المؤلفون: Kuopanportti, Pekko, Ropo, Matti, Holmberg, Daniel, Levamaki, Henrik, Kokko, Kalevi, Granroth, Sari, Kuronen, Antti

المساهمون: Department of Physics

مصطلحات موضوعية: Iron-chromium alloy, Molecular dynamics, Tersoff potential, EMBEDDED-ATOM METHOD, ORDER, ALLOYS, MINIMIZATION, ENERGIES, STATE, 114 Physical sciences

وصف الملف: application/pdf

العلاقة: This work was supported by the Academy of Finland (Grants No. 308632 and No. 308633) . The computational resources granted by the CSC - IT Center for Science, Finland, and by the Finnish Grid and Cloud Infrastructure project (FGCI; urn:nbn:fi:research-infras-2016072533) are gratefully acknowledged, as are the facilities provided by the Turku University Centre for Materials and Surfaces (MatSurf) .; Kuopanportti , P , Ropo , M , Holmberg , D , Levamaki , H , Kokko , K , Granroth , S & Kuronen , A 2022 , ' Interatomic Fe-Cr potential for modeling kinetics on Fe surfaces ' , Computational Materials Science , vol. 203 , 110840 . https://doi.org/10.1016/j.commatsci.2021.110840Test; ORCID: /0000-0003-0795-8003/work/106337446; e54ce3fb-7536-4226-abaf-cd60b4b0065b; http://hdl.handle.net/10138/338530Test; 000734348800002

الإتاحة: http://hdl.handle.net/10138/338530Test

المؤلفون: Yoshiaki KOGURE, Tomoko FUNAYAMA, Yasutaka UCHIDA

المصدر: Sensors & Transducers, Vol 237, Iss 9-10, Pp 137-143 (2019)

مصطلحات موضوعية: germanium thin film, molecular dynamics, tersoff potential, crystallization, stress-strain relation, flexible sensor, communication device, Technology (General), T1-995

وصف الملف: electronic resource

العلاقة: https://sensorsportal.com/HTML/DIGEST/september-october_2019/Vol_237/P_3121.pdfTest; https://doaj.org/toc/2306-8515Test; https://doaj.org/toc/1726-5479Test

الوصول الحر: https://doaj.org/article/e69ce7f502ae453395d222c663cb3047Test

المؤلفون: O. V. Uvarova, S. I. Uvarov, О. В. Уварова, С. И. Уваров

المساهمون: This work was supported by the Russian Foundation for Basic Research, project No. 19-29-03051 MK. The calculations were performed using the computing cluster of the Federal Research Center of the Institute of Management of the Russian Academy of Sciences., Работа выполнена при поддержке РФФИ проект № 19-29-03051 мк. При проведении расчетов использовался вычислительный кластер ФИЦ ИУ РАН.

المصدر: Izvestiya Vysshikh Uchebnykh Zavedenii. Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering; Том 23, № 4 (2020); 304-310 ; Известия высших учебных заведений. Материалы электронной техники; Том 23, № 4 (2020); 304-310 ; 2413-6387 ; 1609-3577 ; 10.17073/1609-3577-2020-4

مصطلحات موضوعية: машинное обучение, potential energy of structure, Tersoff potential, machine learning potential, Gaussian Approximation Potential, Gaussian Process Regression, machine learning, потенциальная энергия структуры, потенциал Терсоффа, машиннообучаемый потенциал, Gaussian Approximation Potentials

وصف الملف: application/pdf

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الإتاحة: https://doi.org/10.17073/1609-3577-2020-4-304-310Test
https://doi.org/10.17073/1609-3577-2020-4Test
https://doi.org/10.1016/j.moem.2016.03.001Test
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https://doi.org/10.1002/qua.24927Test
https://doi.org/10.1103/PhysRevB.95.094203Test
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https://doi.org/10.1137/070696325Test
https://doi.org/10.1103/PhysRevLett.98.146401Test

المؤلفون: Fan, Zheyong, Chen, Wei, Vierimaa, Ville, Harju, Ari

المساهمون: Helsinki Institute of Physics

مصطلحات موضوعية: Molecular dynamics simulation, Many-body potential, Tersoff potential, Stillinger-Weber potential, Graphics processing units, Virial stress, Heat current, THERMAL-CONDUCTIVITY, PERFORMANCE, GPU, ORDER, IMPLEMENTATION, SYSTEMS, 113 Computer and information sciences, 114 Physical sciences

