Search results for: grain boundary energy

Authors: Parveen Kumar, J. K. Juneja, Chandra Prakash, K. K. Raina

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A series of polycrystalline ferroelectric ceramics with compositional formula Ba0.80-xSmxPb0.20Ti0.90Zr0.10O3 with x varying from 0 to 0.01 in the steps of 0.0025 has been prepared by solid state reaction method. The dielectric constant and tangent loss was measured as a function of frequency from 100Hz to 1MHz at different temperatures (200-500oC). The electrical behavior was then investigated using complex impedance spectroscopy (CIS) technique. From the CIS study, it has been found that there is a contribution of both grain and grain boundary in the electrical behavior of such ceramics. Grain and grain boundary resistivity and capacitance were calculated at different temperature using CIS technique. The present paper is about the discussion of grain and grain boundary contribution towards the electrical properties of Sm modified BaTiO3 based ceramics at high temperature.

Keywords: grain, grain boundary, impedance, dielectric

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Authors: Gaokai Liu

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The distribution of material grain sizes reflects the strength, fracture, corrosion and other properties, and the grain size can be acquired via the grain boundary. In recent years, the automatic grain boundary detection is widely required instead of complex experimental operations. In this paper, an effective solution is applied to acquire the grain boundary of material images. First, the initial superpixel segmentation result is obtained via a superpixel approach. Then, a region merging method is employed to merge adjacent regions based on certain similarity criterions, the experimental results show that the merging strategy improves the superpixel segmentation result on material datasets.

Keywords: grain boundary detection, image segmentation, material images, region merging

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Authors: Divya Singh, Avinash Parashar

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Due to superior mechanical, creep and nuclear cross section, zirconium and niobium (Zr-Nb) based alloys are commonly used as nuclear materials for the manufacturing of fuel cladding and pressure tubes in nuclear power plants. In this work, symmetrical tilt grain boundary (STGB) structures in α-Zr are studied for their structure and energies along two tilt axes- [0001] and [0-110] using MD based simulations. Tilt grain boundaries are obtained along [0001] tilt axis, and special twin structures are obtained along [0-110] tilt axis in α-Zr. For Nb, STGBs are constructed along [100] and [110] axis using atomistic simulations. The correlation between GB structures and their energies is subsequently examined. A close relationship is found to exist between individual GB structure and its energy in both α-Zr and Nb. It is also concluded that the energies of the more coherent twin grain boundaries are lower than the symmetrical tilt grain boundaries.

Keywords: grain boundaries, molecular dynamics, grain boundary energy, hcp crystal

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Authors: Sneha Samal, Iva Petrikova, Bohdana Marvalova

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Influence of grain size, shape and grain boundary diffusion at high temperature oxidation of pure metal is investigated as the function of microstructure evolution in this article. The oxidized scale depends on the geometrical parameter of the metal-scale system and grain shape, size, diffusion through boundary layers and influence of the contamination. The creation of the inner layer and the morphological structure develops from the internal stress generated during the growth of the scale. The oxidation rate depends on the cation and anion mobile transport of the metal in the inward and outward direction of the diffusion layer. Oxidation rate decreases with decreasing the grain size of the pure metal, whereas zinc deviates from this principle. A strong correlation between the surface roughness evolution, grain size, crystalline properties and oxidation mechanism of the oxidized metal was established.

Keywords: high temperature oxidation, pure metals, grain size, shape and grain boundary

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Authors: Végh Ádám, Mekler Csaba, Dezső András, Szabó Dávid, Stomp Dávid, Kaptay György

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Grain boundary segregation transition (GBST) has been calculated by a thermodynamic model in binary alloys. The method is used on cementite (Fe3C) segregation in base-centered cubic (ferrite) iron (Fe) in the Fe-C binary system. The GBST line is shown in the Fe3C lacking part of the phase diagram with high solvent (Fe) concentration. At a lower solute content (C) or at higher temperature the grain boundary is composed mostly of the solvent atoms (Fe). On higher concentration compared to the GBST line or at lower temperature a phase transformation occurs at the grain boundary, the latter mostly composed of the associates (Fe3C). These low-segregation and high-segregation states are first order interfacial phase transitions of the grain boundary and can be transformed into each other reversibly. These occur when the GBST line is crossed by changing the bulk composition or temperature.

