Search results for: fire dynamics simulation (FDS)

Authors: Christina Knorr

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Analysis of the evacuation of occupants of a building plays a significant role in Fire Safety Engineering. One of the tools used for the analysis is the concept of the Required Safe Egress Time (RSET). It is generally accepted that RSET is measured from the time the fire ignites until the time that all occupants have evacuated to a safe location. Instructions on how RSET is determined can be found in both the International Fire Engineering Guidelines and, more recently, in the Australian Fire Engineering Guidelines. The guidelines also specify measures that could be applied to reduce the RSET and hence improve the performance of fire-safety measures of a building. Further, it is suggested that the delay period can be reduced through “training programs.” This study examined the overall level of fire-safety awareness among occupants of residential apartment buildings in Australia and investigated the possible effects of fire-safety training on the delay period and, hence, the RSET. A questionnaire, interviews, and an experiment were conducted to collect data about people’s fire-safety knowledge, people’s behaviour and nature, and the duration of activities people are likely to undertake in the event of a fire. The study led to an investigation into the delay and response time approximations and the development of a new equation to incorporate the impact of training into the RSET calculations for the general use of the fire engineering community. Regardless of the RSET, it can be concluded that fire-safety education and training for residents of apartment buildings have a direct impact on improving their behaviour and firefighting equipment usage in a fire incident.

Keywords: fire safety engineering, fire safety training, occupant evacuation behaviour, required safe egress time

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Authors: Jatinder Kumar, Ajay Bansal

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Simulation of a photocatalytic reactor helps in understanding the complex behavior of the photocatalytic degradation. Simulation also aids the designing and optimization of the photocatalytic reactor. Lack of simulation strategies is a huge hindrance in the commercialization of the photocatalytic technology. With the increased performance of computational resources, and development of simulation software, computational fluid dynamics (CFD) is becoming an affordable engineering tool to simulate and optimize reactor designs. In the present paper, a CFD (Computational fluid dynamics) model for simulating the performance of an immobilized-titanium dioxide based annular photocatalytic reactor was developed. The computational model integrates hydrodynamics, species mass transport, and chemical reaction kinetics using a commercial CFD code Fluent 6.3.26. The CFD model was based on the intrinsic kinetic parameters determined experimentally in a perfectly mixed batch reactor. Rhodamine B, a complex organic compound, was selected as a test pollutant for photocatalytic degradation. It was observed that CFD could become a valuable tool to understand and improve the photocatalytic systems.

Keywords: simulation, computational fluid dynamics (CFD), annular photocatalytic reactor, titanium dioxide

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Authors: Xuelin Zhang, Shouxiang Lu, Changhai Li

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The commercial retardant flame polycarbonate samples as the main high speed train interior carriage material with different thicknesses were investigated in Fire Propagation Apparatus with different external heat fluxes under different oxygen concentration from 12% to 40% to study the fire characteristics and quantitatively analyze the ignition time, mass loss rate and heat blockage. The additives of commercial retardant flame polycarbonate were intumescent and maintained a steady height before ignition when heated. The results showed the transformed ignition time (1/t_ig)ⁿ increased linearly with external flux under different oxygen concentration after deducting the heat blockage due to pyrolysis products, the mass loss rate was taken on linearly with external heat fluxes and the slop of the fitting line for mass loss rate and external heat fluxes decreased with the enhanced oxygen concentration and the heat blockage independent on external heat fluxes rose with oxygen concentration increasing. The inquired data as the input of the fire simulation model was the most important to be used to evaluate the fire risk of commercial retardant flame polycarbonate.

Keywords: ignition time, mass loss rate, heat blockage, fire characteristic

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Authors: Bernice V. Y. Wong, Kong Fah Tee

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Cross-laminated timber is increasingly being used in the construction of high-rise buildings due to its simple manufacturing system. In term of fire resistance, cross-laminated timber panels are promoted as having excellent fire resistance, comparable to that of non-combustible materials and to heavy timber construction, due to the ability of thick wood assemblies to char slowly at a predictable rate while maintaining most of their strength during the fire exposure. This paper presents an overview of fire performance of cross-laminated timber and evaluation of its resistance to elevated temperature in comparison to homogeneous timber panels. Charring rates for cross-laminated timber panels of those obtained experimentally were compared with those provided by Eurocode simplified calculation methods.

