Search results for: Aerodynamic interaction

Authors: Abdelazim Makki Ibrahim, Esamaldeen Ali

Abstract:

This study aims at analysing the load settlement behavior and predict the bearing capacity of piled raft foundation a series of finite element models with different foundation configurations and stiffness were established. Numerical modeling is used to study the behavior of the piled raft foundation due to the complexity of piles, raft, and soil interaction and also due to the lack of reliable analytical method that can predict the behavior of the piled raft foundation system. Simple analytical models are developed to predict the average settlement and the load sharing between the piles and the raft in piled raft foundation system. A simple example to demonstrate the applications of these charts is included.

Keywords: Finite element, pile-raft foundation, method, PLAXIS software, settlement.

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Authors: Priyadharshini Ahrumugam

Abstract:

Cooperative groups through much research have been recognized to churn remarkable achievements instead of solitary or individualistic efforts. Based on Johnson and Johnson’s model of cooperative learning, the five key components of cooperation are positive interdependence, face-to-face promotive interaction, individual accountability, social skills, and group processing. In 2011, the Malaysian Ministry of Higher Education (MOHE) introduced the Holistic Student Development policy with the aim to develop morally sound individuals equipped with lifelong learning skills. The Community Service project was included in the improvement initiative. The purpose of this study is to assess the relationship of team-based learning in facilitating particularly students’ positive interdependence and face-to-face promotive interaction. The research methods involve in-depth interviews with the team leaders and selected team members, and a content analysis of the undergraduate students’ reflective journals. A significant positive relationship was found between students’ progressive outlook towards teamwork and the highlighted two components. The key findings show that students have gained in their individual learning and work results through teamwork and interaction with other students. The inclusion of Community Service as a MOHE subject resonates with cooperative learning methods that enhances supportive relationships and develops students’ social skills together with their professional skills.

Keywords: Community service, cooperative learning, positive interdependence, teamwork.

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Authors: Tugce Ercan

Abstract:

This research study aims to identify the impact of two factors –growth and competitive strategies- on a set of building production innovation strategies. It was conducted a questionery survey to collect data from construction professionals and it was asked them the importance level of predicted innovation strategies for corporate strategies. Multiple analysis of variance (MANOVA) was employed to see the main and interaction effects of corporate strategies on building innovation strategies. The results indicate that growth strategies such as entering in a new a market or new project types has a greater effect on innovation strategies rather than competitive strategies such as cost leadership or differentiation strategies. However the interaction effect of competitive strategies and growth strategies on innovation strategies is much bigger than the only effect of competitive strategies. It was also analyzed the descriptive statistics of innovation strategies for different competitive and growth strategy types.

Keywords: competitive strategy, growth strategy, innovation, construction company, MANOVA

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Authors: Mahshid Kakouei, Mina Kakouei, Kumaran Suberamanian, Sabzali Musa Kahn, Afshin Jahangirzadeh, Shatirah Akib

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Human always tried to create a suitable situation for their life according to environmental conditions. In fact, geography has an important role in the shape of our living area. Iran also as a four-season country has different climate type: hot and humid, hot and dry, mid and humid, and cold; therefore, we can find different architecture styles in Iran. Gilan-s traditional architecture is a suitable sample of sustainable construction in Iran. Because the main factors of every dwelling are the climatic, social, economic and cultural effects which demonstrate the interaction between environment and people settlement. This paper was determined the interaction between environmental factors and the rural dwellings in the Gilan province. Also, traditional village (city) of Masouleh as a rare sample of rural and sustainable architecture was introduced.

Keywords: Masouleh, Traditional architecture, vernacular materials, sustainable architecture.

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Authors: Peter Križan, Juraj Beniak, Ľubomír Šooš, Miloš Matúš

Abstract:

Biomass treatment through densification is very suitable and helpful technology before its effective energy recovery. Densification process of biomass is significantly influenced by various technological and material variables, which are ultimately reflected on the final solid biofuels quality. The paper deals with the experimental research of the relationship between technological and material variables during densification of fast-growing trees, roundly fast-growing willows. The main goal of presented experimental research is to determine the relationship between compression pressure and raw material particle size from a final briquettes density point of view. Experimental research was realized by single-axis densification. The impact of particle size with interaction of compression pressure and stabilization time on the quality properties of briquettes was determined. These variables interaction affects the final solid biofuels (briquettes) quality. From briquettes production point of view and from densification machines constructions point of view is very important to know about mutual interaction of these variables on final briquettes quality. The experimental findings presented here are showing the importance of mentioned variables during the densification process. 

