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Mathematical modeling in materials science of electronic component最新文献

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MATHEMATICAL MODELING OF ELEMENTS OF POWER SYSTEMS OF REMOTE ELECTRONIC DEVICES BY OPTICAL RADIATION 远程电子设备电力系统元件的光辐射数学建模
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3079.mmmsec-2022/95-97
V. Litvinov, K. Litvinova
{"title":"MATHEMATICAL MODELING OF ELEMENTS OF POWER SYSTEMS OF REMOTE ELECTRONIC DEVICES BY OPTICAL RADIATION","authors":"V. Litvinov, K. Litvinova","doi":"10.29003/m3079.mmmsec-2022/95-97","DOIUrl":"https://doi.org/10.29003/m3079.mmmsec-2022/95-97","url":null,"abstract":"In this work, mathematical modeling of power supply systems for remote electronic devices by optical radiation is carried out. A technique has been developed that makes it possible to obtain a calculation of the maximum length of the focon, in which there are no losses of light energy associated with radiation through the side surface.","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"26 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125943380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MEAN FREE PATHS OF PHONONS IN NANOFILMS 纳米膜中声子的平均自由程
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3089.mmmsec-2022/124-127
V. Khvesyuk, J. Zheng, A. Barinov
{"title":"MEAN FREE PATHS OF PHONONS IN NANOFILMS","authors":"V. Khvesyuk, J. Zheng, A. Barinov","doi":"10.29003/m3089.mmmsec-2022/124-127","DOIUrl":"https://doi.org/10.29003/m3089.mmmsec-2022/124-127","url":null,"abstract":"This work presents the new method and results of calculations of the mean free paths of phonons in nanofilms, considering the roughness of the surfaces of the films. Such calculations are extremely necessary to determine the thermal conductivity","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126729047","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
NUMERICAL ALGORITHM FOR SIMULATING ETCHING PROFILES BY LEVEL-SET METHOD WITH AN ARBITRARY RATE FUNCTION 任意速率函数水平集法模拟蚀刻轮廓的数值算法
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3074.mmmsec-2022/80-82
R. Alyaev, A. Lebedev
{"title":"NUMERICAL ALGORITHM FOR SIMULATING ETCHING PROFILES BY LEVEL-SET METHOD WITH AN ARBITRARY RATE FUNCTION","authors":"R. Alyaev, A. Lebedev","doi":"10.29003/m3074.mmmsec-2022/80-82","DOIUrl":"https://doi.org/10.29003/m3074.mmmsec-2022/80-82","url":null,"abstract":"The work includes the development and verification of a software tool for modelling the etching of two-dimensional profiles using wet and dry etching","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"50 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125023435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
INVESTIGATION OF THE EFFECT OF VACANCIES ON THE PROCESS OF NICKEL IMPURITY SEGREGATION NEAR THE BOUNDARIES OF DEFECTS IN THE STRUCTURE OF IN LSNT PEROVSKITE BY THE METHOD OF AB INITIO MOLECULAR DYNAMICS 用从头算分子动力学方法研究了空位对LSNT钙钛矿结构缺陷边界附近镍杂质偏析过程的影响
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3102.mmmsec-2022/170-174
A. Fattakhov, D. Bazhanov
{"title":"INVESTIGATION OF THE EFFECT OF VACANCIES ON THE PROCESS OF NICKEL IMPURITY SEGREGATION NEAR THE BOUNDARIES OF DEFECTS IN THE STRUCTURE OF IN LSNT PEROVSKITE BY THE METHOD OF AB INITIO MOLECULAR DYNAMICS","authors":"A. Fattakhov, D. Bazhanov","doi":"10.29003/m3102.mmmsec-2022/170-174","DOIUrl":"https://doi.org/10.29003/m3102.mmmsec-2022/170-174","url":null,"abstract":"In this paper, we investigate the segregation of Ni impurities in the presence of oxygen vacancies near the boundaries of defects in the structure of perovskite La0.2Sr0.7Ni0.1Ti0.9O2.9 (LSNT), using the example of a model cell with stoichiometry La0.5Sr0.5TiO3 (LST). Lattice defects such as TiO-terminated surface (001) and TiO-terminated antiphase boundary are considered. The VASP package is used to perform quantum mechanical calculations of energies. As a result, it was found that Ni impurity particles tend to segregate at the boundaries of defects for both the surface and the antiphase boundary. Besides, oxygen vacancies enhance the process of segregation. These results confirm experimental observations.","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129563108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
THE MODELING OF VIBRATION PROPERTIES IN THE HYDROGENATED DIAMOND-LIKE NANOFLAKES 氢化类金刚石纳米片的振动特性建模
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3100.mmmsec-2022/164-167
G. Ivanchenko, A. Ten, M. Butenko, N. Kuzmin
{"title":"THE MODELING OF VIBRATION PROPERTIES IN THE HYDROGENATED DIAMOND-LIKE NANOFLAKES","authors":"G. Ivanchenko, A. Ten, M. Butenko, N. Kuzmin","doi":"10.29003/m3100.mmmsec-2022/164-167","DOIUrl":"https://doi.org/10.29003/m3100.mmmsec-2022/164-167","url":null,"abstract":"In this paper, the vibrational spectrum of diamane [1] is calculated within the framework of Hamilton's formalism. The geometric model of the diamane is represented as a two-layer graphene, but each C-atom has an sp3 hybridization of external electronic orbitals. The carbon atoms of one of the graphene sublattices are covalently bound to the atoms of the second graphene layer, and the outer hydrogen atoms are covalently attached to the atoms of the second sublattice. A diamane unit cell contains two carbon atoms and one hydrogen atom. When constructing the model, the deformation of the graphene plane as a result of the hydrogen atoms addition to it and the change in the hybridization of the external electronic orbitals of carbon atoms from sp2 to sp3 were taken into account. The interaction between hydrogen atoms was not taken into account.","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130958908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