Keywords: timber structure, cross-laminated timber, charring rate, timber fire resistance

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Authors: Ming Chian Yew, Ming Kun Yew, Lip Huat Saw, Tan Ching Ng, Rajkumar Durairaj, Jing Han Beh

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This paper analyzes the fire protection performance, char formation and heat release characteristics of the thin film intumescent coatings that incorporate waste eggshell (ES) as a nano bio-filler. In this study, the Bunsen burner and the fire propagation (BS 476: Part 6) tests of coatings were measured. Experiments on the samples were also tested to evaluate their fire behavior using a cone calorimeter according to ISO 5660-1 specifications. On exposure, the samples B, C and D had been certified to be Class 0 due to the fire propagation indexes of the samples were less than 12. Samples B and D showed a significant reduction in total heat rate (B=11.6 MJ/m² and D=12.0 MJ/m²) and uniform char structures with the addition of 3.30 wt.% and 2.75 wt.% ES nano bio-filler, respectively. As a result, ES nano bio-filler composition good to slow down the fire expanding and demonstrate better fire protection due to its positive synergistic effect with flame retardant ingredients on physical and chemical reactions in fire protection.

Keywords: cone calorimeter, eggshell, fire protection, heat release rate, intumescent coating

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Authors: Jeff Colwell, Benjamin Knox

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While fire and explosion incidents are often observed by eyewitnesses, the weight that fire investigators should place on those observations in their investigations is a complex issue. There is no doubt that eyewitness statements can be an important component to an investigation, particularly when other evidence is sparse, as is often the case when damage to the scene is severe. However, it is well known that eyewitness statements can be incorrect for a variety of reasons, including deception. In this paper, we reviewed factors that can have an effect on the complex processes associated with the perception, retention, and retrieval of an event. We then review the accuracy of eyewitness statements from unique criminal and civil incidents, including fire and explosion incidents, in which the accuracy of the statements could be independently evaluated. Finally, the motives for deceptive eyewitness statements are described, along with techniques that fire and explosion investigators can employ, to increase the accuracy of the eyewitness statements that they solicit.

Keywords: fire, explosion, eyewitness, reliability

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Authors: Qian Li, Shouxiang Lu

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With the rapid increase in electric power use, wire and cable fire occur more and more frequent. The fire smoke has a corrosive effect on the solders, which seriously affects the function of electronic equipment. In this research, the effect of environment relative humidity on corrosion behavior of Sn-0.7Cu solder has been researched under 140 g·m⁻³ polyvinyl chloride (PVC) fire smoke atmosphere. The mass loss of Sn-0.7Cu solder increased with the relative humidity. Furthermore, the microstructures and corrosion mechanism were analyzed by using SEM, EDS, XRD, and XPS. The result shows that Sn₂₁Cl₁₆(OH)₁₄O₆ is the main corrosion products and the corrosion process is an electrochemical reaction. The present work could provide guidance to the risk assessment for electronic equipment rescue after a fire.

Keywords: corrosion, fire smoke, relative humidity, Sn-0.7Cu solder

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Authors: Mahyar Maali, Merve Sagiroglu, Mahmut Kilic, Abdulkadir Cuneyt Aydin

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In order to evaluate the residual strength of S235 (St37) steel structures after the fire, an experimental program was undertaken to investigate the post-fire mechanical properties. Tensile coupons taken from S235 sheets were exposed to varying temperatures as 200°C, 400°C, 600°C, and 800 °C. The samples were then allowed to cool down to ambient temperature before they were tested to failure. To obtain the mechanical properties of steels; tensile tests are performed, and the post-fire stress-strain curves are evaluated. The microstructures of the heat-treated specimens were examined by Scanning Electron Microscope (SEM). It is seen that morphology and size of the precipitates in the specimens change, as the heat increases. The modulus of elasticity decreases, and deformation increases with temperature. Energy dissipation decreases due to lower stress according to the stress-strain curves of the specimens. Especially, the mechanical properties were decreased compared with the pre-fire ones. As a result of the post-fire and pre-fire behavior of S235, a set of equations is evaluated to predict the mechanical properties after the fire. These types of equations may allow the structural and/or fire engineers to predict accurately the post-fire behavior of the buildings constructed with S235 type steel.

