activity
19942023
most citedPredicting phase behavior of grain boundaries with evolutionary search and machine learning

175 citations · 1k across the 23 of their papers we have counts for

collaborators

23 papers

cond-mat.mtrl-sci2023

A Novel Mechanism for the Formation of Dislocation Cell Patterns in BCC Metal

Jaehyun Cho, Luke L. Hsiung, Robert E. Rudd +1

In this study, we present the first simulation results of the formation of dislocation cell wall microstructures in tantalum subjected to shock loading. Dislocation patterns and ce…

hep-ex2022★ 6 cited

Development of slurry targets for high repetition-rate XFEL experiments

Raymond F. Smith, Vinay Rastogi, Amy E. Lazicki +26

Combining an x-ray free electron laser (XFEL) with high power laser drivers enables the study of phase transitions, equation-of-state, grain growth, strength, and transformation pa…

cond-mat.mtrl-sci2020

Analytic binary alloy volume-concentration relations and the deviation from Zen`s law

A. Landa, J. E. Klepeis, R. E. Rudd +2

Alloys expand or contract as concentrations change, and the resulting relationship between atomic volume and alloy content is an important property of the solid. While a well-known…

cond-mat.mtrl-sci2018★ 37 cited

Free energy of grain boundary phases: Atomistic calculations for 5(310)[001] grain boundary in Cu

Rodrigo Freitas, Robert E. Rudd, Mark Asta +1

Atomistic simulations are employed to demonstrate the existence of a well-defined thermodynamic phase transformation between grain boundary (GB) phases with different atomic struct…

cond-mat.mtrl-sci2018

Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defects

Timofey Frolov, Qiang Zhu, Tomas Oppelstrup +2

We use atomistic simulations to investigate grain boundary (GB) phase transitions in el- emental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of gra…

cond-mat.mtrl-sci2017

Grain boundary phases in bcc metals

T. Frolov, W. Setyawan, R. J. Kurtz +4

We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the…