Keywords: GBST, cementite, segregation, Fe-C alloy

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Authors: Mounir Gaci, Salim Meziani, Atmane Fouathia

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The purpose of the present paper is to model the behavior of metal alloy, type TRIP steel (Transformation Induced Plasticity), during solid/solid phase transition. A two-dimensional micromechanical model is implemented in finite element software (ZEBULON) to simulate the martensitic transformation in Fe-Ni-C steel grain under mechanical tensile stress of 250 MPa. The effects of non-uniform grain boundary and the criterion of mechanical shear load on the transformation and on the TRIP value during martensitic transformation are studied. The suggested mechanical criterion is favourable to the influence of the shear phenomenon on the progression of the martensitic transformation (Magee’s mechanism). The obtained results are in satisfactory agreement with experimental ones and show the influence of the grain boundary shape and the chosen mechanical criterion (SMF) on the transformation parameters.

Keywords: martensitic transformation, non-uniform Grain Boundary, TRIP, shear Mechanical force (SMF)

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Authors: Mohsen Sanayei, Jerzy Szpunar

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The present study investigates the effects of deformation strain and annealing temperature on the formation of twin boundaries, deformation and recrystallization texture evolution and grain boundary networks and connectivity. The resulting microstructures were characterized using Electron Backscatter Diffraction (EBSD) and X-Ray Diffraction (XRD) both immediately following small amount of deformation and after short time annealing at high temperature to correlate the micro and macro texture evolution of these alloys. Furthermore, this study showed that the process of grain boundary engineering, consisting cycles of deformation and annealing, is found to substantially reduce the mass and size of random boundaries and increase the proportion of low Coincidence Site Lattice (CSL) grain boundaries.

Keywords: coincidence site lattice, grain boundary engineering, electron backscatter diffraction, texture, x-ray diffraction

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Authors: Wenqian Zhang, Xuelin Wang, Yujin Hu, Siyang Wang

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The subsurface layer of a component plays a significant role in its service performance. Any surface mechanical process during fabrication can introduce a deformed layer near the surface, which can be related to the microstructure alteration and strain hardening, and affects the mechanical properties and corrosion resistance of the material. However, there exists a great difficulty in determining the subsurface deformation induced by surface machining. In this study, electron backscatter diffraction (EBSD) was used to study the deformed layer of surface milled 316 stainless steel. The microstructure change was displayed by the EBSD maps and characterized by misorientation variation. The results revealed that the surface milling resulted in heavily nonuniform deformations in the subsurface layer and even in individual grains. The direction of the predominant grain deformation was about 30-60 deg to the machined surface. Moreover, a local deformation rate (LDR) was proposed to quantitatively evaluate the local deformation degree. Both of the average and maximum LDRs were utilized to characterize the deformation trend along the depth direction. It was revealed that the LDR had a strong correlation with the development of grain and sub-grain boundaries. In this work, a scan step size of 1.2 μm was chosen for the EBSD measurement. A LDR higher than 18 deg/μm indicated a newly developed grain boundary, while a LDR ranged from 2.4 to 18 deg/μm implied the generation of a sub-grain boundary. And a lower LDR than 2.4 deg/μm could only introduce a slighter deformation and no sub-grain boundary was produced. According to the LDR analysis with the evolution of grain or sub grain boundaries, the deformed layer could be classified into four zones: grain broken layer, seriously deformed layer, slightly deformed layer and non-deformed layer.

Keywords: surface machining, EBSD, subsurface layer, local deformation

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Authors: A. Kalaei, A. H. W. Ngan