Keywords: Briquettes density, densification, particle size, compression pressure, stabilization time.

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Authors: Yang Li, Xiaorong Guan, Cheng Xu

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In order to design a suitable control scheme for human extremity exoskeleton, the interaction force control scheme with traditional PI controller was presented, and the simulation study of the electromechanical system of the human extremity exoskeleton was carried out by using a MATLAB/Simulink module. By analyzing the simulation calculation results, it was shown that the traditional PI controller is not very suitable for every movement speed of human body. So, at last the fuzzy self-adaptive PI controller was presented to solve this problem. Eventually, the superiority and feasibility of the fuzzy self-adaptive PI controller was proved by the simulation results and experimental results.

Keywords: Human extremity exoskeleton, interaction force control scheme, simulation study, fuzzy self-adaptive pi controller, man-machine coordinated walking, bear payload.

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Authors: Zhiying Zhang, Chongdu Cho

Abstract:

Accurate evaluation of damping ratios involving soilstructure interaction (SSI) effects is the prerequisite for seismic design of in-situ buildings. This study proposes a combined approach to identify damping ratios of SSI systems based on ambient excitation technique. The proposed approach is illustrated with main test process, sampling principle and algorithm steps through an engineering example, as along with its feasibility and validity. The proposed approach is employed for damping ratio identification of 82 buildings in Xi-an, China. Based on the experimental data, the variation range and tendency of damping ratios of these SSI systems, along with the preliminary influence factor, are shown and discussed. In addition, a fitting curve indicates the relation between the damping ratio and fundamental natural period of SSI system.

Keywords: Damping ratio, seismic design, soil-structure interaction, system parameter identification.

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Authors: S. Golmohammadi, M. Noorian Bidgoli

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Because the status and mechanical parameters of discontinuities in the rock mass are included in the calculations, various methods of rock engineering classification are often used as a starting point for the design of different types of structures. The Q-system is one of the most frequently used methods for stability analysis and determination of support systems of underground structures in rock, including tunnel. In this method, six main parameters of the rock mass, namely, the Rock Quality Designation (RQD), joint set number (Jn), joint roughness number (Jr), joint alteration number (Ja), joint water parameter (Jw) and Stress Reduction Factor (SRF) are required. In this regard, in order to achieve a reasonable and optimal design, identifying the effective parameters for the stability of the mentioned structures is one of the most important goals and the most necessary actions in rock engineering. Therefore, it is necessary to study the relationships between the parameters of a system and how they interact with each other and, ultimately, the whole system. In this research, it has been attempted to determine the most effective parameters (key parameters) from the six parameters of rock mass in the Q-system using the Rock Engineering System (RES) method to improve the relationships between the parameters in the calculation of the Q value. The RES system is, in fact, a method by which one can determine the degree of cause and effect of a system's parameters by making an interaction matrix. In this research, the geomechanical data collected from the water conveyor tunnel of Azad Dam were used to make the interaction matrix of the Q-system. For this purpose, instead of using the conventional methods that are always accompanied by defects such as uncertainty, the Q-system interaction matrix is coded using a technique that is actually a statistical analysis of the data and determining the correlation coefficient between them. So, the effect of each parameter on the system is evaluated with greater certainty. The results of this study show that the formed interaction matrix provides a reasonable estimate of the effective parameters in the Q-system. Among the six parameters of the Q-system, the SRF and Jr parameters have the maximum and minimum impact on the system, respectively, and also the RQD and Jw parameters have the maximum and minimum impact on the system, respectively. Therefore, by developing this method, we can obtain a more accurate relation to the rock mass classification by weighting the required parameters in the Q-system.

Keywords: Q-system, Rock Engineering System, statistical analysis, rock mass, tunnel.

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Authors: Aichun Feng, Zhi-Min Chen, Jing Tang Xing

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A two-dimensional linear wave-body interaction problem can be solved using a desingularized integral method by placing free surface Rankine sources over calm water surface and satisfying boundary conditions at prescribed collocation points on the calm water surface. A new free-surface Rankine source distribution scheme, determined by the intersection points of free surface and body surface, is developed to reduce numerical computation cost. Associated with this, a new treatment is given to the intersection point. The present scheme results are in good agreement with traditional numerical results and measurements.

