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Using nonequilibrium molecular dynamics (NEMD) simulations, we study the properties of supercooled liquids of Si under shear at T=1060K over a range of densities encompassing the low-density liquid (LDL) and high-density liquid (HDL) forms.…
We conduct a series of numerical experiments into the nature of three-dimensional (3D) hydrodynamics in the postbounce stalled-shock phase of core-collapse supernovae using 3D general-relativistic hydrodynamic simulations of a…
The neutrino-driven explosion mechanism for core-collapse supernovae in its modern flavor relies on the additional support of hydrodynamical instabilities in achieving shock revival. Two possible candidates, convection and the so-called…
Structural phase transitions often couple to magnetic and electronic degrees of freedom, enabling emergent phenomena in solids. In high-entropy oxides (HEOs), which typically stabilize in highly symmetric cubic phases, such transitions are…
Irradiation-induced vacancy evolution in face-centered cubic (FCC) Ni under mechanical strains was studied using molecular dynamics simulations. Applied hydrostatic strain led to different stable forms of vacancy clusters, i.e., voids under…
The study of isolated defects in solids is a natural target for classical or quantum embedding methods that treat the defect at a high level of theory and the rest of the solid at a lower level of theory. Here, in the context of…
Compositionally graded alloys (CGAs) are often proposed for use in structural components where the combination of two or more alloys within a single part can yield substantial enhancement in performance and functionality. For these…
We have derived the first, fully-cosmological, similarity solutions for CDM halo formation in the presence of nongravitational collisionality, which provides an analytical theory of the effect of the self-interacting dark matter (SIDM)…
Uncertainties in our knowledge of the properties of dense matter near and above nuclear saturation density are among the main sources of variations in multi-messenger signatures predicted for core-collapse supernovae (CCSNe) and the…
The process of uniform supernovae explosions (SNe) is well investigated for all their types. However, observational data suggests that the SNe could be not spherically-symmetric. Modern multi-dimensional simulations of SNe demonstrate…
Nanocrystalline materials are promising candidates for future fusion reactor applications, due to their high density of grain boundaries which may serve as sinks for irradiation induced defects. We use molecular dynamics to simulate…
High Entropy Alloys (HEAs), Multi-principal Component Alloys (MCA), or Compositionally Complex Alloys (CCAs) are alloys that contain multiple principal alloying elements. While many HEAs have been shown to have unique properties, their…
Defects and microstructural features spanning the atomic level to the microscale play deterministic roles in the expressed properties of materials. Yet studies of material evolution in response to environmental stimuli most often correlate…
Icosahedral quasicrystals spontaneously form from the melt in simulations of Al--Cu--Fe alloys. We model the interatomic interactions using oscillating pair potentials tuned to the specific alloy system based on a database of density…
Modern tools for modeling stellar evolution, such as MESA (Modules for Experiments in Stellar Astrophysics), offer state-of-the-art implementations of stellar theories. However, this parametric approach introduces many free parameters that…
The real-time dissolution of the single-phase compositionally complex alloy (CCA), Al1.5TiVCr, was studied using an inline inductively coupled plasma method. Compositionally complex alloys (CCAs), a term encompassing high entropy alloys…
We have studied non-axisymmetric standing accretion shock instability, or SASI, by 3D hydrodynamical simulations. This is an extention of our previous study on axisymmetric SASI. We have prepared a spherically symmetric and steady accretion…
The atomic-level tunability that results from alloying multiple transition metals with d electrons in concentrated solid solution alloys (CSAs), including high-entropy alloys (HEAs), has produced remarkable properties for advanced energy…
High-entropy alloys (HEAs) balance mixing entropy and intermetallic phase formation enthalpy, creating a vast compositional space for structural and functional materials (1-6). They exhibit exceptional strength-ductility trade-offs in…
By 2D hydrodynamic simulations including a detailed equation of state and neutrino transport, we investigate the interplay between different non-radial hydrodynamic instabilities that play a role during the postbounce accretion phase of…