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In this study, a mesoscopic continuum dislocation dynamics (CDD) approach is applied to simulate the intergranular slip transfer. The CDD scheme applies an efficient kinematics equation to model the evolution of the “all-dislocation density,” which is the line-length of dislocations of each character per unit volume. As the consideration of every dislocation line can be a limiter for the simulation of slip transfer in large scales with a large quantity of participating dislocations, a coarse-grained, extensive description of dislocations in terms of their density is utilized to resolve the effect of collective motion of dislocation lines. For dynamics closure, namely, to obtain the dislocation velocity from a velocity law involving the effective glide stress, mutual elastic interaction of dislocations is calculated using Mura’s equation after singularity removal at the core of dislocation lines. The developed scheme for slip transfer can therefore resolve the effects of the elastic interaction and pile-up of dislocations, which are important physics omitted in coarser models like crystal plasticity finite element methods (CPFEMs). Also, the length and timescales of the simulationareconsiderably larger than those in molecular dynamics (MD) and discrete dislocation dynamics (DDD) models. The present work successfully simulates that, as dislocation density piles up in front of a grain boundary, the elastic stress on the other side increases, leading to dislocation nucleation and stress relaxation when the local glide stress exceeds the operation stress of dislocation sources seeded on the other side of the grain boundary. More importantly, the simulation verifiesa phenomenological misorientation factor often used by experimentalists, namely, the ease of slip transfer increases with the product of the cosines of misorientation angles of slip-plane normals and slip directions on either side of the grain boundary. Furthermore, to investigate the effects of the critical stress-intensity factor of the grain boundary, dislocation density sources are seeded at different distances from the grain boundary, and the critical applied stress to make slip transfer happen is studied.

Keywords: grain boundary, dislocation dynamics, slip transfer, elastic stress

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Authors: Shafique Qadir Memon, Muhammad Safar Mirjat, Abdul Quadir Mughal, Nadeem Amjad

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The aims of this study were to determine direct input energy and indirect energy in maize production, to evaluate the inputs energy consumption and outputs energy gained for maize production in Islamabad, Pakistan for spring 2013. Results showed that grain yield was maximum under deep tillage as compared to conventional and zero tillage. Total energy input/output were maximum in deep tillage as compared to conventional tillage while lowest in zero tillage, net energy gain were found maximum under deep tillage.

Keywords: tillage, energy, grain yield, net energy gain

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Authors: Haiming Wen

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Grain growth is an important and consequential phenomenon that generally occurs in the presence of thermal and/or stress/strain fields. Thermally activated grain growth has been extensively studied and similarly, there are numerous experimental and theoretical studies published describing stress-induced grain growth in single-phase materials. However, studies on grain growth during the simultaneous presence of an elevated temperature and an external stress are very limited, and moreover, grain growth phenomena in materials containing second-phase particles and solute segregation at GBs have received limited attention. This lecture reports on a study of grain growth in the presence of second-phase particles and solute/impurity segregation at grain boundaries (GBs) during high-temperature deformation of an ultra-fine grained (UFG) Al alloy synthesized via consolidation of mechanically milled powders. The mechanisms underlying the grain growth were identified as GB migration and grain rotation, which were accompanied by dynamic recovery and geometric dynamic recrystallization, while discontinuous dynamic recrystallization was not operative. A theoretical framework that incorporates the influence of second-phase particles and solute/impurity segregation at GBs on grain growth in presence of both elevated temperature and external stress is formulated and discussed. The effect of second-phase particles and solute/impurity segregation at GBs on GB migration and grain rotation was quantified using the proposed theoretical framework, indicating that both second-phase particles and solutes/impurities segregated GBs reduce the velocities of GB migration and grain rotation as compared to those in commercially pure Al. Our results suggest that grain growth predicted by the proposed theoretical framework is in agreement with experimental results. Hence, the developed theoretical framework can be applied to quantify grain growth in simultaneous presence of external stress, elevated temperature, GB segregation and second-phase particles, or in presence of one or more of the aforementioned factors.

Keywords: nanocrystalline materials, ultra-fine grained materials, grain growth, grain boundary migration, grain rotation

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Authors: Li Long, Thomas Ortlepp

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The transport properties of carriers in polycrystalline silicon film affect the performance of polycrystalline silicon-based devices. They depend strongly on the grain structure, grain boundary trap properties and doping concentration, which in turn are determined by the film deposition and processing conditions. Based on the properties of charge carriers, phonons, grain boundaries and their interactions, the thermoelectric properties of polycrystalline silicon are analyzed with the relaxation time approximation of the Boltz- mann transport equation. With this approach, thermal conductivity, electrical conductivity and Seebeck coefficient as a function of grain size, trap properties and doping concentration can be determined. Experiment on heavily doped polycrystalline silicon is carried out and measurement results are compared with the model.