وصف الملف: application/pdf

العلاقة: This work was supported by the Academy of Finland through its Centres of Excellence Programme (2015-2017) under project number 284621 and National Natural Science Foundation of China under Grant Nos. 11404033 and 11504384. We acknowledge the computational resources provided by Aalto Science-IT project, Finland's IT Center for Science (CSC), and China Scientific Computing Grid (ScGrid). We thank the great help from the GPU experts from CSC and NVIDIA during the GPU hackathon organized by Sebastian von Alfthan.; Fan , Z , Chen , W , Vierimaa , V & Harju , A 2017 , ' Efficient molecular dynamics simulations with many-body potentials on graphics processing units ' , Computer Physics Communications , vol. 218 , pp. 10-16 . https://doi.org/10.1016/j.cpc.2017.05.003Test; 85019566902; bb4f6b61-8f0e-4ce9-a120-d0575c952bcd; http://hdl.handle.net/10138/307537Test; 000404204800002

الإتاحة: http://hdl.handle.net/10138/307537Test

المؤلفون: Zheyong Fan, Yanzhou Wang, Xiaokun Gu, Ping Qian, Yanjing Su, Tapio Ala-Nissila

مصطلحات موضوعية: Condensed Matter Physics, Tersoff potential, empirical potential fitting, genetic algorithm, thermal conductivity, phonon dispersion, molecular dynamics (MD) simulation, graphics processing units

العلاقة: 2134/14236574.v1; https://figshare.com/articles/journal_contribution/A_minimal_Tersoff_potential_for_diamond_silicon_with_improved_descriptions_of_elastic_and_phonon_transport_properties/14236574Test

الإتاحة: https://figshare.com/articles/journal_contribution/A_minimal_Tersoff_potential_for_diamond_silicon_with_improved_descriptions_of_elastic_and_phonon_transport_properties/14236574Test

المؤلفون: Jianan Zhang, Aditya Koneru, Subramanian Sankaranarayanan, Carmen Lilley

مصطلحات موضوعية: Theory and design of materials, Nanomaterials, blue phosphorene, 2d material interfaces, density functional theory, Graph Neural Network (GNN), Tersoff potential

العلاقة: https://figshare.com/articles/dataset/Blue_Phosphorene_Dataset_for_Graph_Neural_Network_Training/21288066Test

الإتاحة: https://doi.org/10.25417/uic.21288066.v1Test
https://figshare.com/articles/dataset/Blue_Phosphorene_Dataset_for_Graph_Neural_Network_Training/21288066Test

المؤلفون: Leyu Wang, James D. Lee, Cing-Dao Kan

المصدر: International Journal of Smart and Nano Materials, Vol 7, Iss 3, Pp 144-178 (2016)

مصطلحات موضوعية: Thermodynamic conjugacy, logarithmic strain, atomistic stress, deformation gradient, strain energy, interatomic potential, Tersoff potential, atomistic first-order Piola–Kirchhoff stress, atomistic second-order Piola–Kirchhoff stress, atomistic Kirchhoff stress, virial stress, Materials of engineering and construction. Mechanics of materials, TA401-492

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/1947-5411Test; https://doaj.org/toc/1947-542XTest

الوصول الحر: https://doaj.org/article/2b643995e387416b9eeb48c390af70dbTest

المؤلفون: A. S. Minkin, A. A. Knizhnik, B. V. Potapkin

المصدر: Компьютерные исследования и моделирование, Vol 7, Iss 3, Pp 549-558 (2015)

مصطلحات موضوعية: GPGPU, OpenCL, many-body potentials, Tersoff potential, embedded-atom potential, atomic operations, Applied mathematics. Quantitative methods, T57-57.97, Mathematics, QA1-939

وصف الملف: electronic resource

العلاقة: http://crm.ics.org.ru/uploads/crmissues/crm_2015_3/15724.pdfTest; https://doaj.org/toc/2076-7633Test; https://doaj.org/toc/2077-6853Test

الوصول الحر: https://doaj.org/article/2da71498c7614fb3b7be6ddc7ae85e56Test

المؤلفون: THE HUNG TRAN, SZYMON WINCZEWSKI

المصدر: TASK Quarterly, Vol 21, Iss 3 (2017)

مصطلحات موضوعية: central-force decomposition, Tersoff potential, molecular dynamics, empirical potentials, Information technology, T58.5-58.64

وصف الملف: electronic resource

العلاقة: https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1798Test; https://doaj.org/toc/1428-6394Test

الوصول الحر: https://doaj.org/article/9809be1c98ac4fada52968967ef79b5aTest

المؤلفون: ВАСИН АЛЕКСАНДР СЕРГЕЕВИЧ

مصطلحات موضوعية: ТВЕРДЫЕ РАСТВОРЫ,СПЛАВ ГЕРМАНИЙ-ОЛОВО,МЕТОД МОЛЕКУЛЯРНОЙ ДИНАМИКИ,ПОТЕНЦИАЛ ТЕРСОФФА,SOLID SOLUTIONS,GERMANIUM-TIN ALLOY,MOLECULAR DYNAMICS METHOD,TERSOFF POTENTIAL

وصف الملف: text/html

الإتاحة: http://cyberleninka.ru/article/n/modelirovanie-strukturnyh-svoystv-splavov-ge1-x-snxTest
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