Keywords: post-fire behavior, stress-strain curves, experimental study, S235 steel

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Authors: Yousefi Aryian, Ghanbaripour Amir naser

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Record of 2 million trips during a day by subway makes it the most application and the most efficient branch of public transportation. Great safety, energy consumption reduction, appropriate speed, and lower prices for passengers in comparison with private cars or buses, are some reasons for this remarkable statics. This increasing popularity compels the author to evaluate the safety of subway stations and tunnels against fire and fire extinguishing systems in Tehran subway network and then compare some of its safety parameters to other countries. This paper assessed the methods and systems used in different parts of Tehran subway and then by comparing the facilities and equipment necessary to declare and extinguish the fire, the solutions and world standards (NFPA) are explored.

Keywords: subway station, tunnel, fire alarm, extinguishing fire, NFPA standards

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Authors: Seung-Un Chae, Heung-Yul Kim, Sa-Kil Kim

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This paper presents the findings of preliminary study on human control performance in case of fire. The relationship between human control and human decision is studied in decision processes and stress model of human in a fire. Human behavior aspects involved in the decision process during a fire incident. The decision processes appear that six of individual perceptual processes: recognition, validation, definition, evaluation, commitment, and reassessment. Then, human may be stressed in order to get an optimal decision for their activity. This paper explores problems in human control processes and stresses in a catastrophic situation. Thus, the future approach will be concerned to reduce stresses and ambiguous irrelevant information.

Keywords: human reliability, decision processes, stress model, fire

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Authors: Alaa I. Arafa, Hemdan O. A. Said. Marwa A. M. Ali

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This paper investigates and evaluates experimentally the structural behavior of high strength concrete (HSC) beams under fire and compares it with that of Normal strength concrete (NSC) beams. The main investigated parameters are: concrete compressive strength (300 or 600 kg/cm²); the concrete cover thickness (3 or 5 cm); the degree of temperature (room temperature or 600 ^oC); the type of cooling (air or water); and the fire exposure time (3 or 5 hours). Test results showed that the concrete compressive strength decreases significantly as the exposure time to fire increases.

Keywords: experimental, fire, high strength concrete beams, monotonic loading

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Authors: Hefzollah Mohammadian, Ensieh Hajeb, Mohamad Baqer Heidari

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In this paper, for the protection and safety of tanks gases (flammable materials) and also due to the considerable economic value of the reservoir, the new system for the protection, the conservation and fire fighting has been cloned. The system consists of several parts: the Sensors to detect heat and fire with Nanotechnology (nano sensor), Barrier for isolation and protection from a range of two electronic zones, analyzer for detection and locating point of fire accurately, Main electronic board to announce fire, Fault diagnosis in different locations, such as relevant alarms and activate different devices for fire distinguish and announcement. An important feature of this system, high speed and capability of fire detection system in a way that is able to detect the value of the ambient temperature that can be adjusted. Another advantage of this system is autonomous and does not require human operator in place. Using nanotechnology, in addition to speeding up the work, reduces the cost of construction of the sensor and also the notification system and fire extinguish.

