202 citations · 618 across the 20 of their papers we have counts for
15 papers · 1 filter
Ductility and Brittle Fracture of Tungsten by Disconnection Pile-up on Twin Boundaries
Omar Hussein, Nicolas Bertin, Jakub Veverka +5
Refractory body-centered cubic (BCC) metals and alloys are of extraordinary importance in modern technological and structural applications. However, their wider adoption in science…
Thermal super-jogs control high-temperature strength in Nb-Mo-Ta-W alloys
Sicong He, Xinran Zhou, Dan Mordehai +1
Refractory multi-element alloys (RMEA) with body-centered cubic (bcc) structure have been the object of much research over the last decade due to their high potential as candidate…
Monte Carlo Raytracing Method for Calculating Secondary Electron Emission from Micro-Architected Surfaces
Andrew Alvarado, Hsing-Yin Chang, Warren Nadvornick +2
Secondary electron emission (SEE) from inner linings of plasma chambers in electric thrusters for space propulsion can have a disruptive effect on device performance and efficiency…
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…
Calculation of secondary electron emission yields from low-energy electron deposition in tungsten surfaces
Hsing-Yin Chang, Andrew Alvarado, Jaime Marian
We present calculations of secondary electron emission (SEE) yields in tungsten as a function of primary electron energies between 50 eV and 1 keV and incidence angles between 0 an…
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…
Direct prediction of the solute softening-to-hardening transition in W-Re alloys using stochastic simulations of screw dislocation motion
Yue Zhao, Jaime Marian
Interactions among dislocations and solute atoms are the basis of several important processes in metals plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature…
Mechanism of Re precipitation in irradiated W-Re alloys from kinetic Monte Carlo simulations
Chen-Hsi Huang, Leili Gharaee, Yue Zhao +2
High-temperature, high-dose, neutron irradiation of W results in the formation of Re-rich clusters at concentrations one order of magnitude lower than the thermodynamic solubility…
Energy spectra of primary knock-on atoms under neutron irradiation
Mark R. Gilbert, Jaime Marian, Jean-Christophe Sublet
Materials subjected to neutron irradiation will suffer from a build-up of damage caused by the displacement cascades initiated by nuclear reactions. Previously, the main "measure"…
Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calculations
David Cereceda, Martin Diehl, Franz Roters +3
We use a physically-based crystal plasticity model to predict the yield strength of body-centered cubic (bcc) tungsten single crystals subjected to uniaxial loading. Our model capt…
Thermally-activated Non-Schmid Glide of Screw Dislocations in W using Atomistically-informed Kinetic Monte Carlo Simulations
Alexander Stukowski, David Cereceda, Thomas D. Swinburne +1
Thermally-activated $\small{\nicefrac{1}{2}}<111>$ screw dislocation motion is the controlling plastic mechanism at low temperatures in body-centered cubic (bcc) crystals. Motion p…
Mesoscale computational study of the nano-crystallization of amorphous Ge via a self-consistent atomistic - phase field coupling
Celia Reina, Luis Sandoval, Jaime Marian
Germanium is the base element in many phase-change materials, i.e. systems that can undergo reversible transformations between their crystalline and amorphous phases. They are wide…
Temperature and high strain rate dependence of tensile deformation behavior in single crystal iron from dislocation dynamics simulations
Meijie Tang, Jaime Marian
We conduct dislocation dynamics (DD) simulations of Fe periodic single crystals under tensile load at several high strain rates and temperatures. The simulations are enabled by the…
Thermodynamic interpretation of reactive processes in Ni-Al nanolayers from atomistic simulations
Luis Sandoval, Geoffrey H. Campbell, Jaime Marian
Metals which can form intermetallic compounds by an exothermic reaction constitute a class of reactive materials with multiple applications. Ni-Al laminates of thin alternating lay…
Calculation of the substitutional fraction of ion-implanted He in an Fe target
Paul Erhart, Jaime Marian
Ion-implantation is a useful technique to study irradiation damage in nuclear materials. To study He effects in nuclear fusion conditions, He is co-implanted with damage ions to re…