arXiv subjects

Bastian Holst

Publications and source records attributed to Bastian Holst.

7 recordsLinked to original sources

arXiv2018

Ab initio model of optical properties of two-temperature warm dense matter

We present a model to describe thermophysical and optical properties of two-temperature systems consisted of heated electrons and cold ions in a solid lattice that occur during ultrafast heating experiments. Our model is based on ab initio simulations within the framework of density functional theory. The optical properties are obtained by evaluating the Kubo-Greenwood formula. By applying the material parameters of our ab initio model to a two-temperature model we are able to describe the temperature relaxation process of femtosecond-laser-heated gold and its optical properties within the same theoretical framework. Recent time-resolved measurements of optical properties of ultrafast heated gold revealed the dynamics of the interaction between femtosecond laser pulses and solid state matter. Different scenarios obtained from simulations of our study are compared with experimental data [Chen, Holst, Kirkwood, Sametoglu, Reid, Tsui, Recoules, and Ng, Phys. Rev. Lett. 110, 135001 (2013)].

physics.plasm-ph↗

arXiv2012

Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen

Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated within ab initio molecular dynamics simulations in order to study the thermoelectric transport coefficients in dense liquid hydrogen, especially near the nonmetal-to-metal transition region. We also observe significant deviations from the widely used Wiedemann-Franz law which is strictly valid only for degenerate systems and give an estimate for its valid scope of application towards lower densities.

physics.plasm-ph↗

arXiv2012

Hydrogen and deuterium in shock wave experiments, ab initio simulations and chemical picture modeling

We present equation of state data of shock compressed hydrogen and deuterium. These have been calculated in the physical picture by using {\it ab initio} molecular dynamics simulations based on finite temperature density functional theory as well as in the chemical picture via the Saha-D model. The results are compared in detail with data of shock wave experiments obtained for condensed and gaseous precompressed hydrogen and deuterium targets in a wide range of shock compressions from low pressures up to megabars.

physics.plasm-ph↗

arXiv2012

Jupiter models with improved ab initio hydrogen EOS (H-REOS.2)

The amount and distribution of heavy elements in Jupiter gives indications on the process of its formation and evolution. Core mass and metallicity predictions however depend on the equations of state used, and on model assumptions. We present an improved ab initio hydrogen equation of state, H-REOS.2 and compute the internal structure and thermal evolution of Jupiter within the standard three-layer approach. The advance over our previous Jupiter models with H-REOS.1 by Nettelmann et al.(2008) is that the new models are also consistent with the observed 2 or more times solar heavy element abundances in Jupiter's atmosphere. Such models have a rock core mass Mcore=0-8 ME, total mass of heavy elements MZ=28-32 ME, a deep internal layer boundary at 4 or more Mbar, and a cooling time of 4.4-5.0 Gyrs when assuming homogeneous evolution. We also calculate two-layer models in the manner of Militzer et al.(2008) and find a comparable large core of 16-21 ME, out of which ~11 ME is helium, but a significantly higher envelope metallicity of 4.5 times solar. According to our preferred three-layer models, neither the characteristic frequency (nu0 ~156 microHz) nor the normalized moment of inertia (~0.276) are sensitive to the core mass but accurate measurements could well help to rule out some classes of models.

astro-ph.EP↗

arXiv2007

Thermophysical properties of warm dense hydrogen

We study the thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations. New results are presented for the pair distribution functions, the equation of state, the Hugoniot curve, and the reflectivity. We compare with available experimental data and predictions of the chemical picture. Especially, we discuss the nonmetal-to-metal transition which occurs at about 40 GPa in the dense fluid.

physics.plasm-ph↗

arXiv2007

Equation of state for dense hydrogen and plasma phase transition

We calculate the equation of state of dense hydrogen within the chemical picture. Fluid variational theory is generalized for a multi-component system of molecules, atoms, electrons, and protons. Chemical equilibrium is supposed for the reactions dissociation and ionization. We identify the region of thermodynamic instability which is related to the plasma phase transition. The reflectivity is calculated along the Hugoniot curve and compared with experimental results. The equation-of-state data is used to calculate the pressure and temperature profiles for the interior of Jupiter.

physics.plasm-ph↗

arXiv2007

Quantum molecular dynamics simulations for the nonmetal-to-metal transition in fluid helium

We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of state and the Hugoniot curve in the warm dense matter region. The optical conductivity is calculated via the Kubo-Greenwood formula from which the dc conductivity is derived. The nonmetal-to-metal transition is identified at about 1 g/ccm. We compare with experimental results as well as with other theoretical approaches, especially with predictions of chemical models.

physics.plasm-ph↗