Zobrazeno 1 - 10
of 112
pro vyhledávání: '"Vasily V. Bulatov"'
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-9 (2024)
Abstract By dispensing with all the atoms and only focusing on dislocation lines, the computational method of Discrete Dislocation Dynamics (DDD) gains greatly over Molecular Dynamics (MD) in simulation efficiency of metal plasticity. But whereas in
Externí odkaz:
https://doaj.org/article/ee16c4a1938c4c17935860faf7ac26c4
Publikováno v:
Physical Review Materials. 5
Accurate methods and an efficient workflow for computing and documenting dislocation core energies are developed and applied to $\frac{1}{2}\ensuremath{\langle}111\ensuremath{\rangle}$ and $\ensuremath{\langle}100\ensuremath{\rangle}$ dislocations in
Autor:
Babak Sadigh, John E. Klepeis, Brian Gallagher, Vasily V. Bulatov, Phanish Suryanarayana, Shashikant Kumar, Sebastien Hamel, Siya Zhu, Amit Samanta
Publikováno v:
The Journal of Chemical Physics. 156:024107
Our ability to perform large scale electronic structures calculations is severely limited by the algorithmic difficulties associated with a Kohn-Sham density functional theory (KSDFT) calculation and the absence of accurate density- dependent kinetic
Autor:
Luis A, Zepeda-Ruiz, Alexander, Stukowski, Tomas, Oppelstrup, Nicolas, Bertin, Nathan R, Barton, Rodrigo, Freitas, Vasily V, Bulatov
Publikováno v:
Nature materials. 20(3)
For millennia, humans have exploited the natural property of metals to get stronger or harden when mechanically deformed. Ultimately rooted in the motion of dislocations, mechanisms of metal hardening have remained in the cross-hairs of physical meta
Autor:
Jörg Rottler, Alejandro Strachan, Vasily V. Bulatov, Ryan B. Sills, Ellad B. Tadmor, Carlos González, Peter A. Schultz, Javier LLorca, Wei Cai, Ingo Steinbach, Alexander L. Shluger, Nicolas Bertin, Markus Hütter, Marc G.D. Geers, Erik Van der Giessen, Woo Kyun Kim, Stephen M. Foiles, Dennis M. Kochmann, Ann E. Mattsson, Gábor Csányi
Publikováno v:
Modelling and Simulation in Materials Science and Engineering
Modelling and Simulation in Materials Science and Engineering, 28 (4)
Modelling and Simulation in Materials Science and Engineering, 28(4):043001
Modelling and Simulation in Materials Science and Engineering, 28(4):043001. Institute of Physics
Modelling and Simulation in Materials Science and Engineering, 28 (4)
Modelling and Simulation in Materials Science and Engineering, 28(4):043001
Modelling and Simulation in Materials Science and Engineering, 28(4):043001. Institute of Physics
Modeling and simulation is transforming modern materials science, becoming an important tool for the discovery of new materials and material phenomena, for gaining insight into the processes that govern materials behavior, and, increasingly, for quan
Publikováno v:
Physical Review Materials. 3
The kink-pair activation enthalpy is a fundamental parameter in the theory of plasticity of body-centered cubic (bcc) metals. It controls the thermally activated motion of screw dislocation at low and intermediate temperatures. While direct atomistic
Publikováno v:
Nature. 550:492-495
The limits of dislocation-mediated metal plasticity are studied by using in situ computational microscopy to reduce the enormous amount of data from fully dynamic atomistic simulations into a manageable form. Fully dynamic atomistic simulations of pl
Autor:
Gregory S. Rohrer, David L. Olmsted, Sutatch Ratanaphan, Vasily V. Bulatov, Anthony D. Rollett, Elizabeth A. Holm
Publikováno v:
Acta Materialia. 88:346-354
Atomistic simulations using the embedded atom method were employed to compute the energies of 408 distinct grain boundaries in bcc Fe and Mo. This set includes grain boundaries that have tilt, twist, and mixed character and coincidence site lattices
Publikováno v:
npj Computational Materials, Vol 4, Iss 1, Pp 1-6 (2018)
Quantum motion of atoms known as zero-point vibration was recently proposed to explain a long-standing discrepancy between theoretically computed and experimentally measured low-temperature plastic strength of iron and possibly other metals with high
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96c22e02153f9b1ac88462e9eae85a59
Publikováno v:
Acta Materialia. 65:161-175
Anisotropy of interfacial energy is the principal driving force for thermally driven microstructure evolution, yet its origins remain uncertain and a quantitative description lacking. We present and justify a concise hypothesis on the topography of t