Keywords: conductivity, polycrystalline silicon, relaxation time approximation, Seebeck coefficient, thermoelectric property

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Authors: Angel Fabian Mijangos, Jaime Alvarez Quintana

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Waste heat occurs in many areas of daily life because world’s energy consumption is inefficient. In general, generating 1 watt of power requires about 3 watt of energy input and involves dumping into the environment the equivalent of about 2 watts of power in the form of heat. Therefore, an attractive and sustainable solution to the energy problem would be the development of highly efficient thermoelectric devices which could help to recover this waste heat. This work presents the influence on the thermoelectric properties of metallic, semiconducting, and dielectric nanoparticles added into the grain boundaries of polycrystalline antimony (Sb) and bismuth (Bi) matrixes in order to obtain p- and n-type thermoelectric materials, respectively, by hot pressing methods. Results show that thermoelectric properties are significantly affected by the electrical and thermal nature as well as concentration of nanoparticles. Nevertheless, by optimizing the amount of the nanoparticles on the grain boundaries, an oscillatory behavior in ZT as function of the concentration of the nanoscale constituents is present. This effect is due to energy filtering mechanism which module the quantity of charge transport in the system and affects thermoelectric properties. Accordingly, a ZTmax can be accomplished through the addition of the appropriate amount of nanoparticles into the grain boundaries region. In this case, till three orders of amelioration on ZT is reached in both systems compared with the reference sample of each one. This approach paves the way to pursuit high performance thermoelectric materials in a simple way and opens a new route towards the enhancement of the thermoelectric figure of merit.

Keywords: energy filtering, grain boundaries, thermoelectric, nanostructured materials

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Authors: Prangya P. Sahoo, B. S. Murty

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The present study deals with phase evolution of oxide dispersed CoCrFeMnNi high entropy alloy as a function of amount of added Y2O3 during mechanical alloying and analysis of grain growth kinetics of CoCrFeMnNi high entropy alloy without and with oxide dispersion. Mechanical alloying of CoCrFeMnNi resulted in a single FCC phase. However, evolution of chromium carbide was observed after heat treatment between 1073 and 1473 K. Comparison of grain growth time exponents and activation energy barrier is also reported. Micro structural investigations, using electron microscopy and EBSD techniques, were carried out to confirm the enhanced grain growth resistance which is attributed to the presence oxide dispersoids.

Keywords: grain growth kinetics, mechanical alloying, oxide dispersion, phase evolution

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Authors: Yongxu Fu, Shaolong Wan

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We study the band degeneracy, defectiveness, as well as exceptional points of non-Hermitian systems and materials analytically. We elaborate on the energy bands, the band degeneracy, and the defectiveness of eigenstates under open boundary conditions based on developing a general theory of one-dimensional (1D) non-Hermitian systems. We research the presence of the exceptional points in a generalized non-Hermitian Su-Schrieffer-Heeger model under open boundary conditions. Beyond our general theory, there exist infernal points in 1D non-Hermitian systems, where the energy spectra under open boundary conditions converge on some discrete energy values. We study two 1D non-Hermitian models with the existence of infernal points. We generalize the infernal points to the infernal knots in four-dimensional non-Hermitian systems.

Keywords: non-hermitian, degeneracy, defectiveness, exceptional points, infernal points

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Authors: Raghvendra Singh Yadav, Ivo Kuřitka, Jarmila Vilcakova, Pavel Urbanek, Michal Machovsky, Milan Masař, Martin Holek

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ZnFe2O4 spinel ferrite nanoparticles were synthesized by sol-gel auto-combustion method. The synthesized spinel ferrite nanoparticles were annealed at different higher temperature to achieve different size nanoparticles. The as synthesized and annealed samples were characterized by powder X-ray Diffraction Spectroscopy, Raman Spectroscopy, Fourier Transform Infrared Spectroscopy, UV-Vis absorption Spectroscopy and Scanning Electron Microscopy. The magnetic properties were studied by vibrating sample magnetometer. The variation in magnetic parameters was noticed with variation in grain size. The dielectric constant and dielectric loss with variation of frequency shows normal behaviour of spinel ferrite. The variation in conductivity with variation in grain size is noticed. Modulus and Impedance Spectroscopy shows the role of grain and grain boundary on the electrical resistance and capacitance of different grain sized spinel ferrite nanoparticles. Acknowledgment: This work was supported by the Ministry of Education, Youth and Sports of the Czech Republic – Program NPU I (LO1504).

