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Liquid-Vapor Coexistence and Critical Point of Mg2SiO4 From Ab Initio Simulations

Geophysical Research Letters

Townsend, Joshua P.; Shohet, Gil; Cochrane, Kyle C.

Hypervelocity impact-driven vaporization is characteristic of late-stage planet formation. Yet the behavior and properties of liquid-vapor mixtures of planetary materials of interest are typically unknown. Multiphase equations of state used in hydrodynamic simulations of planet impacts therefore lack reliable data for this important phenomenon. Here, we present the first constraints on the liquid-vapor critical point and coexistence phase boundary of Mg2SiO4 computed from ab initio molecular dynamics simulations. We found that the vapor is depleted in magnesium and enriched in silica and oxygen, while the coexisting liquid is enriched in magnesium and depleted in oxygen, from which we infer vaporization is incongruent. The critical point was estimated from an equation of state fit to the data. The results are in line with recent calculations of MgSiO3 and together confirm that extant multiphase equation of state (EOS) models used in planetary accretion modeling significantly underestimate the amount of supercritical material postimpact.

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High-precision equation of state data for TiO2: A structural analog of SiO2

Physical Review B

Duwal, Sakun D.; McCoy, C.A.; Weck, Philippe F.; Laros, James H.; Hanshaw, Heath L.; Cochrane, Kyle C.; Ao, Tommy A.; Root, Seth R.

The high-pressure response of titanium dioxide (TiO2) is of interest because of its numerous industrial applications and its structural similarities to silica (SiO2). We used three platforms - Sandia's Z machine, Omega Laser Facility, and density-functional theory-based quantum molecular dynamics (QMD) simulations - to study the equation of state (EOS) of TiO2 at extreme conditions. We used magnetically accelerated flyer plates at Sandia to measure Hugoniot of TiO2 up to pressures of 855 GPa. We used a laser-driven shock wave at Omega to measure the shock temperature in TiO2. Our Z data show that rutile TiO2 reaches 2.2-fold compression at a pressure of 855 GPa and Omega data show that TiO2 is a reflecting liquid above 230 GPa. The QMD simulations are in excellent agreement with the experimental Hugoniot in both pressure and temperature. A melt curve for TiO2 is also proposed based on the QMD simulations. The combined experimental results show TiO2 is in a liquid at these explored pressure ranges and is not highly incompressible as suggested by a previous study.

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Use of hydrodynamic theory to estimate electrical current redistribution in metals

Physics of Plasmas

Yu, Edmund Y.; Awe, Thomas J.; Cochrane, Kyle C.; Yates, K.C.; Hutchinson, T.M.; Peterson, Kyle J.; Bauer, Bruno S.

Using the analogy between hydrodynamic and electrical current flow, we study how electrical current density j redistributes and amplifies due to two commonly encountered inhomogeneities in metals. First, we consider flow around a spherical resistive inclusion and find significant j amplification, independent of inclusion size. Hence, even μm-scale inclusions can affect performance in applications by creating localized regions of enhanced Joule heating. Next, we investigate j redistribution due to surface roughness, idealized as a sinusoidal perturbation with amplitude A and wavelength λ. Theory predicts that j amplification is determined by the ratio A/λ, so that even "smooth"surface finishes (i.e., small A) can generate significant amplification, if λ is correspondingly small. We compare theory with magnetohydrodynamic simulation to illustrate both the utility and limitations of the steady-state theory.

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Experimental Validation of Dense Plasma Transport Models using the Z-Machine

Knapp, Patrick K.; Beckwith, Kristian B.; Cochrane, Kyle C.; Clay III, Raymond C.; Mattsson, Thomas M.

Mixing of cold, higher-Z elements into the fuel region of an inertial confinement fusion target spoils the fusion burn efficiency. This mixing process is driven by both "turbulent" and "atomic" mixing processes, the latter being modeled through transport corrections to the basic hydrodynamic models. Recently, there has been a surge in the development of dense plasma transport modeling and the associated transport coefficients; however, experimental validation remains in its infancy.

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Results 51–75 of 136
Results 51–75 of 136