Modeling and Numerical Simulation of Material Science

Journal Information
ISSN / EISSN : 2164-5345 / 2164-5353
Current Publisher: Scientific Research Publishing, Inc. (10.4236)
Total articles ≅ 100
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Drissa Ouedraogo, Serge Wendsida Igo, Gaël Lassina Sawadogo, Abdoulaye Compaore, Belkacem Zeghmati, Xavier Chesneau
Modeling and Numerical Simulation of Material Science, Volume 10, pp 15-30; doi:10.4236/mnsms.2020.102002

Abstract:
In this work, a numerical study of heat transfers in a metallic pressure cooker isolated with kapok wool was carried out. This equipment works like a thermos, allowing finishing cooking meals only thanks to the heat stored at the beginning of cooking, which generates energy savings. Cooked meals are also kept hot for long hours. In our previous work, we have highlighted the performances of the pressure cooker when making common dishes in Burkina Faso. Also, the parameters (thickness and density) of the insulating matrix allowing having such performances as well as the influence of the climatic conditions on the pressure cooker operation were analyzed in detail in this present work. The numerical methodology is based on the nodal method and the transfer equations obtained by making an energy balance on each node have been discretized using an implicit scheme with finite differences and resolved by the Gauss algorithm. Numerical results validated experimentally show that the thickness of the kapok wool as well as its density play an important role in the pressure cooker operation. In addition, equipment performances are very little influenced by the weather conditions of the city of Ouagadougou (Burkina Faso).
Baha Tarchoun, Abderrazak El Ouafi, Ahmed Chebak
Modeling and Numerical Simulation of Material Science, Volume 10, pp 31-54; doi:10.4236/mnsms.2020.103003

Abstract:
Laser surface hardening is becoming one of the most successful heat treatment processes for improving wear and fatigue properties of steel parts. In this process, the heating system parameters and the material properties have important effects on the achieved hardened surface characteristics. The control of these variables using predictive modeling strategies leads to the desired surface properties without following the fastidious trial and error method. However, when the dimensions of the surface to be treated are larger than the cross section of the laser beam, various laser scanning patterns can be used. Due to their effects on the hardened surface properties, the attributes of the selected scanning patterns become significant variables in the process. This paper presents numerical and experimental investigations of four scanning patterns for laser surface hardening of AISI 4340 steel. The investigations are based on exhaustive modelling and simulation efforts carried out using a 3D finite element thermal analysis and structured experimental study according to Taguchi method. The temperature distribution and the hardness profile attributes are used to evaluate the effects of heating parameters and patterns design parameters on the hardened surface characteristics. This is very useful for integrating the scanning patterns’ features in an efficient predictive modeling approach. A structured experimental design combined to improved statistical analysis tools is used to assess the 3D model performance. The experiments are performed on a 3 kW Nd:Yag laser system. The modeling results exhibit a great agreement between the predicted and measured values for the hardened surface characteristics. The model evaluation reveals also its ability to provide not only accurate and robust predictions of the temperature distribution and the hardness profile as well an in-depth analysis of the effects of the process parameters.
Tomas De La Mora Ramírez, Isaías Hilerio Cruz, Marco Antonio Doñu Ruiz, Noé López Perrusquia, David García Bustos, Martín Flores Martínez, De La Mora Ramírez Tomas, Hilerio Cruz Isaías, Antonio Doñu Ruiz Marco, López Perrusquia Noé, et al.
Modeling and Numerical Simulation of Material Science, Volume 10, pp 1-14; doi:10.4236/mnsms.2020.101001

Abstract:
Ultra-high molecular weight polyethylene (UHMWPE) has been used in orthopedics as one of the materials for artificial joints in knee, hip and spine prostheses, most of the implanted joints are designed so that the metal of the prosthesis is articulate against a polymeric material, however the main problems is the average life time of the UHMWPE due to wear, and the particles generated by the friction of the metal on the articulation of the polymer are the most common inducer of osteolysis, generating a loosening of the implant leading to an imminent failure resulting in the total replacement of the prosthesis. In this investigation a numerical model of abrasive wear was made using the classic Archard wear equation applied to dynamic simulation of finite element analysis (FEA) of the micro-abrasion test using a subroutine written in Fortran language linked to the finite element software to predict the rate of wear. The results of the numerical model were compared with tests of abrasive wear in the laboratory, obtaining a margin of error below 5%,concluding that the numerical model is feasible for the prediction of the rate of wear and could be applied in knowing the life cycle of joint prostheses or for the tribological analysis in industrial machinery or cutting tools. The wear coefficient (K) was obtained from the grinding tests depending on the depth of stroke of the crater, which was analyzed by 3D profilometry to obtain the wear rate and the wear constant.
Matteo Villa, Jeffery W. Brooks, Richard P. Turner, Mark Ward
Modeling and Numerical Simulation of Material Science, Volume 10, pp 55-73; doi:10.4236/mnsms.2020.103004

