Related papers: Crystal structure informed mesoscale deformation m…
Evolutionary algorithms and the particle swarm optimization method have been used to predict stable and metastable high hydrides of iron between 150-300 GPa that have not been discussed in previous studies. Cmca FeH5, Pmma FeH6 and P2/c…
We have identified the ground state configurations of soft particles (interacting via inverse power potentials) confined between two hard, impenetrable walls. To this end we have used a highly reliable optimization scheme at {\it vanishing}…
Refractory high entropy alloys containing elements from the Ti, V and Cr columns of the periodic table form body centered cubic (BCC) structures. Elements from the Ti column are noteworthy because they take the BCC structure at high…
Using Monte Carlo simulations we study crystallization in the three-dimensional Ising model with four-spin interaction. We monitor the morphology of crystals which grow after placing crystallization seeds in a supercooled liquid. Defects in…
A Crystal Plasticity Finite Element (CPFE) framework is proposed for modeling the non-Schmid yield behavior of L12 type Ni3Al crystals and Ni-based superalloys. This framework relies on the estimation of the non-Schmid model parameters…
The plastic deformation mechanisms of tungsten carbide at room and elevated temperatures influence the wear and fracture properties of WC-Co hardmetal composite materials. The relationship between residual defect structures, including…
Many materials such as martensitic or ferromagnetic crystals are observed to be in metastable states exhibiting a fine-scale, structured spatial oscillation called microstructure; and hysteresis is observed as the temperature, boundary…
We investigate the structure of the medium formed in heavy ion collisions using three different models: the Color String Percolation Model (CSPM), the Core-Shell-Color String Percolation Model (CSCSPM), and the Color Glass Condensate (CGC)…
During the reversible insertion of ions, lattices in intercalation materials undergo structural transformations. These lattice transformations generate misfit strains and volume changes that, in turn, contribute to the structural decay of…
Deformations that conserve the parallelism and the distances --between layers, in smectic phases; between columns, in columnar phases-- are commonplace in liquid crystals. The resulting deformed textures have the same mass density as in the…
Crystal structures of a series of La1-xCexIn3 (x = 0.02, 0.2, 0.5, or 0.8) intermetallic compounds have been investigated by both neutron and X-ray diffraction, and their physical properties have been characterized by magnetic…
We study the temperature structure of the intergalactic medium (IGM) using a large cosmological N-body/SPH simulation. We employ a two-temperature model for the thermal evolution of the ionized gas, in which the relaxation process between…
We use a suite of hydrodynamics simulations of the interstellar medium (ISM) within a galactic disk, which include radiative transfer, a non-equilibrium model of molecular hydrogen, and a realistic model for star formation and feedback, to…
Liquid crystal elastomers are rubber-like solids with liquid crystalline mesogens (stiff, rod-like molecules) incorporated either into the main chain or as a side chain of the polymer. These solids display a range of unusual…
Atomistic simulations are performed to probe the anisotropic deformation in the compressions of face-centred-cubic metallic nanoparticles. In the elastic regime, the compressive load-depth behaviors can be characterized by the classical…
Nanocrystalline Ni can adopt a hexagonal close-packed (hcp) structure,which does not appear in a bulk form under any conditions.Structural studies found its $>$ 20% expansion of volume per atom compared with face-centered cubic (fcc)…
The phase field crystal model allows the study of materials on atomic length and diffusive time scales. It accounts for elastic and plastic deformation in crystal lattices, including several processes such as growth, dislocation dynamics,…
Understanding how the dynamical state of the interstellar medium (ISM) changes across spatial scales can provide important insights into how the gas is organized and ultimately collapses to form stars. To this end, we present ALMA…
Organic molecular crystals are appealing for next-generation optoelectronic applications, most notably due to their multiexciton generation process that can increase the efficiency of photovoltaic devices. However, a general understanding…
The elastic properties of hcp $^4$He samples have been shown to display various anomalies. The elastic shear modulus stiffens and the moment of rotational inertia drops when the temperature is lowered below $\sim$ 0.2 K. The relation…