Keywords: analyser, barrier, heat resistance, general fault, general alarm, nano sensor

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Authors: Tarek Dandashi

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WSNs may provide a fast and reliable solution for the early detection of environment events like forest fires. This is crucial for alerting and calling for fire brigade intervention. Sensor nodes communicate sensor data to a host station, which enables a global analysis and the generation of a reliable decision on a potential fire and its location. A WSN with TinyOS and nesC for the capturing and transmission of a variety of sensor information with controlled source, data rates, duration, and the records/displaying activity traces is presented. We propose a similarity distance (SD) between the distribution of currently sensed data and that of a reference. At any given time, a fire causes diverging opinions in the reported data, which alters the usual data distribution. Basically, SD consists of a metric on the Cumulative Distribution Function (CDF). SD is designed to be invariant versus day-to-day changes of temperature, changes due to the surrounding environment, and normal changes in weather, which preserve the data locality. Evaluation shows that SD sensitivity is quadratic versus an increase in sensor node temperature for a group of sensors of different sizes and neighborhood. Simulation of fire spreading when ignition is placed at random locations with some wind speed shows that SD takes a few minutes to reliably detect fires and locate them. We also discuss the case of false negative and false positive and their impact on the decision reliability.

Keywords: forest fire, WSN, wireless sensor network, algortihm

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Authors: Iva Dvornik, Sandro Božić, Žana Božić Brkić

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System-dynamic simulating modelling is one of the most appropriate and successful scientific methods of the complex, non-linear, natural, technical and organizational systems. In the recent practice its methodology proved to be efficient in solving the problems of control, behavior, sensitivity and flexibility of the system dynamics behavior having a high degree of complexity, all these by computing simulation i.e. “under laboratory conditions” what means without any danger for observed realities. This essay deals with the research of the gas turbine dynamic process as well as the operating pump units and transformation of gas energy into hydraulic energy has been simulated. In addition, system mathematical model has been also researched (gas turbine- centrifugal pumps – pipeline pressure system – storage vessel).

Keywords: system dynamics, modelling, centrifugal pump, turbine, gases, continuous and discrete simulation, heuristic optimisation

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Authors: A. Rajabpour, A. Hadizadeh Kheirkhah

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Heat transfer is of great importance to biological systems in order to function properly. In the present study, specific heat capacity as one of the most important heat transfer properties is calculated for a soluble in water Lysozyme protein. Using equilibrium molecular dynamics (MD) simulation, specific heat capacities of pure water, dry lysozyme, and lysozyme-water solution are calculated at 300K for different weight fractions. It is found that MD results are in good agreement with ideal binary mixing rule at small weight fractions. Results of all simulations have been validated with experimental data.

Keywords: specific heat capacity, molecular dynamics simulation, lysozyme protein, equilibrium

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Authors: K. Veluraja

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Glycan of glycolipids and glycoproteins is playing a significant role in living systems particularly in molecular recognition processes. Molecular recognition processes are attributed to their occurrence on the surface of the cell, sequential arrangement and type of sugar molecules present in the oligosaccharide structure and glyosidic linkage diversity (glycoinformatics) and conformational diversity (glycoconformatics). Molecular Dynamics Simulation study is a theoretical-cum-computational tool successfully utilized to establish glycoconformatics of glycan. The study on various oligosaccharides of glycan clearly indicates that oligosaccharides do exist in multiple conformational states and these conformational states arise due to the flexibility associated with a glycosidic torsional angle (φ,ψ) . As an example: a single disaccharide structure NeuNacα(2-3) Gal exists in three different conformational states due to the differences in the preferential value of glycosidic torsional angles (φ,ψ). Hence establishing three dimensional structural and conformational models for glycan (cartesian coordinates of every individual atoms of an oligosaccharide structure in a preferred conformation) is quite crucial to understand various molecular recognition processes such as glycan-toxin interaction and glycan-virus interaction. The gycoconformatics models obtained for various glycan through Molecular Dynamics Simulation stored in our 3DSDSCAR (3DSDSCAR.ORG) a public domain database and its utility value in understanding the molecular recognition processes and in drug design venture will be discussed.

