Related papers: The equation of state of solid nickel aluminide
Metals which can form intermetallic compounds by an exothermic reaction constitute a class of reactive materials with multiple applications. Ni-Al laminates of thin alternating layers are being considered as model nanometric metallic…
Ni/Al reactive multilayers are promising materials for applications requiring controlled local energy release and superior mechanical performance. This study systematically investigates the impact of compositional variations, ranging from…
We propose a means for constructing highly accurate equations of state (EOS) for elemental solids and liquids essentially from first principles, based upon a particular decomposition of the underlying condensed matter Hamiltonian for the…
The objective of this work is to improve the robustness and accuracy of numerical simulations of both ideal and non-ideal explosives by introducing temperature dependence in mechanical equations of state for reactants and products. To this…
Direct measurements of photoexcited carrier dynamics in nickel are made using few-femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy at the nickel M$_{2,3}$ edge. It is observed that the core-level absorption lineshape…
The equation of state and the shock Hugoniot of deuterium are calculated using a first-principles approach, for the conditions of the recent shock experiments. We use density functional theory within a classical mapping of the quantum…
The phase stability of NiAl clusters of nanometer size was studied by using the embedded atom model and Monte Carlo simulation techniques. For temperatures of 500 and 1000 K and for a range of compositions below 70 at.% Al, the equilibrium…
The Hugoniot of Ni3Al with L12 structure is calculated with an equation of state (EOS) based on a cluster expansion and variation method from first principles. It is found that an order-disorder transition occurs at a shock pressure of…
We investigated the complex interaction between a nickel layer and a 4H-SiC substrate under UV-laser irradiation since the early stages of the atomic inter-diffusion. An exhaustive description is still lacking in the literature. A…
Elastic constants and zone-boundary phonon frequencies of gold are calculated by total energy electronic structure methods to twofold compression. A generalized force constant model is used to interpolate throughout the Brillouin zone and…
The development of high-brightness free-electron lasers (FEL) has revolutionised our ability to create and study matter in the high-energy-density (HED) regime. Current diagnostic techniques have been very successful in yielding information…
The A-site spinel material, CoAl2O4, is a physical realization of the frustrated diamond-lattice antiferromagnet, a model in which is predicted to contain unique incommensurate or `spin-spiral liquid' ground states. Our previous…
The potential for reactive metal fuels to enhance the energetic output of high explosives has generated an enduring interest in the study of composite explosives. It has typically been demonstrated that added metal fuels can have little or…
Atmospheric pressure steam/oxygen plasma is generated by a 88 Hz, 6kV AC power supply. The properties of the produced plasma are investigated by optical emission spectroscopy (OES). The relative intensity, rotational, vibrational,…
The classic Noh verification test problem is extended beyond the traditional ideal gas and applied to shock compression of condensed matter. Using the stiff-gas equation of state (EOS), which admits an exact analytical solution for the…
Differential force measurements between spheres coated with either nickel or gold and rotating disks with periodic distributions of nickel and gold are reported. The rotating samples are covered by a thin layer of titanium and a layer of…
An anisotropic equation of state (EOS) is proposed for the accurate extrapolation of high-pressure shock Hugoniot (anisotropic and isotropic) states to other thermodynamic (anisotropic and isotropic) states for a shocked carbon-fibre epoxy…
The thermodynamics of the antiferromagnetic ordering transition in NiO and the photoelectron spectra in the antiferromagnetic phase are studied by the Variational Cluster Approximation. Using realistic Racah parameters to describe the…
Equations of state (EOS) calculated from a computationally efficient atom-in-jellium treatment of the electronic structure have recently been shown to be consistent with more rigorous path integral Monte Carlo (PIMC) and quantum molecular…
A first-principles study of the electronic and superconducting properties of the Ni$_2$VAl Heusler compound is presented. The electron-phonon coupling constant of $\lambda_{ep}$ = 0.68 is obtained, which leads to a superconducting…