Abstract:
The microstructural kinetics of β grain growth in the β field of a Ti-6Al-4V alloy was studied by a series of controlled heat treatments at constant temperature rates. Heating rates of 5°C/s, 50°C/s and 500°C/s were considered, stopping at different peak temperatures. The thickness evolution of martensitic needles and lamellar α laths, formed on cooling, was also investigated, by soaking the material above its β-transus temperature and cooling down at 5°C/s, 50°C/s, 100°C/s and 300°C/s till ambient temperature. Quantitative microstructural analyses were used to measure the particle dimensions. The β grain growth kinetics was reasonably well described by a modified Avrami equation. The thickness of α lamellae was a function of the cooling rate and the β grain dimension in which they nucleated. The martensite needle thickness was shown to be a function of the cooling rate to which the material was subjected.
Abou Bakary Coulibaly, Sampson Oladapo Oyedele, N’Guessan Raymond Kre, Boko Aka
Modeling and Numerical Simulation of Material Science, Volume 9, pp 97-107; doi:10.4236/mnsms.2019.94006

Abstract:
In recent years, there has been an unprecedented rise in the performance of metal halide perovskite solar cells. The lead-free perovskite solar cells (PSCs) have drawn much research interest due to the Pb toxicity of the lead halide perovskite. CH3NH3SnI3 is a viable alternative to CH3NH3PbX3. In this work, we designed a tin-based perovskite simulated model with the novel architecture of (TCO)/buffer (TiO2)/absorber (Perovskite)/hole transport material (HTM) and analyzed using the solar cell capacitance simulator (SCAPS-1D), which is well adapted to study the photovoltaic architectures. In the paper, we studied the influences of perovskite thickness and the doping concentration on the solar cell performance through theoretical analysis and device simulation. The results are indicating that the lead-free CH3NH3SnI3 is having the greatpotential to be an absorber layer with suitable inorganic hole transport materials like CuI (PCE: 23.25%), Cu2O (PCE: 19.17%), organic hole transport materials like spiro-OMETAD (PCE: 23.76%) and PTAA (PCE: 23.74%) to achieve high efficiency. This simulation model will become a good guide for the fabrication of high efficiency tin-based perovskite solar. The results show that the lead-free CH3NH3SnI3 is a potential environmentally friendly solar cells with high efficiency.
Isa Ibrahim Mohammed, Ibrahim Isa Adamu, Seni James Barka
Modeling and Numerical Simulation of Material Science, Volume 9, pp 71-96; doi:10.4236/mnsms.2019.94005

Abstract:
In this work, we presented a mathematical model for the dynamics of glucose, insulin and beta-cell mass under the influence of trauma, excitement and/or stress, the model is an improvement on the work by [1]. We defined and incorporated a parameter to represent the effectiveness of epinephrine in suppressing insulin secretion and a parameter Ge representing epinephrine induced glucose increase as the factors that affect glucose and insulin homeostasis. The model which consists of a system of three nonlinear ordinary differential equations was used to investigate the effect of epinephrine on glucose, insulin and beta-cell mass dynamics. The result of the study showed that; In the presence of epinephrine, the blood glucose increased and the blood insulin decreased due to suppression by the hormone, despite the fact that there is an increase in beta-cell mass the system remained extremely hyperglycemic. Furthermore, the result of the numerical experiment carried out indicated that frequent epinephrine secretion into the blood induced prolong and extreme hyperglycemia. Frequent epinephrine secretion increases the risk of diabetes in humans. In view of the findings of this study, we recommend that there should be massive and continuous health education, especially for communities living in the areas where the stated agents (trauma, excitement and stress) of epinephrine secretion are common.
Claude Lincourt, Jacques Lanteigne, Madhavarao Krishnadev, Carl Blais
Modeling and Numerical Simulation of Material Science, Volume 9, pp 17-28; doi:10.4236/mnsms.2019.92002

Christopher Ozigagu, Anthony J. Duben
Modeling and Numerical Simulation of Material Science, Volume 9, pp 1-15; doi:10.4236/mnsms.2019.91001

Lina Wang, Yongqiang Pan, Linjiao Yang, Yitong Wang, Fulin Li, Jiaqi Wang, Shanwei Wang, Na Zuo
Modeling and Numerical Simulation of Material Science, Volume 9, pp 29-40; doi:10.4236/mnsms.2019.92003

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