Keywords: spinel ferrite, nanoparticles, magnetic properties, dielectric properties

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Authors: Matthew F. Gibson, Narasimha D. Rao, Raphael B. Slade, Joana Portugal Pereira, Joeri Rogelj

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Globally, India’s population is among the most severely impacted by nutrient deficiency, yet millions of tonnes of food are lost before reaching consumers. Across food groups, grains represent the largest share of daily calories and overall losses by mass in India. If current losses remain unresolved and follow projected population rates, we estimate, by 2030, losses from grains for human consumption could increase by 1.3-1.8 million tonnes (Mt) per year against current levels of ~10 Mt per year. This study quantifies energy input to minimise storage losses across India, responsible for a quarter of grain supply chain losses. In doing so, we identify and explore a Sustainable Development Goal (SDG) triplet between SDG₂, SDG₇, and SDG₁₂ and provide insight for development of joined up agriculture and health policy in the country. Analyzing rice, wheat, maize, bajra, and sorghum, we quantify one route to reduce losses in supply chains, by modelling the energy input to maintain favorable climatic conditions in modern silo storage. We quantify key nutrients (calories, protein, zinc, iron, vitamin A) contained within these losses and calculate roughly how much deficiency in these dietary components could be reduced if grain losses were eliminated. Our modelling indicates, with appropriate uncertainty, maize has the highest energy input intensity for storage, at 110 kWh per tonne of grain (kWh/t), and wheat the lowest (72 kWh/t). This energy trade-off represents 8%-16% of the energy input required in grain production. We estimate if grain losses across the supply chain were saved and targeted to India’s nutritionally deficient population, average protein deficiency could reduce by 46%, calorie by 27%, zinc by 26%, and iron by 11%. This study offers insight for development of Indian agriculture, food, and health policy by first quantifying and then presenting benefits and trade-offs of tackling food grain losses.

Keywords: energy, food loss, grain storage, hunger, India, sustainable development goal, SDG

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Authors: Tim Dunne, Jiaxiang Ren, Lei Zhao, Peng Cheng, Yi Song, Yu Liu, Wenhan Yue, Xiongwen Yang

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Two decades of the Shale Revolution has transforming transformed the global energy market, in part by the adaption of multi-stage dissolvable frac plugs. Magnesium has been favored for the bulk of plugs, requiring development of materials to suit specific field requirements. Herein, the mechanical and dissolution results from equal channel angular pressing (ECAP) of two cast dissolvable magnesium alloy are described. ECAP was selected as a route to increase the mechanical properties of two formulations of dissolvable magnesium, as solutionizing failed. In this study, 1” square cross section samples cast Mg alloys formulations containing rare earth were processed at temperatures ranging from 200 to 350 °C, at a rate of 0.005”/s, with a backpressure from 0 to 70 MPa, in a brass, or brass + graphite sheet. Generally, the yield and ultimate tensile strength (UTS) doubled for all. For formulation DM-2, the yield increased from 100 MPa to 250 MPa; UTS from 175 MPa to 325 MPa, but the strain fell from 2 to 1%. Formulation DM-3 yield increased from 75 MPa to 200 MPa, UTS from 150 MPa to 275 MPa, with strain increasing from 1 to 3%. Meanwhile, ECAP has also been found to reduce the dissolution rate significantly. A microstructural analysis showed grain refinement of the alloy and the movement of secondary phases away from the grain boundary. It is believed that reconfiguration of the grain boundary phases increased the mechanical properties and decreased the dissolution rate. ECAP processing of dissolvable high rare earth content magnesium is possible despite the brittleness of the material. ECAP is a possible processing route to increase mechanical properties for dissolvable aluminum alloys that do not extrude.