Keywords: Source point distribution, panel method, Rankine source, desingularized algorithm.

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Authors: M. H. Kargarnovin, A. Mamandi

Abstract:

This paper presents investigation effects of a sharp edged gust on aeroelastic behavior and time-domain response of a typical section model using Jones approximate aerodynamics for pure plunging motion. Flutter analysis has been done by using p and p-k methods developed for presented finite-state aerodynamic model for a typical section model (airfoil). Introduction of gust analysis as a linear set of ordinary differential equations in a simplified procedure has been carried out by using transformation into an eigenvalue problem.

Keywords: Aeroelastic response, jones approximation, pure plunging motion, sharp edged gust.

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Authors: Rashid S. S., Alam M. Z.

Abstract:

A statistical optimization of the saccharification process of EFB was studied. The statistical analysis was done by applying faced centered central composite design (FCCCD) under response surface methodology (RSM). In this investigation, EFB dose, enzyme dose and saccharification period was examined, and the maximum 53.45% (w/w) yield of reducing sugar was found with 4% (w/v) of EFB, 10% (v/v) of enzyme after 120 hours of incubation. It can be calculated that the conversion rate of cellulose content of the substrate is more than 75% (w/w) which can be considered as a remarkable achievement. All the variables, linear, quadratic and interaction coefficient, were found to be highly significant, other than two coefficients, one quadratic and another interaction coefficient. The coefficient of determination (R2) is 0.9898 that confirms a satisfactory data and indicated that approximately 98.98% of the variability in the dependent variable, saccharification of EFB, could be explained by this model.

Keywords: Face centered central composite design (FCCCD), Liquid state bioconversion (LSB), Palm oil mill effluent, Trichoderma reesei RUT C-30.

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Authors: S. Mahdi S. Kolbadi, Ramezan Ali Alvand, Afrasiab Mirzaei

Abstract:

In this study, to investigate and analyze the seismic behavior of concrete in open rectangular water storage tanks in two-dimensional and three-dimensional spaces, the Finite Element Method has been used. Through this method, dynamic responses can be investigated together in fluid storages system. Soil behavior has been simulated using tanks boundary conditions in linear form. In this research, in addition to flexibility of wall, the effects of fluid-structure interaction on seismic response of tanks have been investigated to account for the effects of flexible foundation in linear boundary conditions form, and a dynamic response of rectangular tanks in two-dimensional and three-dimensional spaces using finite element method has been provided. The boundary conditions of both rigid and flexible walls in two-dimensional finite element method have been considered to investigate the effect of wall flexibility on seismic response of fluid and storage system. Furthermore, three-dimensional model of fluid-structure interaction issue together with wall flexibility has been analyzed under the three components of earthquake. The obtained results show that two-dimensional model is also accurately near to the results of three-dimension as well as flexibility of foundation leads to absorb received energy and relative reduction of responses.

Keywords: Dynamic behavior, water storage tank, fluid-structure interaction, flexible wall.

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Authors: M. Raciti Castelli, P. Cioppa, E. Benini

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The flow field around a flat plate of infinite span has been investigated for several values of the angle of attack. Numerical predictions have been compared to experimental measurements, in order to examine the effect of turbulence model and grid resolution on the resultant aerodynamic forces acting on the plate. Also the influence of the free-stream turbulence intensity, at the entrance of the computational domain, has been investigated. A full campaign of simulations has been conducted for three inclination angles (9°, 15° and 30°), in order to obtain some practical guidelines to be used for the simulation of the flow field around inclined plates and discs.

Keywords: CFD, lift, drag, flat plate

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Authors: Nkongho Ayuketang Arreyndip, Ebobenow Joseph

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In this paper, to model a real life wind turbine, a probabilistic approach is proposed to model the dynamics of the blade elements of a small axial wind turbine under extreme stochastic wind speeds conditions. It was found that the power and the torque probability density functions even-dough decreases at these extreme wind speeds but are not infinite. Moreover, we also fund that it is possible to stabilize the power coefficient (stabilizing the output power)above rated wind speeds by turning some control parameters. This method helps to explain the effect of turbulence on the quality and quantity of the harness power and aerodynamic torque.

Keywords: Probability, Stochastic, Probability density function, Turbulence.

