Related papers: Elastic anisotropy of 1,3,5-Triamino-2,4,6-Trinitr…
We explore the response of the insensitive high explosive (IHE) 1,3,5-Triamino-2,4,6- trinitrobenzene (TATB) under detonation-induced shock conditions using in-situ synchrotron X-ray diffraction in the 100 ns time scale using either a…
Available information concerning the elastic moduli of refractory carbides at temperatures (T) of relevance for practical applications is sparse and/or inconsistent. We carry out ab initio molecular dynamics (AIMD) simulations at T = 300,…
We present a method based on the Gruneisen formalism to calculate the thermal expansion coefficient (TEC) tensor that is applicable to any crystal system, where the number of phonon calculations associated with different deformations scales…
Experimental phonon imaging in diamond anvils cell is demonstrated to be an adequate tool to extract the complete set of elastic constants of single-crystalline silicon up to the ZB$\rightarrow \beta-$Sn transition (10 GPa). Contrary to…
We investigate the anisotropic flux dynamics in 2H-NbS$_2$ single crystals through temperature-dependent resistance measurements under in-plane ($H \parallel ab$ plane) and out-of-plane ($H \perp ab$ plane) magnetic fields. Analysis of…
We have investigated the thermoelasticity of body-centered cubic (bcc) tantalum from first principles by using the linearized augmented plane wave (LAPW) and mixed--basis pseudopotential methods for pressures up to 400 GPa and temperatures…
The phase behavior of ionic fluids on simple cubic and tetragonal (anisotropic) lattices has been studied by grand canonical Monte Carlo simulations. Systems with both the true lattice Coulombic potential and continuous-space $1/r$…
Kitaev materials often order magnetically at low temperatures due to the presence of non-Kitaev interactions. Torque magnetometry is a very sensitive technique for probing the magnetic anisotropy, which is critical in understanding the…
An overdoped YBa2Cu3O7 single crystal was studied by SQUID and torque magnetometry in order to investigate the temperature dependence of the anisotropy parameter close to the transition temperature T_c (0.87 T_c < T < T_c). Angle dependent…
The elastic moduli, elastic anisotropy coefficients, sound velocities and Poisson's ratio of hcp solid helium have been calculated using density functional theory in generalized gradient approximation (up to $30$ TPa), and pair+triple…
We describe a theoretical and computational approach to calculate the vibrational, elastic, and thermal properties of materials from the low-temperature quantum regime to the high-temperature anharmonic regime. This approach is based on…
The temperature dependence of the upper critical magnetic field (Hc2) in a BaFe1.84Co0.16As2 single crystal was determined via resistivity, for the inter-plane (H^ab) and in-plane (H//ab) directions in pulsed and static magnetic fields of…
Single crystals of BaFe$_2$As$_2$ and (Ba$_{0.55}$K$_{0.45}$)Fe$_2$As$_2$ have been grown out of excess Sn with 1% or less incorporation of solvent. The crystals are exceptionally micaceous, are easily exfoliated and can have dimensions as…
Athermal (i.e. zero-temperature) under-constrained systems are typically floppy, but they can be rigidified by the application of external strain, which is theoretically well understood. Here and in the companion paper, we extend this…
We combine density functional theory within the local density approximation, the quasiharmonic approximation, and vibrational density of states to calculate single crystal elastic constants, and bulk and shear moduli of diamond at…
To study temperature dependent elastic constants, a new computational method is proposed by combining continuum elasticity theory and first principles calculations. A Gibbs free energy function with one variable with respect to strain at…
We report a study of single crystals of the hexagonal rare-earth diboride ErB$_{2}$ prepared by means of the self-adjusted flux travelling-solvent floating-zone technique. Measurements of the magnetization, ac susceptibility, specific heat,…
The structural, electronic, mechanic, vibrational and thermodynamic properties of Ti2SiB which is a hypothetical MAX phase compound, have been investigated using density functional theory calculations. The structural optimization of Ti2SiB…
We present a theoretical scheme to calculate the elastic constants of magnetic materials in the high-temperature paramagnetic state. Our approach is based on a combination of disordered local moments picture and ab initio molecular dynamics…
The effect of a rigid, non-polar and nonmesogenic solute biphenyl ((C_{6}H_{5}-C_{6}H_{5})) on the divergence of the bend elastic constant K_{33} of (4,4^{\prime}) -n-octyl-cyanobiphenyl (8CB) near the smecticA-nematic transition is…