Keywords: glycan, glycoconformatics, molecular dynamics simulation, oligosaccharide

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Authors: Suresh Narayana, Chaitanya Akkannavar

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Assessment of behavior of reinforced concrete structures subjected to fire load, and its behavior for the multi-floor fire have been presented in this paper. This research is the part of the study to evaluate the performance of ten storied RC structure when it is subjected to fire loads at multiple floors and to evaluate the post-fire effects on structure such as deflection and stresses occurring due to combined effect of static and thermal loading. Thermal loading has been assigned to different floor levels to estimate the critical floors that initiate the collapse of the structure. The structure has been modeled and analyzed in Solid Works and commercially available Finite Element Software ABAQUS. Results are analyzed, and particular design solution has been suggested.

Keywords: collapse mechanism, fire analysis, RC structure, stress vs temperature

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Authors: Chung-Hao Wu, Tung-Dju Lin, Ming-Chin Ho, Minehiro Nishiyama

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This paper discusses reported fire tests of concrete beams and columns, future fire tests of beam/column frames, and an innovative concept for designing a beam/column furnace. The proposed furnace could be designed to maximize the efficiency of fire test procedures and minimize the cost of furnace construction and fuel consumption. ASTM E119 and ISO 834 standards were drafted based on prescriptive codes and have several weaknesses. The first involves a provision allowing the support regions of a test element to be protected from fire exposure. The second deals with the L/30 deflection end point instead of the structural end point (collapse) in order to protect the hydraulic rams from fire damage. Furthermore, designers commonly use the measured fire endurances of interior columns to assess fire ratings of edge and corner columns of the same building. The validity of such an engineering practice is theoretically unsound. Performance-Based Codes (PBC) require verification tests of structural frames including the beam/column joints to overcome these weaknesses but allow the use of element test data as reference only. In the last 30 years, PBC have gained global popularity because the innovative design and flexibility in achieving an ultimate performance goal.

Keywords: fire resistance, concrete structure, beam/column frame, fire tests

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Authors: Ki-Seok Kwon, Heung-Youl Kim

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This research evaluated fire resistances of high-strengthened reinforced concrete (RC) column, spiral wire rope which applied with 60, and 100MPa. The fire resistance test of RC column with loading condition was conducted following the ISO 834 (3 hours). This experiment set mixing of fiber (PP fiber, Steel fiber) and types of horizontal reinforcement as a variable of reinforcement method. The fire resistance test measured the main steel bar’s max and mean temperatures also the shrinkage and shrinking ratio of columns(500 X 500 X 3,000mm) with loadings. As a result, the specimen of 60MPa attained three hours fire resistance with only spiral wire rope. Also, the specimen of 100MPa must be reinforced with fibers and spiral wire rope to attain three hours fire resistance.

Keywords: reinforced concrete column, high strength concrete, wire rope, fire resistance test

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Authors: Omair Ghori, Anton Stadler, Stefan Wilk, Wolfgang Effelsberg

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Fire-related incidents account for extensive loss of life and material damage. Quick and reliable detection of occurring fires has high real world implications. Whereas a major research focus lies on the detection of outdoor fires, indoor camera-based fire detection is still an open issue. Cameras in combination with computer vision helps to detect flames and smoke more quickly than conventional fire detectors. In this work, we present a computer vision-based smoke detection algorithm based on contrast changes and a multi-step classification. This work accelerates computer vision-based fire detection considerably in comparison with classical indoor-fire detection.

Keywords: contrast analysis, early fire detection, video smoke detection, video surveillance

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Authors: Bum Yean Cho, Heung-Youl Kim, Ki-Seok Kwon, Kang-Su Kim

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In this study, a full-scale test and analysis (numerical analysis) of fire resistance performance of bare CFT column on which slot was used instead of existing welding method to connect the steel pipe on the concrete-filled tube were conducted. Welded CFT column is known to be vulnerable to high or low temperature because of low brittleness of welding part. As a result of a fire resistance performance test of slot CFT column after removing the welding part and fixing it by a slot which was folded into the tube, slot type CFT column indicated the improved fire resistance performance than welded CFT column by 28% or more. And as a result of conducting finite element analysis of slot type column using ABAQUS, analysis result proved the reliability of the test result in predicting the fire behavior and fire resistance hour.

