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Register a new userEquation of state and strength of diamond in high pressure ramp loading
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Diamond is used extensively as a component in high energy density experiments, but existing equation of state (EOS) models do not capture its observed response to dynamic loading. In particular, in contrast with first principles theoretical EOS models, no solid-solid phase changes have been detected, and no general-purpose EOS models match the measured ambient isotherm. We have performed density functional theory (DFT) calculations of the diamond phase to ~10TPa, well beyond its predicted range of thermodynamic stability, and used these results as the basis of a Mie-Greuneisen EOS. We also performed DFT calculations of the elastic moduli, and calibrated an algebraic elasticity model for use in simulations. We then estimated the flow stress of diamond by comparison with the stress-density relation measured experimentally in ramp-loading experiments. The resulting constitutive model allows us to place a constraint on the Taylor-Quinney factor (the fraction of plastic work converted to heat) from the observation that diamond does not melt on ramp compression.
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In the canonical ramp compression experiment, a smoothly-increasing load is applied to the surface of the sample, and the particle velocity history is measured at two or more different distances into the sample, at interfaces where the surface of the sample can be probed. The velocity histories are used to deduce a stress-density relation, usually using iterative Lagrangian analysis to account for the perturbing effect of the impedance mismatch at the interface. In that technique, a stress- density relation is assumed in order to correct for the perturbation, and is adjusted until it becomes consistent with the deduced stress-density relation. This process is subject to the usual difficulties of nonlinear optimization, such as the existence of local minima (sensitivity to the initial guess), possible failure to converge, and relatively large computational effort. We show that, by considering the interaction of successive characteristics reaching the interfaces, the stress-density relation can be deduced directly by recursion rather than iteration. This calculation is orders of magnitude faster than iterative analysis, and does not require an initial guess. Direct recursion may be less suitable for very noisy data, but it was robust when applied to trial data. The stress-density relation deduced was identical to the result from iterative Lagrangian analysis.
Room temperature angle-dispersive x-ray diffraction measurements on spinel ZnGa2O4 up to 56 GPa show evidence of two structural phase transformations. At 31.2 GPa, ZnGa2O4 undergoes a transition from the cubic spinel structure to a tetragonal spinel structure similar to that of ZnMn2O4. At 55 GPa, a second transition to the orthorhombic marokite structure (CaMn2O4-type) takes place. The equation of state of cubic spinel ZnGa2O4 is determined: V0 = 580.1(9) A3, B0 = 233(8) GPa, B0= 8.3(4), and B0= -0.1145 GPa-1 (implied value); showing that ZnGa2O4 is one of the less compressible spinels studied to date. For the tetragonal structure an equation of state is also determined: V0 = 257.8(9) A3, B0 = 257(11) GPa, B0= 7.5(6), and B0= -0.0764 GPa-1 (implied value). The reported structural sequence coincides with that found in NiMn2O4 and MgMn2O4.
Tensile tests were conducted on dual-phase high-strength steel in a Split-Hopkinson Tension Bar at a strain-rate in the range of 150-600/s and in a servo-hydraulic testing machine at a strain-rate between 10-3 and 100/s. A novel specimen design was utilized for the Hopkinson bar tests of this sheet material. Digital image correlation was used together with high-speed photography to study strain localisation in the tensile specimens at high rates of strain. By using digital image correlation, it is possible to obtain in-plane displacement and strain fields during non-uniform deformation of the gauge section, and accordingly the strains associated with diffuse and localised necking may be determined. The full-field measurements in high strain-rate tests reveal that strain localisation started even before the maximum load was attained in the specimen. An elasto-viscoplastic constitutive model is used to predict the observed stress-strain behaviour and strain localisation for the dual-phase steel. Numerical simulations of dynamic tensile tests were performed using the non-linear explicit FE code LS-DYNA. Simulations were done with shell (plane stress) and brick elements. Good correlation between experiments and numerical predictions was achieved, in terms of engineering stress-strain behaviour, deformed geometry and strain fields. However, mesh density plays a role in the localisation of deformation in numerical simulations, particularly for the shell element analysis.
This work demonstrates the effectiveness of the high-pressure method for the production of graphite and diamond with a high degree of boron doping using adamantanecarborane mixture as a precursor. At 8 GPa and $1700 ^{o}C$, graphite is obtained from adamantane $C_{10}H_{16}$, whereas microcrystals of boron-doped diamond (2{div}2.5 at.% of boron) are synthesized from a mixture of adamantane and ortho-carborane $C_{2}B_{10}H_{12}$ (atomic ratio B:C = 5:95). This result shows convincingly the catalytical activity of boron in the synthesis of diamond under high pressure. At pressures lower than 7 GPa, only graphite is synthesized from the adamantane and carborane mixture. Graphitization starts at quite low temperatures (below $1400 ^{o}C$) and an increase in temperature simultaneously increases boron content and the quality of the graphite crystal lattice. Thorough study of the material structure allows us to assume that the substitutional boron atoms are distributed periodically and equidistantly from each other in the graphite layers at high boron concentrations (>1 at.%). The theoretical arguments and model ab initio calculations confirm this assumption and explain the experimentally observed boron concentrations.
The negatively charged nitrogen-vacancy (NV-) center in diamond has realized new frontiers in quantum technology. Here, the centers optical and spin resonances are observed under hydrostatic pressures up to 60 GPa. Our observations motivate powerful new techniques to measure pressure and image high pressure magnetic and electric phenomena. Our observations further reveal a fundamental inadequacy of the current model of the center and provide new insight into its electronic structure.
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