Related papers: The equation of state of solid nickel aluminide
The equation of state (EOS) of alloys at high pressures is generalized with the cluster expansion method. It is shown that this provides a more accurate description. The low temperature EOSs of Ni-Al alloys on FCC and BCC lattices are…
We have carried out a density functional study of unoccupied, resonance states in a single Au atom, dimers, a trimer and infinite Au chains on the NiAl(110) surface. Two inequivalent orientations of the ad-chains with substantially…
An anisotropic equation of state is proposed for accurate extrapolation of high-pressure shock Hugoniot states to other thermodynamics states for shocked single crystals and polycrystalline alloys. The proposed equation of state represents…
Theoretical analysis and experimental results on the combustion in the Ni-Al layered system are presented. Combustion wave temperature and velocity were measured and microstructural and compositional determinations were made. The latter…
Water, ethanol, and ammonia are the key components of the mantles of Uranus and Neptune. To improve structure and evolution models and give an explanation of the magnetic fields and luminosities of the icy giants, those components need to…
The early stage of the reactive interdiffusion in the Cu-Al system was investigated at 350 {\textdegree}C and 300 {\textdegree}C thanks to in-situ transmission electron microscopy. A special care was given to find conditions where the…
Using path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD) simulation methods, we compute a coherent equation of state (EOS) of nitrogen that spans the liquid, warm dense matter (WDM), and plasma regimes.…
The influence of the stress state on the cross-slip rate in Al was analyzed by means of molecular dynamics simulations and transition state theory. The activation energy barrier in the absence of thermal energy was determined through the…
Using two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging…
The equation of state (EOS) of materials at warm dense conditions poses significant challenges to both theory and experiment. We report a combined computational, modeling, and experimental investigation leveraging new theoretical and…
A theoretical model is developed for the interaction of intense femtosecond laser pulses with solid targets on the basis of the two-temperature equation of state for an irradiated substance. It allows the description of the dynamics of the…
By combining ab-initio electron theory and statistical mechanics, the physical properties of the ternary intermetallic system Ni-Fe-Al in the ground state and at finite temperatures were investigated. The Ni-Fe-Al system is not only of high…
Transient diode laser absorption spectroscopy has been used to measure three strong vibronic bands in the near infrared spectrum of the C$_2$H, ethynyl, radical not previously observed in the gas phase. The radical was produced by…
As one of the simple alkali metals, sodium has been of fundamental interest for shock physics experiments, but knowledge of its equation of state (EOS) in hot, dense regimes is not well known. By combining path integral Monte Carlo (PIMC)…
Clustering in low density nuclear matter has been investigated using the NIMROD multi-detector at Texas A&M University. Thermal coalescence modes were employed to extract densities, $\rho$, and temperatures, $T$, for evolving systems formed…
In order to verify and validate the newly developed thermoelectron equation of state (EOS) model that is based on the Wu-Jing (W-J) EOS, calculations of shock compression behavior have been made on five different porous metals-iron, copper,…
We have used a full-potential linear muffin-tin orbital method to calculate the effects of oxygen impurities on the electronic structure of NiAl. Using the supercell method with a 16-atom supercell we have investigated the cases where an…
We report accurate measurements of the equation of state (EOS) of cubic boron nitride by x-ray diffraction up to 160 GPa at 295 K and 80 GPa in the range 500-900 K. Experiments were performed on single-crystals embedded in a…
We use path integral Monte Carlo and density functional molecular dynamics to construct a coherent set of equation of state for a series of hydrocarbon materials with various C:H ratios (2:1, 1:1, 2:3, 1:2, and 1:4) over the range of…
We developed a metallic pressure cell made of nickel-chromium-aluminum (NiCrAl) for use with a non-destructive pulse magnet and a magnetic susceptibility measurement apparatus with a proximity detector oscillator (PDO) in pulsed magnetic…