المؤلفون: Soorani, Mitra

مصطلحات موضوعية: bioactive glass network, mathematical modelling approach, Copper - Physiological effect, material design concept, Glass structure, silicate glass structure, phosphate glass properties, atomic simulation based

الوصول الحر: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.878675Test

المؤلفون: Yun-Fei Shi, Zheng-Xin Yang, Sicong Ma, Pei-Lin Kang, Cheng Shang, P. Hu, Zhi-Pan Liu

المصدر: Engineering, Vol 27, Iss , Pp 70-83 (2023)

مصطلحات موضوعية: Machine learning, Atomic simulation, Catalysis, Retrosynthesis, Neural network potential, Engineering (General). Civil engineering (General), TA1-2040

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2095809923002813Test; https://doaj.org/toc/2095-8099Test

الوصول الحر: https://doaj.org/article/f5b052ed192c4e968604226a7782a6a6Test

المؤلفون: Menon, Sarath, Azocar Guzman, Abril

مصطلحات موضوعية: ontology, research-data-management, rdm, computational-materials-science, atomic-simulation, atomic-structures

العلاقة: https://github.com/pyscal/atomRDF/tree/0.9.2Test; https://dx.doi.org/10.5281/zenodo.10083657Test; https://dx.doi.org/10.5281/zenodo.8146528Test; https://dx.doi.org/10.5281/zenodo.11505752Test; https://dx.doi.org/10.5281/zenodo.11305982Test; https://dx.doi.org/10.5281/zenodo.12531151Test; https://dx.doi.org/10.5281/zenodo.10973345Test; https://dx.doi.org/10.5281/zenodo.10973374Test; https://dx.doi.org/10.5281/zenodo.10213889Test; https://dx.doi.org/10.5281/zenodo.11088472Test; https://dx.doi.org/10.5281/zenodo.10667168Test; https://dx.doi.org/10.5281/zenodo.10600607Test; https://dx.doi.org/10.5281/zenodo.10998490Test; https://dx.doi.org/10.5281/zenodo.10302346Test; https://dx.doi.org/10.5281/zenodo.12570196Test; https://dx.doi.org/10.5281/zenodo.11474640Test; https://dx.doi.org/10.5281/zenodo.10083581Test; https://dx.doi.org/10.5281/zenodo.12553228Test

الإتاحة: https://doi.org/10.5281/zenodo.814652710.5281/zenodo.1008365710.5281/zenodo.814652810.5281/zenodo.1150575210.5281/zenodo.1130598210.5281/zenodo.1253115110.5281/zenodo.1097334510.5281/zenodo.1097337410.5281/zenodo.1021388910.5281/zenodo.1108847210.5281/zenodo.1066716810.5281/zenodo.1060060710.5281/zenodo.1099849010.5281/zenodo.1030234610.5281/zenodo.1257019610.5281/zenodo.1147464010.5281/zenodo.1008358110.5281/zenodo.12553228Test

المؤلفون: Sponza, Lorenzo, Binh Vu, Van, Serrano Richaud, Elisa, Amara, Hakim, Latil, Sylvain

المساهمون: Université Paris Saclay, ONERA, CNRS, Laboratoire d'étude des microstructures (LEM), ONERA-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), European Theoretical Spectroscopy Facility (ETSF), Laboratoire Matériaux et Phénomènes Quantiques (MPQ (UMR_7162)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), ANR Exciplint + Graphene Core 3 (H2020)

المصدر: ISSN: 0031-9007.

