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19942026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2014 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci2014★ 44 cited

Cascade morphology transition in bcc metals

Wahyu Setyawan, Aaron P. Selby, Niklas Juslin +3

Energetic atom collisions in solids induce shockwaves with complex morphologies. In this paper, we establish the existence of a morphological transition in such cascades. The order…

cond-mat.mtrl-sci2014★ 152 cited

Displacement cascades and defects annealing in tungsten, Part I: defect database from molecular dynamics simulations

Wahyu Setyawan, Giridhar Nandipati, Kenneth J. Roche +3

Molecular dynamics simulations have been used to generate a comprehensive database of surviving defects due to displacement cascades in bulk tungsten. Twenty one data points of pri…

cond-mat.mtrl-sci2014★ 49 cited

Displacement cascades and defects annealing in tungsten, Part II: Object kinetic Monte Carlo Simulation of Tungsten Cascade Aging

Giridhar Nandipati, Wahyu Setyawan, Howard L. Heinisch +3

We describe the results of object kinetic Monte Carlo (OKMC) simulations of the annealing of primary cascade damage in bulk tungsten using a comprehensive database of cascades obta…

cond-mat.mtrl-sci2014★ 12 cited

Self-corrected sensors based on atomic absorption spectroscopy for atom flux measurements in molecular beam epitaxy

Y. Du, T. C. Droubay, A. V. Liyu +2

A high sensitivity atom flux sensor based on atomic absorption spectroscopy has been designed and implemented to control electron beam evaporators and effusion cells in a molecular…

cond-mat.mtrl-sci2014★ 18 cited

Binding of HeV Clusters to -Fe Grain Boundaries

M. A. Tschopp, F. Gao, K. N. Solanki

The objective of this research is to explore the formation/binding energetics and length scales associated with the interaction between HeV clusters and grain boundaries in bcc…