Keywords: CFT (concrete-filled tube) column, fire resistance performance, slot, weld

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Authors: Zainab Fadhil Al Toki, Nader Ghareeb

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This study investigates how lightweight a fire resistance door will perform with under types of insulation materials. Data is initially collected from various websites, scientific books and research papers. Results show that different layers of insulation in a single door can perform better than one insulator. Furthermore, insulation materials that are lightweight, high strength and low thermal conductivity are the most preferred for fire-rated doors. Whereas heavy weight, low strength, and high thermal conductivity are least preferred for fire resistance doors. Fire-rated door specifications, theoretical test methodology, structural analysis, and comparison between five different models with diverse layers insulations are presented. Five different door models are being investigated with different insulation materials and arrangements. Model 1 contains an air gap between door layers. Model 2 includes phenolic foam, mild steel and polyurethane. Model 3 includes phenolic foam and glass wool. Model 4 includes polyurethane and glass wool. Model 5 includes only rock wool between the door layers. It is noticed that model 5 is the most efficient model, and its design is simple compared to other models. For this model, numerical calculations are performed to check its efficiency and the results are compared to data from experiments for validation. Good agreement was noticed.

Keywords: fire resistance, insulation, strength, thermal conductivity, lightweight, layers

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Authors: Behzad Moeini Sam, Sara Mohammadi Avandi

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The rituals of fire among the Iranians go back to the general Proto-Indo-European and Indo-Iranian eras when they lived in regions known as the Pontic-Caspian (Indo-Europeans) and Kazakhstan (the Andronovo culture belonging to the Indo-Iranian tribes), and we can get to know about their vulgar heritage despite their separation from each other during several millennia. The early Aryan settlers of Iran had brought their cults to their new home and were bequeathed to them by their Indo-Iranian ancestors. Tradition speaks of several great sacred Iranian fires consecrated by the pre-Zoroastrian kings. Ātar or fire corresponds to the Vedic Agni Atar's functions are elaborately delineated in the Later Avesta. This paper aims to show the fire cults among the Iranian Lur tribes that originate in the past. Therefore, it will be searched for rituals in equally Indo-European and Indo-Iranian Periods and Old Iranian Texts and their frequency among the Lur tribes. In addition to the library books, we tried to interview the chiefs of Lur tribes. Finally, we concluded that the fire among the Lur Tribes is a sequence of beliefs of the Proto-Indo-European and Indo-Iranian Periods reflected in Old and Middle Iranian texts.

Keywords: Indo-European, ancient Iran, fire, Lur, Zoroastrian

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Authors: Sakir Tasdemir, Mustafa Altin, Gamze Fahriye Pehlivan, Sadiye Didem Boztepe Erkis, Ismail Saritas, Selma Tasdemir

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Artificial intelligence applications are commonly used in industry in many fields in parallel with the developments in the computer technology. In this study, a fire room was prepared for the resistance of wooden construction elements and with the mechanism here, the experiments of polished materials were carried out. By utilizing from the experimental data, an artificial neural network (ANN) was modeled in order to evaluate the final cross sections of the wooden samples remaining from the fire. In modelling, experimental data obtained from the fire room were used. In the system developed, the first weight of samples (ws-gr), preliminary cross-section (pcs-mm2), fire time (ft-minute), fire temperature (t-oC) as input parameters and final cross-section (fcs-mm2) as output parameter were taken. When the results obtained from ANN and experimental data are compared after making statistical analyses, the data of two groups are determined to be coherent and seen to have no meaning difference between them. As a result, it is seen that ANN can be safely used in determining cross sections of wooden materials after fire and it prevents many disadvantages.

Keywords: artificial neural network, final cross-section, fire retardant polishes, fire safety, wood resistance.

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Authors: M. Dehestani, M. Ghasemi-Kooch

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In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.