Keywords: equal channel angular processing, dissolvable magnesium, frac plug, mechanical properties

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Authors: Chen Xiong, Tong Xin, Li Hao, Xu Jin-Sheng

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Experiment and simulation researches on the structural integrity of propellant grain in solid rocket motor (SRM) with high volumetric fraction were conducted. First, by using SRM parametric modeling functions with secondary development tool Python of ABAQUS, the three dimensional parameterized modeling programs of star shaped grain, wheel shaped grain and wing cylindrical grain were accomplished. Then, the mechanical properties under different loads for star shaped grain were obtained with the application of automatically established finite element model in ABAQUS. Next, several optimization algorithms are introduced to optimize the star shaped grain, wheel shaped grain and wing cylindrical grain. After meeting the demands of burning surface changes and volumetric fraction, the optimum three dimensional shapes of grain were obtained. Finally, by means of parametric modeling functions, pressure data of SRM’s cold pressurization test was directly applied to simulation of grain in terms of mechanical performance. The results verify the reliability and practical of parameterized modeling program of SRM.

Keywords: cold pressurization test, ğarametric modeling, structural integrity, propellant grain, SRM

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Authors: Xu Runzhang, Yang Yanbing, Niu Yi, Zhang Mingyou, Liu Yu

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For a class of semilinear parabolic equations with linear dynamical boundary conditions in a bounded domain, we obtain both global solutions and finite time blow-up solutions when the initial data varies in the phase space H1(Ω). Our main tools are the comparison principle, the potential well method and the concavity method. In particular, we discuss the behavior of the solutions with the initial data at critical and high energy level.

Keywords: high energy level, critical energy level, linear dynamical boundary condition, semilinear parabolic equation

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Authors: Mira Zhonyssova, Nurlaym Ongarbayeva, Makpal Atykhanova

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Indicators of quality of grain chickpeas, the absorption of water different temperatures by grain chickpeas studied. Organoleptic and physicochemical changes in the germination of chickpeas studied. The total time of the duration of germination of chickpea grain is determined. As a result of the analysis of experimental data, it was found that the germination time at which the chickpea sprout length was 0.5- 3 mm varies from 21 to 25 hours. The change in the volume of chickpea grain during germination was investigated. It was found that in the first 2 hours the volume of chickpeas changes slightly – by 38%. This is due to the process of adsorption of water to a critical state. From 2 to 9 hours, the process of swelling of chickpea grain is observed – the vital activity of cells increases, enzymatic systems become active, the respiratory coefficient increases; gibberellin, stimulating the formation of a number of enzymes, is released. During this period, there is a sharp increase in the volume of chickpea grains – up to 138%. From 9 to 19 hours, “sprouting” of chickpea grains is observed, no morphological changes occur in the corcule – the grain volume remains at 138%. From 19 hours, the grain growth process begins, while the grain volume increases by 143%.

Keywords: chickpea, seeds, legumes, germination, physic-chemical properties

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Authors: Almostafa Abdelaziz, Liang Guozhu, Anwer Elsayed

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The determination of grain geometry is an important and critical step in the design of solid propellant rocket motor. In this study, the design process involved parametric geometry modeling in CAD, MATLAB coding of performance prediction and 2D star grain ignition experiment. The 2D star grain burnback achieved by creating new surface via each web increment and calculating geometrical properties at each step. The 2D star grain is further modified to burn as a tapered 3D star grain. Zero dimensional method used to calculate the internal ballistic performance. Experimental and theoretical results were compared in order to validate the performance prediction of the solid rocket motor. The results show that the usage of 3D grain geometry will decrease the pressure inside the combustion chamber and enhance the volumetric loading ratio.

Keywords: burnback analysis, rocket motor, star grain, three dimensional grains

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Authors: K. R. Phaneesh, Anirudh Bhat, G. Mukherjee, K. T. Kashyap

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Extensive Monte Carlo Potts model simulations were performed on 2D square lattice to investigate the effects of simulated higher temperatures effects on grain growth kinetics. A range of simulation temperatures (KTs) were applied on a matrix of size 10002 with Q-state 64, dispersed with a wide range of second phase particles, ranging from 0.001 to 0.1, and then run to 100,000 Monte Carlo steps. The average grain size, the largest grain size and the grain growth exponent were evaluated for all particle fractions and simulated temperatures. After evaluating several growth parameters, the critical temperature for a square lattice, with eight nearest neighbors, was found to be KTs = 0.4.

