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Sorin Bastea

Publications and source records attributed to Sorin Bastea.

17 recordsLinked to original sources
arXiv2021

Structural study of TATB under detonation-induced shock conditions

We explore the response of the insensitive high explosive (IHE) 1,3,5-Triamino-2,4,6- trinitrobenzene (TATB) under detonation-induced shock conditions using in-situ synchrotron X-ray diffraction in the 100 ns time scale using either a conventional or a colliding detonation drive. In all of the detonation experiments on various sizes and morphologies of TATB, we observe an extended stability of the TATB triclinic crystal structure. As the detonation front passes through the TATB, X-ray diffraction indicates a portion of the TATB exhibits a compression up to 30+ GPa, followed subsequently by a pressure release and continued decomposition over a few hundred nanoseconds. Likewise, for colliding detonation-driven shock compression of single crystals of TATB, a significant portion of the triclinic crystal structure appears to be stable up to 60+ GPa. Conversely, in similar detonations of a LLM-105 PBX, X-ray diffraction is simply indicative of decomposition without the apparent compression and slow decomposition seen in TATB. The results indicate the surprising resilience of TATB under these high-pressure, temperature and shock conditions, providing a baseline for understanding the insensitivity of TATB that is considered the industry standard for an insensitive high explosive. The results also provide intriguing information for the extended reaction zone in TATB, and the hot-spot mechanisms for initiating and propagating detonation in this uniquely insensitive explosive.

cond-mat.mtrl-sci↗
arXiv2020

Detonation-induced transformation of graphite to hexagonal diamond

We explore the structural evolution of highly oriented pyrolytic graphite (HOPG) under detonation-induced shock conditions using in-situ synchrotron X-ray diffraction in the ns time scale. We observe the formation of hexagonal diamond (lonsdaleite) at pressures above 50 GPa, in qualitative agreement with recent gas gun experiments. First-principles density functional calculations reveal that under uniaxial compression the energy barrier for the transition towards hexagonal diamond is lower than cubic diamond. Finally, no indication of cubic diamond formation was observed up to >70 GPa.

cond-mat.mtrl-sci↗
arXiv2010

Diffusion and conduction in a salt-free colloidal suspension via molecular dynamics simulations

Molecular dynamics (MD) simulations are used to determine the diffusion coefficients, electrophoretic mobilities and electrical conductivity of a charged colloidal suspension in the salt-free regime as a function of the colloid charge. The behavior of the colloidal particles' diffusion constant can be well understood in terms of two coupled effects: counterion 'condensation' and slowdown due to the relaxation effect. We find that the conductivity exhibits a maximum which approximately separates the regimes of counterion-dominated and colloid-dominated conduction. We analyze the electrophoretic mobilities and the conductivity in terms of commonly employed assumptions about the role of "free" and "condensed" counterions, and discuss different interpretations of this approach.

cond-mat.soft↗
arXiv2007

Transport in a highly asymmetric binary fluid mixture

We present molecular dynamics calculations of the thermal conductivity and viscosities of a model colloidal suspension with colloidal particles roughly one order of magnitude larger than the suspending liquid molecules. The results are compared with estimates based on the Enskog transport theory and effective medium theories (EMT) for thermal and viscous transport. We find, in particular, that EMT remains well applicable for predicting both the shear viscosity and thermal conductivity of such suspensions when the colloidal particles have a ``typical'' mass, i.e. much larger than the liquid molecules. Very light colloidal particles on the other hand yield higher thermal conductivities, in disagreement with EMT. We also discuss the consequences of these results to some proposed mechanisms for thermal conduction in nanocolloidal suspensions.

cond-mat.stat-mech↗
arXiv2006

Aggregation kinetics in a model colloidal suspension

We present molecular dynamics simulations of aggregation kinetics in a colloidal suspension modeled as a highly asymmetric binary mixture. Starting from a configuration with largely uncorrelated colloidal particles the system relaxes by coagulation-fragmentation dynamics to a structured state of low-dimensionality clusters with an exponential size distribution. The results show that short-range repulsive interactions alone can give rise to so-called cluster phases. For the present model and probably other, more common colloids, the observed clusters appear to be equilibrium phase fluctuations induced by the entropic inter-colloidal attractions.

cond-mat.stat-mech↗
arXiv2006

Kinetics of propagating phase transformation in compressed bismuth

We observed dynamically driven phase transitions in isentropically compressed bismuth. By changing the stress loading conditions we explored two distinct cases: one in which the experimental signature of the phase transformation corresponds to phase-boundary crossings initiated at both sample interfaces, and another in which the experimental trace is due to a single advancing transformation front in the bulk of the material. We introduce a coupled kinetics - hydrodynamics model that for this second case enables us, under suitable simplifying assumptions, to directly extract characteristic transition times from the experimental measurements.