ON MATHEMATICAL MODELING AND QUALITATIVE ESTIMATIONS IN THE METHOD OF TIME-OF-FLIGHT CATHODOLUMINESCENCE 飞行时间阴极发光法的数学建模和定性估计
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3085.mmmsec-2022/112-115
D. Turtin, M. Stepovich, N. Shcherbakov
{"title":"ON MATHEMATICAL MODELING AND QUALITATIVE ESTIMATIONS IN THE METHOD OF TIME-OF-FLIGHT CATHODOLUMINESCENCE","authors":"D. Turtin, M. Stepovich, N. Shcherbakov","doi":"10.29003/m3085.mmmsec-2022/112-115","DOIUrl":"https://doi.org/10.29003/m3085.mmmsec-2022/112-115","url":null,"abstract":"The results of mathematical modeling and qualitative estimates are described, which make it possible to estimate the distribution of nonequilibrium minority charge carriers generated by an electron probe after their diffusion in a homogeneous semiconductor material. The consideration is carried out for the conditions realized in the method of time-of-flight cathodoluminescence","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126406143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
QUANTUM-MECHANICAL SIMULATION OF THE MAGNETOOPTICAL PROPERTIES OF ONE-DIMENSIONAL COBALT OXIDE NANOWIRE ON THE PLATINUM SURFACE 铂表面一维氧化钴纳米线磁光特性的量子力学模拟
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3090.mmmsec-2022/128-131
K. Tsysar, D. Bazhanov, E. Smelova
{"title":"QUANTUM-MECHANICAL SIMULATION OF THE MAGNETOOPTICAL PROPERTIES OF ONE-DIMENSIONAL COBALT OXIDE NANOWIRE ON THE PLATINUM SURFACE","authors":"K. Tsysar, D. Bazhanov, E. Smelova","doi":"10.29003/m3090.mmmsec-2022/128-131","DOIUrl":"https://doi.org/10.29003/m3090.mmmsec-2022/128-131","url":null,"abstract":"Quantum-mechanical modeling of the magneto-optical properties of one-dimensional cobalt oxide nanowires formed on a stepped surface of platinum has been performed. Calculations have shown the relationship between the optical characteristics of surface cobalt oxide nanowires and their magnetic properties.","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"66 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122292424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
NATIONAL CHALLENGES IN MATERIAL INFORMATICS 材料信息学的国家挑战
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3065.mmmsec-2022/47-51
N. Polkovnikova, I. Kochetov
{"title":"NATIONAL CHALLENGES IN MATERIAL INFORMATICS","authors":"N. Polkovnikova, I. Kochetov","doi":"10.29003/m3065.mmmsec-2022/47-51","DOIUrl":"https://doi.org/10.29003/m3065.mmmsec-2022/47-51","url":null,"abstract":"The paper explores the key areas of interest of scientists in Russia and the world, and also presents a platform for the interaction of science and business material.business.","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"43 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116090807","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
QUANTUM-MECHANICAL STUDY OF THE SUBSTITUTION AND ADSORPTION OF P ATOMS ON SILICENE p原子在硅烯上取代和吸附的量子力学研究
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3095.mmmsec-2022/143-146
A. Prokhorenko, A. Gnidenko, A. Chibisov, M. Chibisova
{"title":"QUANTUM-MECHANICAL STUDY OF THE SUBSTITUTION AND ADSORPTION OF P ATOMS ON SILICENE","authors":"A. Prokhorenko, A. Gnidenko, A. Chibisov, M. Chibisova","doi":"10.29003/m3095.mmmsec-2022/143-146","DOIUrl":"https://doi.org/10.29003/m3095.mmmsec-2022/143-146","url":null,"abstract":"Using quantum mechanical calculations, the binding energies of silicene with phosphorus atoms adsorbed on its surface was determined. The most favorable mutual arrangement of phosphorus atoms on the surface of silicene has been revealed. The change in the charge and local magnetic moment on phosphorus atoms depending on the specified configurations has been studied.","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"114 ","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133685444","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
CONTROL OF COMPUTATIONAL TASKS OF A HPC CLUSTER WHEN SOLVING PROBLEMS OF MATERIALS SCIENCE 高性能计算集群在解决材料科学问题时的计算任务控制
Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI: 10.29003/m3060.mmmsec-2022/24-30
S. Denisov, V. Kondrashev, K. Volovich
{"title":"CONTROL OF COMPUTATIONAL TASKS OF A HPC CLUSTER WHEN SOLVING PROBLEMS OF MATERIALS SCIENCE","authors":"S. Denisov, V. Kondrashev, K. Volovich","doi":"10.29003/m3060.mmmsec-2022/24-30","DOIUrl":"https://doi.org/10.29003/m3060.mmmsec-2022/24-30","url":null,"abstract":"The paper considers approaches to the organization of the computational process in a HPC cluster, taking into account a wide range of computational loads in the problems of computational materials science. For a number of tasks for which the interactive mode of operation in the computing environment of a high-performance cluster is in demand, an approach is proposed to the dynamic distribution of computing resources between job queues serving the flows of interactive and batch computational tasks, which makes it possible to increase the efficiency of loading resources of a HPC cluster with the combined use of interactive and batch approaches to computing..","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"54 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133883924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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