Keywords: average grain size, critical temperature, grain growth exponent, Monte Carlo steps

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Authors: Kunj Parikh, S. Bhattacharya, V. Natarajan

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TCAD numerical simulation is one of the most tried and tested powerful tools for designing devices in semiconductor foundries worldwide. It has also been used to explain conduction in organic thin films where the processing temperature is often enough to make homogeneous samples (often imperfect, but homogeneously imperfect). In this report, we have presented the results of TCAD simulation in multi-grain thin films. The work has addressed the inhomogeneity in one dimension, but can easily be extended to two and three dimensions. The effect of grain boundaries has mainly been approximated as barriers located at the junction between two adjacent grains. The effect of the value of grain boundary barrier, the bulk traps, and the measurement temperature have been investigated.

Keywords: polycrystalline thin films, space charge limited conduction, Technology Computer-Aided Design (TCAD) simulation, traps

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Authors: Umer Masood Chaudry, Hafiz Muhammad Rehan Tariq, Chung-soo Kim, Tea-sung Jun

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This study explored the influence of pre-stretching temperature on the microstructural characteristics and deformation behavior of AZ61 magnesium alloy and its implications on grain growth during subsequent annealing. AZ61 alloy was stretched to 5% plastic strain along rolling (RD) and transverse direction (TD) at room (RT) and cryogenic temperature (-150 oC, CT) followed by annealing at 320 oC for 1 h to investigate the twinning and dislocation evolution and its consequent effect on the flow stress, plastic strain and strain hardening rate. Compared to RT-stretched samples, significant improvement in yield stress, strain hardening rate and moderate reduction in elongation to failure were witnessed for CT-stretched samples along RD and TD. The subsequent EBSD analysis revealed the increased fraction of fine {10-12} twins and nucleation of multiple {10-12} twin variants caused by higher local stress concentration at the grain boundaries in CT-stretched samples as manifested by the kernel average misorientation. This higher twin fraction and twin-twin interaction imposed the strengthening by restricting the mean free path of dislocations, leading to higher flow stress and strain hardening rate. During annealing of the RT/CT-stretched samples, the residual strain energy and twin boundaries were decreased due to static recovery, leading to a coarse-grained twin-free microstructure. Strain induced boundary migration (SBIM) was found to be the predominant mechanism governing the grain growth during annealing via movement of high angle grain boundaries.

Keywords: magnesium, twinning, twinning variant selection, EBSD, cryogenic deformation

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Authors: Shamsul Chowdhury

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The objective of this paper is to present the detailed analysis of the turbulent wave boundary layer produced by progressive finite-amplitude waves theory. Most of the works have done for the mass transport in the turbulent boundary layer assuming the eddy viscosity is not time varying, where the sediment movement is induced by the mean velocity. Near the ocean bottom, the waves produce a thin turbulent boundary layer, where the flow is highly rotational, and shear stress associated with the fluid motion cannot be neglected. The magnitude and the predominant direction of the sediment transport near the bottom are known to be closely related to the flow in the wave induced boundary layer. The magnitude of water particle velocity at the Crest phase differs from the one of the Trough phases due to the non-linearity of the waves, which plays an important role to determine the sediment movement. The non-linearity of the waves become predominant in the surf zone area, where the sediment movement occurs vigorously. Therefore, in order to describe the flow near the bottom and relationship between the flow and the movement of the sediment, the analysis was done using the non-linear boundary layer equation and the finite amplitude wave theory was applied to represent the velocity fields in the turbulent wave boundary layer. At first, the calculation was done for turbulent wave boundary layer by two-dimensional model where throughout the calculation is non-linear. But Stokes second order wave profile is adopted at the upper boundary. The calculated profile was compared with the experimental data. Finally, the calculation is done based on various modes of the velocity and turbulent energy. The mean velocity is found to differ from condition of the relative depth and the roughness. It is also found that due to non-linearity, the absolute value for velocity and turbulent energy as well as Reynolds stress are asymmetric. The mean velocity of the laminar boundary layer is always positive but in the turbulent boundary layer plays a very complicated role.