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Authors: D. D. Wang, J.C. Lam, Z. H. Mai

Abstract:

Controlled modification of appropriate sharpness for nanotips is of paramount importance to develop novel materials and functional devices at a nanometer resolution. Herein, we present a reliable and unique strategy of laser irradiation enhanced physicochemical etching to manufacture super sharp tungsten tips with reproducible shape and dimension as well as high yields (~80%). The corresponding morphology structure evolution of tungsten tips and laser-tip interaction mechanisms were systematically investigated and discussed using field emission scanning electron microscope (SEM) and physical optics statistics method with different fluences under 532 nm laser irradiation. This work paves the way for exploring more accessible metallic tips applications with tunable apex diameter and aspect ratio, and, furthermore, facilitates the potential sharpening enhancement technique for other materials used in a variety of nanoscale devices.

Keywords: Tungsten tip sharpening, Laser irradiation, Physicochemical etching, Light-matter interaction.

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Authors: F. Tafnout, E. Belut, B. Oesterlé, J.R. Fontaine

Abstract:

As a part of the development of a numerical method of close capture exhausts systems for machining devices, a test rig recreating a situation similar to a grinding operation, but in a perfectly controlled environment, is used. The properties of the obtained spray of solid particles are initially characterized using particle tracking velocimetry (PTV), in order to obtain input and validation parameters for numerical simulations. The dispersion of a tracer gas (SF6) emitted simultaneously with the particle jet is then studied experimentally, as the dispersion of such a gas is representative of that of finer particles, whose aerodynamic response time is negligible. Finally, complete modeling of the test rig is achieved to allow comparison with experimental results and thus to progress towards validation of the models used to describe a twophase flow generated by machining operation.

Keywords: Pollutants, capture, tracer gas, SF6, PTV, numericalmodeling.

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Authors: Daniel Kade, Oğuzhan Özcan, Rikard Lindell

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Motion capturing technology has been used for quite a while and several research has been done within this area. Nevertheless, we discovered open issues within current motion capturing environments. In this paper we provide a state-of-the-art overview of the addressed research areas and show issues with current motion capturing environments. Observations, interviews and questionnaires have been used to reveal the challenges actors are currently facing in a motion capturing environment. Furthermore, the idea to create a more immersive motion capturing environment to improve the acting performances and motion capturing outcomes as a potential solution is introduced. It is hereby the goal to explain the found open issues and the developed ideas which shall serve for further research as a basis. Moreover, a methodology to address the interaction and systems design issues is proposed. A future outcome could be that motion capture actors are able to perform more naturally, especially if using a non-body-worn solution.

Keywords: Immersive acting environment, Interaction in a mediated environment, Motion capturing, MoCap.

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Authors: Buntara Sthenly Gan, Naohiro Kawada

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A simple and easy algorithm is presented for a fast calculation of kernel functions which required in fluid simulations using the Smoothed Particle Hydrodynamic (SPH) method. Present proposed algorithm improves the Linked-list algorithm and adopts the Pair-Wise Interaction technique, which are widely used for evaluating kernel functions in fluid simulations using the SPH method. The algorithm is easy to be implemented without any complexities in programming. Some benchmark examples are used to show the simulation time saved by using the proposed algorithm. Parametric studies on the number of divisions for sub-domains, smoothing length and total amount of particles are conducted to show the effectiveness of the present technique. A compact formulation is proposed for practical usage.

Keywords: Technique, fluid simulation, smoothing particle hydrodynamic (SPH), particle interaction.

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Authors: E. T. L. Cöuras Ford, V. A. C. Vale, J. U. L. Mendes

Abstract:

The simulation in wind tunnel is used thoroughly to model real situations of drainages of air. Besides the automotive industry, a great number of applications can be numbered: dispersion of pollutant, studies of pedestrians’ comfort, and dispersion of particles. This work had the objective of visualizing the characteristics aerodynamics of two automobiles in different ways. To accomplish that drainage of air a fan that generated a speed exists (measured with anemometer of hot thread) of 4,1m/s and 4,95m/s. To visualize the path of the air through the cars, in the wind tunnel, smoke was used, obtained with it burns of vegetable oil. For “to do smoke” vegetable oil was used, that was burned for a tension of 20V generated by a thread of 2,5mm. The cars were placed inside of the wind tunnel with the drainage of “air-smoke” and photographed, registering like this the path lines around them, in the 3 different speeds.

