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Autor:
Elizabeth Stippell, Lorena Alzate-Vargas, Kashi N. Subedi, Roxanne M. Tutchton, Michael W.D. Cooper, Sergei Tretiak, Tammie Gibson, Richard A. Messerly
Publikováno v:
Artificial Intelligence Chemistry, Vol 2, Iss 1, Pp 100042- (2024)
Despite uranium dioxide (UO2) being a widely used nuclear fuel, fuel performance models rely extensively on empirical correlations of material behavior, leveraging the historical operating experience of UO2. Mechanistic models that consider an atomis
Externí odkaz:
https://doaj.org/article/fc9066d998994146a05d1c7a1baf1618
Publikováno v:
Journal of Materials Research and Technology, Vol 28, Iss , Pp 2086-2097 (2024)
Designing hydrogen-resistant Ni-based alloys from the perspective of the Ni/graphene interface (NGI) provides the potential to increase hydrogen trapping away from potential fracture paths. Nonetheless, numerous essential mechanisms of hydrogen penet
Externí odkaz:
https://doaj.org/article/9d549611ddc444399688e8661ca6e853
Publikováno v:
Journal of Magnesium and Alloys, Vol 11, Iss 12, Pp 4498-4512 (2023)
Pyramidal dislocations in magnesium (Mg) and other hexagonal close-packed metals play an important role in accommodating plastic strains along the c-axis. Bulk single crystal Mg only presents very limited plasticity in c-axis compression, and this be
Externí odkaz:
https://doaj.org/article/1286c1abe91c48f7b5e631e96366d102
Publikováno v:
Materials Research Letters, Vol 11, Iss 12, Pp 1055-1062 (2023)
Through atomistic simulations, we uncover the dynamic properties of the Cantor alloy under shock-loading conditions and characterize its equation-of-state over a wide range of densities and pressures along with spall strength at ultra-high strain rat
Externí odkaz:
https://doaj.org/article/528409718a654291996fbd3159fface7
Publikováno v:
Polymers, Vol 16, Iss 17, p 2530 (2024)
Polymer nanocomposites are characterized by heterogeneous mechanical behavior and performance, which is mainly controlled by the interaction between the nanofiller and the polymer matrix. Optimizing their material performance in engineering applicati
Externí odkaz:
https://doaj.org/article/ecb31b5cc81b4fa49f0d665eabe862a3
Publikováno v:
Advances in Physics: X, Vol 8, Iss 1 (2023)
ABSTRACTThe deformation of interatomic distances with respect to those of the perfect crystal generates atomic-level strain. In nanoalloys, strain can arise because of finite size, morphology, domain structure and lattice mismatch between their atomi
Externí odkaz:
https://doaj.org/article/cd3d33a65c6b48dfa25a91b58ea1b248
Autor:
Moriarty, John A., author
Publikováno v:
Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys, 2023, ill.
Externí odkaz:
https://doi.org/10.1093/oso/9780198822172.003.0013
Autor:
Moriarty, John A., author
Publikováno v:
Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys, 2023, ill.
Externí odkaz:
https://doi.org/10.1093/oso/9780198822172.003.0001
Publikováno v:
Materials Genome Engineering Advances, Vol 1, Iss 1, Pp n/a-n/a (2023)
Abstract Calcium carbonate (CaCO3) is a crucial mineral with great scientific relevance in biomineralization and geoscience. However, excessive precipitation of CaCO3 is posing a threat to industrial production and the aquatic environment. The utiliz
Externí odkaz:
https://doaj.org/article/80f7286b6de747a88ff2cc48e3f36d15