Related papers: The equation of state of solid nickel aluminide
Three low-valence layered nickelates with general formula La$_3$Ni$_2$O$_{7-\delta}$ ($\delta$=0.0, 0.5, 1) are studied by ab initio techniques. Both the insulating and metallic limits are analyzed, together with the compound at the Mott…
We present a finite-temperature density functional theory investigation of the nonequilibrium transient electronic structure of warm dense Li, Al, Cu, and Au created by laser excitation. Photons excite electrons either from the inner shell…
Low temperature solution combustion synthesis emerges as a facile method for synthesis of functional metal oxides thin films for electronic applications. We study the solution combustion synthesis process of Cu:NiOx using different molar…
The behavior of metals at high pressure is of great importance to the fields of shock physics, geophysics, astrophysics, and nuclear materials. In order to further understand the properties of metals at high pressures we studied the…
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X1{\Sigma}+ electronic…
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…
We provide an ab-initio scaling analysis for liquid film thickness and Nusselt number of a steady laminar jet impacting a rotating heated plate. The limiting scaling regimes incorporating the evaporative effects along the liquid-vapor…
Ni-based structural alloys in molten salt environments often experience simultaneous mechanical loading and corrosive attack, yet the mechanisms governing stress-corrosion interactions remain unclear. Prior studies largely emphasize tensile…
To achieve an understanding of the thermalization of a quark-gluon plasma, starting from QCD without using model assumptions, is a formidable task. We study the early stage dynamics of a relativistic heavy ion collision in the framework of…
Nuclear collisions at high energies produce a gluon field that can be described using the Colour Glass Condensate (CGC) effective theory at proper times $\tau \lesssim 1$ fm/c. The theory can be used to calculate the gluon energy-momentum…
The melting curve and fluid equation of state of carbon dioxide have been determined under high pressure in a resistively-heated diamond anvil cell. The melting line was determined from room temperature up to $11.1\pm0.1$ GPa and $800\pm5$…
Among the numerous molecular systems found in the interstellar medium (ISM), vinyl cyanide is the first identified olephinic nitrile. While it has been observed in various sources, its detection in Sgr B2 is notable as the 2$_{11}$-2$_{12}$…
This paper deals with the analytic derivation of a complete equation of state (EOS) for solids from shock-wave data in the range of pressures and temperatures, attained by detonation of chemical explosives. The caloric, the thermal and the…
We use our recently proposed accelerated dynamics algorithm (Tiwary & van de Walle, 2011) to calculate temperature and stress dependence of activation free energy for surface nucleation of dislocations in pristine Gold nanopillars under…
A numerical method presented by Imshennik et al. (2002) is used to solve the two dimensional axisymmetric hydrodynamic problem on the formation of a toroidal atmosphere during the collapse of an iron stellar core and outer stellar layers.…
The theory and experiments concerned with the electron-ion thermal relaxation and melting of overheated crystal lattice constitute the subject of this paper. The physical model includes two-temperature equation of state, many-body…
Linear stability analysis is performed using a combination of two-dimensional Direct Simulation Monte Carlo (DSMC) method for the computation of the basic state and solution of the pertinent eigenvalue problem, as applied to the canonical…
The very first in-ring reaction experiment at the HIRFL-CSR heavy-ion storage ring, namely proton elastic scattering on stable $^{58}$Ni nuclei, is presented. The circulating $^{58}$Ni$^{19+}$ ions with an energy of 95 MeV/u were…
The atomic and electronic structures of Pd3N, PdN and PdN2 were investigated using ab initio density-functional theory (DFT). We studied cohesive energy vs. volume equation of states (EOS) for a set of reported and hypothetical structures.…
Electronic stopping cross sections (SCS) of nickel, silicon and nickel-silicon alloys for protons and helium (He) ions are studied in the regime of medium and low energy ion scattering, i.e., for ion energies in the range from 500 eV to 200…