Keywords: adsorption, chlorophyll, interaction, molecular dynamics simulation, nanotube

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Authors: Dêivisson Alves Anjos, Blenda Fonseca Aires Teles, Queitiane Castro Costa

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Fire is one of the biggest dangers for factories, warehouses, mills, among other places, causing unimaginable damage, because besides the material damage also directly affects the lives of workers who are likely to suffer death or very serious consequences. This protection of the lives of these people should be taken seriously, always seeking safety. Thus investment in security and monitoring equipment must be high, so you can prevent or reduce the impacts of a possible fire. Our device, made in PIC micro controller monitors the temperature and the presence of gas in the environment, it sends the data via Bluetooth device to a developed in LabVIEW interface saves these data continuously and alert if the temperature exceeds the allowed or some gas is detected. Currently the device is in operation and can perform several tests, as well as use in different areas for which you need anti-fire protection.

Keywords: pic, bluetooth, fire, temperature, gas, LabVIEW

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Authors: M. Dehestani, F. Kamali, M. Klantari Pour, L. Zeidabadi-Nejad

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Chemical bonding between polyethylene glycol (PEG) with pharmaceutical proteins called pegylation is one of the most effective methods of improving the pharmacological properties. The covalent attachment of polyethylene glycol (PEG) to proteins will increase their pharmacologic properties. For the formation of a combination of pegylated protein should first be activated PEG and connected to the protein. Interferons(IFNs) are a family of cytokines which show antiviral effects in front of the biological and are responsible for setting safety system. In this study, the nature and properties of the interaction between active positions of IFNs and polyethylene glycol have been investigated using molecular dynamics simulation. The main aspect of this theoretical work focuses on the achievement of valuable data on the reaction pathways of PEG-IFNs and the transition state energy. Our results provide a new perspective on the interactions, chemical properties and reaction pathways between IFNs and PEG.

Keywords: interaction, interferons, molecular dynamics simulation, polyethylene glycol

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Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

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The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behaviour.

Keywords: seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation

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Authors: Bayu Rizky Pratama, Hardiansyah Nur Sahaya

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Riau Province is the worst emitter for forest burning which causes the huge scale of externality such as declining of forest habitat, health disease, and climate change impact. Indonesia forum of budget transparency for Riau Province (FITRA) reported the length of forest burning reached about 186.069 hectares which is 7,13% of total national forest burning disaster, consisted of 107.000 hectares of peatland and the rest 79.069 hectares of mineral land. Anti-fire group, a voluntary group next to the forest, to help in protecting the forest burning and heavily smoke residual has been established but unfortunately the implementation still far from expectation. This research will emphasize on (1) how the anti-fire group contribute to fire hazard tackling; (2) the identification of SWOT analysis to enhance the group benefit; and (3) government policy implication to maximize the role of Anti-fire group and reduce the case of forest burning as well as heavily smoke which can raise climate change impact. As the observation found some weakness from SWOT identification such as (1) lack of education and training; (2) facility in extinguishing the fire damage; (3) law for economic incentive; (4) communication and field experience; (5) also the reporting the fire case.

Keywords: anti-fire group, forest burning impact, SWOT, climate change mitigation

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Authors: Jiahui Song

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The use of high-intensity, nanosecond electric pulses has been a recent development in biomedical. High-intensity (∼100 kV/cm), nanosecond duration-pulsed electric fields have been shown to induce cellular electroporation. This will lead to an increase in transmembrane conductivity and diffusive permeability. These effects will also alter the electrical potential across the membrane. The applications include electrically triggered intracellular calcium release, shrinkage of tumors, and temporary blockage of the action potential in nerves. In this research, the dynamics of pore formation with the presence of an externally applied electric field is studied on the basis of molecular dynamics (MD) simulations using the GROMACS package. MD simulations show pore formation occurs for a pulse with the amplitude of 0.5V/nm at 1ns at temperature 316°K. Also increasing temperatures facilitate pore formation. When the temperature is increased to 323°K, pore forms at 0.75ns with the pulse amplitude of 0.5V/nm. For statistical significance, a total of eight MD simulations are carried out with different starting molecular velocities for each simulation. Also, actual experimental observations are compared against MD simulation results.

Keywords: molecular dynamics, high-intensity, nanosecond, electroporation

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