Keywords: Aerodynamics, Vehicle Drag, Wind tunnel.

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Authors: Ilkka Niskanen, Jarmo Kalaoja, Julia Kantorovitch, Toni Piirainen

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Ontologies are broadly used in the context of networked home environments. With ontologies it is possible to define and store context information, as well as to model different kinds of physical environments. Ontologies are central to networked home environments as they carry the meaning. However, ontologies and the OWL language is complex. Several ontology visualization approaches have been developed to enhance the understanding of ontologies. The domain of networked home environments sets some special requirements for the ontology visualization approach. The visualization tool presented here, visualizes ontologies in a domain-specific way. It represents effectively the physical structures and spatial relationships of networked home environments. In addition, it provides extensive interaction possibilities for editing and manipulating the visualization. The tool shortens the gap from beginner to intermediate OWL ontology reader by visualizing instances in their actual locations and making OWL ontologies more interesting and concrete, and above all easier to comprehend.

Keywords: Ontologies, visualization, interaction.

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Authors: A. U. Haque, W. Asrar, A. A. Omar, E. Sulaeman, J. S Mohamed Ali

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Open jet testing is a valuable testing technique which provides the desired results with reasonable accuracy. It has been used in past for the airships and now has recently been applied for the hybrid ones, having more non-buoyant force coming from the wings, empennage and the fuselage. In the present review work, an effort has been done to review the challenges involved in open jet testing. In order to shed light on the application of this technique, the experimental results of two different configurations are presented. Although, the aerodynamic results of such vehicles are unique to its own design; however, it will provide a starting point for planning any future testing. Few important testing areas which need more attention are also highlighted. Most of the hybrid buoyant aerial vehicles are unconventional in shape and there experimental data is generated, which is unique to its own design.

Keywords: Open jet testing, aerodynamics, hybrid buoyant aerial vehicles, airships.

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Authors: Mustafa Resa Becan, Ahmet Kuzucu

Abstract:

A fuzzy predictive pursuit guidance is proposed as an alternative to the conventional methods. The purpose of this scheme is to obtain a stable and fast guidance. The noise effects must be reduced in homing missile guidance to get an accurate control. An aerodynamic missile model is simulated first and a fuzzy predictive pursuit control algorithm is applied to reduce the noise effects. The performance of this algorithm is compared with the performance of the classical proportional derivative control. Stability analysis of the proposed guidance method is performed and compared with the stability properties of other guidance methods. Simulation results show that the proposed method provides the satisfying performance.

Keywords: Fuzzy, noise effect, predictive, pursuit.

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Authors: Zhu Xiong-feng, Hou Zhong-xi, Guo Zheng, Liu Zhao-Wei

Abstract:

A method of dynamic mesh based airfoil optimization is proposed according to the drawbacks of surrogate model based airfoil optimization. Programs are designed to achieve the dynamic mesh. Boundary condition is add by integrating commercial software Pointwise, meanwhile the CFD calculation is carried out by commercial software Fluent. The data exchange and communication between the software and programs referred above have been accomplished, and the whole optimization process is performed in iSIGHT platform. A simplified airfoil optimization study case is brought out to show that aerodynamic performances of airfoil have been significantly improved, even save massive repeat operations and increase the robustness and credibility of the optimization result. The case above proclaims that dynamic mesh based airfoil optimization is an effective and high efficient method.

Keywords: unmanned air vehicles, dynamic mesh, airfoil optimization, CFD, genetic algorithm

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Authors: M. Adamski, J. Cwiklak

Abstract:

The contemporary battlefield creates a demand for more costly and highly advanced munitions. Training personnel responsible for operations as well as immediate execution of combat tasks which engage real asset is unrealistic and economically not feasible. Owing to a wide array of exploited simulators and various types of imitators, it is possible to reduce the costs. One of the effective elements of training, which can be applied in the training of all service branches, is imitator of aerial targets. This research serves as an introduction to the commencement of design analysis over a real aerial target imitator. Within the project, the basic aerodynamic calculations were made, which enabled to determine its geometry, design layout, performance as well as mass balance of individual components. The conducted calculations of the parameters of flight characteristics come closer to the real performance of such Unmanned Aerial Vehicles.

Keywords: Aerial target, aerodynamics, imitator, performance.