Keywords: wave boundary, mass transport, mean velocity, shear stress

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Authors: Suleiman Bashir Adamu, Lawan Sani Taura

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We study the role of boundary conditions via -symmetric quantum mechanics, where denotes parity operator and denotes time reversal operator. Using the one-dimensional Schrödinger Hamiltonian for a free particle in an infinite square well, we introduce symmetric boundary conditions. We find solutions of the 1D Klein-Gordon equation for a free particle in an infinite square well with Hermitian boundary and symmetry boundary conditions, where in both cases the energy eigenvalues and eigenfunction, respectively, are obtained.

Keywords: Eigenvalues, Eigenfunction, Hamiltonian, Klein- Gordon equation, PT-symmetric quantum mechanics

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Authors: Shatha A. Yousif, Hatem Jasim, Ali R. Abas, Dheya P. Yousef

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To study the effect of the cross direction in bead wheat, three hybrid combinations (Babyle 113 , Iratome), (Sawa , Tamose2) and (Al Hashymya Al Iraq) were tested for plant height, number of tillers/m, number of grains per spike, weight of grains per spike, 1000-grain weight and grain yield. The results revealed that the direction of the cross had significant effect the number of grain/spike, tillers/m and grain yields. Grain yield was positively and significantly correlated with 1000-grain weight, number of grains per spike and tillers. Depend on the result of heritability and genetic advance it was suggested that 1000-grain weight number of grains per spike and tillers should be given emphasis for future wheat yield improvement programs.

Keywords: correlation, genetic advance, heritability, wheat, yield traits

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Authors: Bastola Narayan, Rajeev Ranjan

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The morphotropic phase boundary (MPB) in the magnetoelectric (1-x)BiFeO3-(x)PbTiO3 has remained a matter of controversy ever since its discovery in 1964. The nature of the phase stabilized (single phase tetragonal or coexistence of tetragonal and rhombohedral phases) is very sensitive to the slight changes in the synthesis conditions. It thus remained an enigma as to what is the essential physical factor which is controlled by the slight difference in the synthesis conditions that finally determines, whether the phase formed will be single phase or coexistence of phases. In this paper, we demonstrate that the nature of the phase stabilized in this system is uniquely dependent on the crystallite size. The system is shown to exhibit features of abnormal grain growth (AGG) during sintering with abrupt increase in the grain size from ~ 1 micron to ~ 10 microns. The 10 micron grains exhibit pure tetragonal phase while the 1 micron grains exhibit coexistence of rhombohedral and tetragonal ferroelectric phases. The Rietveld analysis of powder neutron diffraction shows a paramagnetic to antiferromagnetic order transition inducing with crystalline size reduction from 10 micron to 1 micron. Since tetragonal phase is known to have paramagnetic order and rhombohedral phase has antiferromagnetic order in room temperature, this further strengthens our argument of size induced structure transition.

Keywords: size driven MPB, size driven magnetic ordering, abnormal grain growth, phase formation in BF-PT system

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Authors: Vijay Khopkar, Balaram Sahoo

Abstract:

Material with high value of dielectric constant has application in the electronics devices. Existing lead based materials have issues such as toxicity and problem with synthesis procedure. Double perovskite structured barium iron niobate (BaFe0.5Nb0.5O3, BFN) is the lead-free material, showing a high value of dielectric constant. Origin of high value of the dielectric constant in BFN is not clear. We studied the dielectric behavior of polycrystalline BFN sample over wide temperature and frequency range. A BFN sample synthesis by conventional solid states reaction method and phase pure dens pellet was used for dielectric study. The SEM and TEM study shows the presence of grain and grain boundary region. The dielectric measurement was done between frequency range of 40 Hz to 5 MHz and temperature between 20 K to 500 K. At 500 K temperature and lower frequency, there observed high value of dielectric constant which decreases with increase in frequency. The dipolar relaxation follows non-Debye type polarization with relaxation straight of 3560 at room temperature (300 K). Activation energy calculated from the dielectric and modulus formalism found to be 17.26 meV and 2.74 meV corresponds to the energy required for the motion of Fe3+ and Nb5+ ions within the oxygen octahedra. Our study shows that BFN is the order disorder type ferroelectric material.

Keywords: barium iron niobate, dielectric, ferroelectric, non-Debye

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