مصطلحات موضوعية: twisted bilayer graphene, optical property, atomic simulation, atomistic simulation, twisted bilayer, large angle, angle large, graphène bicouche tourné, hbn - hexagonal boron nitride, propriété optique, simulation atomistique, bicouche torsadée, [SPI]Engineering Sciences [physics], [PHYS]Physics [physics]

العلاقة: hal-04571026; https://hal.science/hal-04571026Test; https://hal.science/hal-04571026/documentTest; https://hal.science/hal-04571026/file/DMAS2024-004-LK18933-Accept%C3%A9e.pdfTest

الإتاحة: https://doi.org/10.1103/PhysRevB.109.L161403Test
https://hal.science/hal-04571026Test
https://hal.science/hal-04571026/documentTest
https://hal.science/hal-04571026/file/DMAS2024-004-LK18933-Accept%C3%A9e.pdfTest

المؤلفون: Menon, Sarath, Guzmán, Abril Azócar

مصطلحات موضوعية: ontology, research-data-management, rdm, computational-materials-science, atomic-simulation, atomic-structures

العلاقة: https://github.com/pyscal/pyscal_rdf/tree/0.0.14Test; https://dx.doi.org/10.5281/zenodo.8146527Test

الإتاحة: https://doi.org/10.5281/zenodo.814652810.5281/zenodo.8146527Test
https://zenodo.org/record/8146528Test

المؤلفون: Hao-Song Liu (14275864), Yao-Ping Xie (3737473), Wen-Yan Zhou (12680115), Hong-Ying Pei (14275867), Fei-Fei Kang (14275870)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Physiology, Hematology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, using microstructure characterization, stochastic surface walking, improve mechanical performance, gold bonding wires, atomic simulation based, solute drag effect, gb ), increases, ce significantly segregates, gb shuffling motion, shuffling motion, obvious effect, well accounts, important strategy, grain boundary, energy barrier, developing high, chip miniaturization, alloying element

العلاقة: https://figshare.com/articles/journal_contribution/Grain_Refinement_via_Changing_the_Shuffling_Motion_of_the_Grain_Boundary_by_Traces_of_Ce_and_Lu_in_Gold_Alloys/21747535Test

الإتاحة: https://doi.org/10.1021/acs.jpcc.2c07626.s004Test

المؤلفون: Lina Wei, Lin Zhang

المصدر: Nanomaterials; Volume 12; Issue 8; Pages: 1361

مصطلحات موضوعية: DFTB, carbon nanotube, graphene, atomic simulation

وصف الملف: application/pdf

العلاقة: https://dx.doi.org/10.3390/nano12081361Test

الإتاحة: https://doi.org/10.3390/nano12081361Test

المؤلفون: Danjo De Chavez, Jun-ya Hasegawa

المصدر: SoftwareX, Vol 16, Iss , Pp 100879- (2021)

مصطلحات موضوعية: Mechanochemistry, Molecular simulations, Quantum chemistry, Atomic simulation environment, Potential energy surface, Computer software, QA76.75-76.765

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2352711021001436Test; https://doaj.org/toc/2352-7110Test

الوصول الحر: https://doaj.org/article/83a78cfbf78b4c18aceb6b473c01753bTest

المؤلفون: Shoubing Ding, Yue Li, Yiying Luo, Zhimin Wu, Xinqiang Wang

المصدر: Frontiers in Chemistry, Vol 9 (2021)

مصطلحات موضوعية: Ti-Cr-N ternary system, atomic simulation, multilayered coatings, 2NN MEAM, interaction potential PACS:31.15.bu, 62.20.dq, 68.35.-p, 71.15.Nc, Chemistry, QD1-999

وصف الملف: electronic resource

العلاقة: https://www.frontiersin.org/articles/10.3389/fchem.2021.773015/fullTest; https://doaj.org/toc/2296-2646Test

الوصول الحر: https://doaj.org/article/3f3ff9e61e2744c094f03cf4cd38e2fbTest

المؤلفون: Baiyili Liu, Qian Zhang, Shaoqiang Tang

المصدر: Theoretical and Applied Mechanics Letters, Vol 11, Iss 1, Pp 100226- (2021)

مصطلحات موضوعية: Atomic simulation, Finite temperature, Machine learning, Heat jet approach, Engineering (General). Civil engineering (General), TA1-2040

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2095034921000313Test; https://doaj.org/toc/2095-0349Test

الوصول الحر: https://doaj.org/article/d9b07ebf77454a3fb9324bd3640d873cTest