cond-mat.mtrl-sci↗
arXiv2006

Viscosity and mutual diffusion in strongly asymmetric binary ionic mixtures

We present molecular dynamics simulation results for the viscosity and mutual diffusion constant of a strongly asymmetric binary ionic mixture (BIM). We compare the results with available theoretical models previously tested for much smaller asymmetries. For the case of viscosity we propose a new predictive framework based on the linear mixing rule, while for mutual diffusion we discuss some consistency problems of widely used Boltzmann equation based models.

physics.plasm-ph↗
arXiv2004

Transport properties of dense fluid argon

We calculate using molecular dynamics simulations the transport properties of realistically modeled fluid argon at pressures up to $\simeq 50GPa$ and temperatures up to $3000K$. In this context we provide a critique of some newer theoretical predictions for the diffusion coefficients of liquids and a discussion of the Enskog theory relevance under two different adaptations: modified Enskog theory (MET) and effective diameter Enskog theory. We also analyze a number of experimental data for the thermal conductivity of monoatomic and small diatomic dense fluids.

cond-mat.stat-mech↗
arXiv2002

Hydrodynamics of binary fluid phase segregation

Starting with the Vlasov-Boltzmann equation for a binary fluid mixture, we derive an equation for the velocity field $\bm{u}$ when the system is segregated into two phases (at low temperatures) with a sharp interface between them. $\bm{u}$ satisfies the incompressible Navier-Stokes equations together with a jump boundary condition for the pressure across the interface which, in turn, moves with a velocity given by the normal component of $\bm{u} $. Numerical simulations of the Vlasov-Boltzmann equations for shear flows parallel and perpendicular to the interface in a phase segregated mixture support this analysis. We expect similar behavior in real fluid mixtures.

cond-mat.stat-mech↗
arXiv2002

Living polymers in a size-asymmetric electrolyte

A living polymers transition is found in molecular dynamics simulations of a charge-symmetric size-asymmetric electrolyte with no anisotropic interactions. The fluid has strong polymeric character at low temperatures, where it consists of large, alternating-charge linear chains and rings in chemical equilibrium. A mean-field theory of chain association is consistent with the existence of such a transition. In the polymeric phase the system is very weakly conducting or electrically insulating.

cond-mat.stat-mech↗
arXiv2002

Electrical conductivity of lithium at megabar pressures

We report measurements of the electrical conductivity of a liquid alkali metal - lithium - at pressures up to 1.8 Mbar and fourfold compression, achieved through shock compression experiments. We find that the results are consistent with a departure of the electronic properties of lithium from the nearly free electron approximation at high pressures.

cond-mat↗
arXiv2001

Surface-Directed Spinodal Decomposition in Binary Fluid Mixtures

We consider the phase separation of binary fluids in contact with a surface which is preferentially wetted by one of the components of the mixture. We review the results available for this problem and present new numerical results obtained using a mesoscopic-level simulation technique for the 3-dimensional problem.

cond-mat.stat-mech↗
arXiv2000

Consistent Anisotropic Repulsions for Simple Molecules

We extract atom-atom potentials from the effective spherical potentials that suc cessfully model Hugoniot experiments on molecular fluids, e.g., $O_2$ and $N_2$. In the case of $O_2$ the resulting potentials compare very well with the atom-atom potentials used in studies of solid-state propertie s, while for $N_2$ they are considerably softer at short distances. Ground state (T=0K) and room temperatu re calculations performed with the new $N-N$ potential resolve the previous discrepancy between experimental and theoretical results.

cond-mat.mtrl-sci↗
arXiv1998

Ground State Structure of Random Magnets

Using exact optimization methods, we find all of the ground states of +/- h random-field Ising magnets (RFIM) and of dilute antiferromagnets in a field (DAFF). The degenerate ground states are usually composed of isolated clusters (two-level systems) embedded in a frozen background. We calculate the paramagnetic response (sublattice response) and the ground state entropy for the RFIM (DAFF) due to these clusters. In both two and three dimensions there is a broad regime in which these quantities are strictly positive, even at irrational values of h/J (J is the exchange constant).

cond-mat.dis-nn↗
arXiv1998

Degeneracy Algorithm for Random Magnets

It has been known for a long time that the ground state problem of random magnets, e.g. random field Ising model (RFIM), can be mapped onto the max-flow/min-cut problem of transportation networks. I build on this approach, relying on the concept of residual graph, and design an algorithm that I prove to be exact for finding all the minimum cuts, i.e. the ground state degeneracy of these systems. I demonstrate that this algorithm is also relevant for the study of the ground state properties of the dilute Ising antiferromagnet in a constant field (DAFF) and interfaces in random bond magnets.

cond-mat.dis-nn↗