Development of boron oxide potentials for computer simulations of multicomponent oxide glasses
Lu Deng,Jincheng Du +1 more
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This article is published in Journal of the American Ceramic Society.The article was published on 2019-05-01 and is currently open access. It has received 116 citations till now. The article focuses on the topics: Boron oxide & Oxide.read more
Citations
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Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
Machine learning for glass science and engineering: A review
TL;DR: Some recent progress in adopting machine learning to accelerate the design of new glasses with tailored properties is reviewed.
Journal ArticleDOI
Predicting Densities and Elastic Moduli of SiO2-based Glasses by Machine Learning
Yongjie Hu,Ge Zhao,Ge Zhao,Mingfei Zhang,Bin Bin,Tyler Del Rose,Zhao Qian,Qun Zu,Chen Yang,Sun Xuekun,Maarten de Jong,Liang Qi +11 more
TL;DR: In this article, the densities and elastic moduli of SiO2-based glasses can be efficiently predicted by machine learning (ML) techniques across a complex compositional space with multiple (>10) types of additive oxides besides siO2.
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Recent Advances in Corrosion Science Applicable To Disposal of High-Level Nuclear Waste.
Gerald S. Frankel,John D. Vienna,Jie Lian,Xiaolei Guo,Stéphane Gin,Seong H. Kim,Jincheng Du,Joseph V. Ryan,Jianwei Wang,Wolfgang Windl,Christopher D. Taylor,John R. Scully +11 more
TL;DR: In this paper, the authors describe the recent advances of the field of materials corrosion that are relevant to fundamental materials science issues associated with the longterm performance assessment and the design of materials with improved performance, where performance is defined as resistance to aqueous corrosion.
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Structural origins of the Mixed Alkali Effect in Alkali Aluminosilicate Glasses: Molecular Dynamics Study and its Assessment
Federica Lodesani,Maria Cristina Menziani,Hiroyuki Hijiya,Yoichi Takato,Shingo Urata,Alfonso Pedone +5 more
TL;DR: Five major interatomic potentials for the classical MD simulations are validated by modelling the structure, density, glass transition temperature and ionic conductivity for three aluminosilicate glasses and it was observed that only the core-shell (CS) polarizable force field well reproduces the experimentally measured MAE on T g and the ionic Conductivity.
References
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Journal ArticleDOI
Fast parallel algorithms for short-range molecular dynamics
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.
Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
The Elastic Behaviour of a Crystalline Aggregate
TL;DR: The connection between the elastic behavior of an aggregate and a single crystal is considered in this article, with special reference to the theories of Voigt, Reuss, and Huber and Schmid.
Journal ArticleDOI
Bonding mechanisms at the interface of ceramic prosthetic materials
TL;DR: A theoretical model to explain the interfacial bonding is based upon in-vitro studies of glass-ceramic solubility in interfacial hydroxyapatite crystallization mechanisms, compared with in- vivo rat femur implant histology and ultrastructure results.
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