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Authors: M. H. Zarei, A. Nikakhtar, A. H. Roudsari, N. Madadi, K. Y. Wong

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Improving performance measures in the construction processes has been a major concern for managers and decision makers in the industry. They seek for ways to recognize the key factors which have the largest effect on the process. Identifying such factors can guide them to focus on the right parts of the process in order to gain the best possible result. In the present study design of experiment (DOE) has been applied to a computer simulation model of brick laying process to determine significant factors while productivity has been chosen as the response of the experiment. To this end, four controllable factors and their interaction have been experimented and the best factor level has been calculated for each one. The results indicate that three factors, namely, labor of brick, labor of mortar and inter arrival time of mortar along with interaction of labor of brick and labor of mortar are significant.

Keywords: Brick laying process, computer simulation, design of experiment, significant factors.

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Authors: Fan Gao, Lior Pachter

Abstract:

The primary tool currently used to pre-process 10X chromium single-cell ATAC-seq data is Cell Ranger, which can take very long to run on standard datasets. To facilitate rapid pre-processing that enables reproducible workflows, we present a suite of tools called scATAK for pre-processing single-cell ATAC-seq data that is 15 to 18 times faster than Cell Ranger on mouse and human samples. Our tool can also calculate chromatin interaction potential matrices and generate open chromatin signal and interaction traces for cell groups. We use scATAK tool to explore the chromatin regulatory landscape of a healthy adult human brain and unveil cell-type specific features, and show that it provides a convenient and computational efficient approach for pre-processing single-cell ATAC-seq data.

Keywords: single-cell, ATAC-seq, bioinformatics, open chromatin landscape, chromatin interactome

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Authors: M. Raciti Castelli, E. Benini

Abstract:

This paper presents a numerical investigation of the unsteady flow around an American 19th century vertical-axis windmill: the Stevens & Jolly rotor, patented on April 16, 1895. The computational approach used is based on solving the complete transient Reynolds-Averaged Navier-Stokes (t-RANS) equations: a full campaign of numerical simulation has been performed using the k-ω SST turbulence model. Flow field characteristics have been investigated for several values of tip speed ratio and for a constant unperturbed free-stream wind velocity of 6 m/s, enabling the study of some unsteady flow phenomena in the rotor wake. Finally, the global power generated from the windmill has been determined for each simulated angular velocity, allowing the calculation of the rotor power-curve.

Keywords: CFD, vertical-axis rotor, windmill.

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Authors: Ahmad Atieh, Masoud Kalantari, Roozbeh Ahmadi, Javad Dargahi, Muthukumaran Packirisamy, Mehrdad Hosseini Zadeh

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The present paper presents a finite element model and analysis for the interaction between a piezoresistive tactile sensor and biological tissues. The tactile sensor is proposed for use in minimally invasive surgery to deliver tactile information of biological tissues to surgeons. The proposed sensor measures the relative hardness of soft contact objects as well as the contact force. Silicone rubbers were used as the phantom of biological tissues. Finite element analysis of the silicone rubbers and the mechanical structure of the sensor were performed using COMSOL Multiphysics (v3.4) environment. The simulation results verify the capability of the sensor to be used to differentiate between different kinds of silicone rubber materials.

Keywords: finite element analysis, minimally invasive surgery, Neo-Hookean hyperelastic materials, tactile sensor.

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Authors: Ümit Morsünbül

Abstract:

Attachment theory focuses on the bond that develops between child and caretaker and the consequences that this bond has on the childs future relationships. Adolescents attempt to define their identity by experiencing various risky behaviors. The first aim of the study was whether risk taking behavior differs according to attachment styles. The second was to examine risk taking behavior differences according to gender. The third aim of this study was to examine attachment X gender interaction effect for risk taking behavior. And final was to investigate attachment styles differences according to gender. Data were collected from 218 participants (114 female and 104 male) who are university students. The results of this study showed that attachment styles differentiated by risk taking behavior and males had higher risk taking score than females. It was also found out that there was significant attachment X gender interaction effect for risk taking behavior. And finally, the results showed that attachment styles differentiated according to gender.KeywordsAttachment style, risk taking

Keywords: Attachment style, risk taking

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Authors: M. Asato, C. Liu, N. Fujima, T. Hoshino, Y. Chen, T. Mohri

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We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.

Keywords: Full-potential KKR-Green’s function method, Fermi-Dirac distribution, GGA, phase diagram of Pd-rich PdX (X=Ru, Rh) alloys, thermal vibration effect.

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