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Michael R. von Spakovsky

Publications and source records attributed to Michael R. von Spakovsky.

28 records · Page 2Linked to original sources
arXiv2018

Kinetic Pathways of Phase Decomposition Using Steepest-Entropy-Ascent Quantum Thermodynamics Modeling. Part I: Continuous and Discontinuous Transformations

The decomposition kinetics of a solid-solution into separate phases are analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. This equation and the steepest-entropy-ascent quantum thermodynamic framework of which it is a part make it possible to track kinetic processes in systems in non-equilibrium, while retaining the framework of classical equilibrium thermodynamics. The general equation of motion is particularized for the case of the decomposition of a binary alloy, and a solution model is used to build an approximate energy eigenstructure, or pseudo-eigenstructure, for the alloy system. This equation is then solved with the pseudo-eigenstructure to obtain a unique reaction path and the decomposition kinetics of the alloy. For a hypothetical solid-solution with a miscibility gap at low temperatures, the conditions under which this framework predicts a continuous transformation path (spinodal decomposition) or a discontinuous one (nucleation and growth) are demonstrated.

cond-mat.stat-mech↗
arXiv2018

A Method for Predicting Nonequilibrium Thermal Expansion Using Steepest-Entropy-Ascent Quantum Thermodynamics

Steepest-entropy-ascent quantum thermodynamics (SEAQT) is an intriguing approach that describes equilibrium and dynamic processes in a self-consistent way. The applicability is limited to mainly gas phases because of a complex eigenstructure (eigenvalues and eigenfunctions) of solid or liquid phases. In this contribution, the SEAQT modeling is extended to a condensed phase by constructing a simplified eigenstructure (so-called pseudo-eigenstructure), and the applicability is demonstrated by calculating the thermal expansion of metallic silver in three cases: (a) at stable equilibrium, (b) along three irreversible paths from an initial nonequilibrium state to stable equilibrium, and (c) along an irreversible path between two stable equilibrium states. The SEAQT framework with an anharmonic pseudo-eigenstructure predicts reasonable values for equilibrium thermal expansion. For the irreversible cases considered, the SEAQT approach makes it possible to predict the time-dependence of lattice relaxations from the initial state to the final state.

cond-mat.mtrl-sci↗
arXiv2017

Ab initio relaxation times and time-dependent Hamiltonians within the steepest-entropy-ascent quantum thermodynamic framework

Quantum systems driven by time-dependent Hamiltonians are considered here within the framework of steepest-entropy-ascent quantum thermodynamics (SEAQT) and used to study the thermodynamic characteristics of such systems. In doing so, a generalization of the SEAQT framework valid for all such systems is provided, leading to the development of an ab initio physically relevant expression for the intra-relaxation time, an important element of this framework and one that had as of yet not been uniquely determined as an integral part of the theory. The resulting expression for the relaxation time is valid as well for time-independent Hamiltonians as a special case and makes the description provided by the SEAQT framework more robust at the fundamental level. In addition, the SEAQT framework is used to help resolve a fundamental issue of thermodynamics in the quantum domain, namely, that concerning the unique definition of process-dependent work and heat functions. The developments presented lead to the conclusion that this framework is not just an alternative approach to thermodynamics in the quantum domain but instead one that uniquely sheds new light on various fundamental but as of yet not completely resolved questions of thermodynamics.

cond-mat.stat-mech↗
arXiv2016

Steepest-entropy-ascent quantum thermodynamic modeling of heat and mass diffusion in a far-from-equilibrium system based on a single particle ensemble

This paper presents a nonequilibrium thermodynamic model for the relaxation of a local, isolated system in nonequilibrium using the principle of steepest entropy ascent (SEA), which can be expressed as a variational principle in thermodynamic state space. The model is able to arrive at the Onsager relations for such a system. Since no assumption of local equilibrium is made, the conjugate fluxes and forces, which result, are intrinsic to the subspaces of the system's state space and are defined using the concepts of hypoequilibrium state and nonequilibrium intensive properties, which describe the non-mutual equilibrium status between subspaces of the thermodynamic state space. The Onsager relations are shown to be a thermodynamic kinematic feature of the system independent of the specific details of the micro-mechanical dynamics. Two kinds of relaxation processes are studied with different constraints (i.e., conservation laws) corresponding to heat and mass diffusion. Linear behavior in the near-equilibrium region as well as nonlinear behavior in the far-from-equilibrium region are discussed. Thermodynamic relations in the equilibrium and near-equilibrium realm, including the Gibbs relation, the Clausius inequality, and the Onsager relations, are generalized to the far-from-equilibrium realm. The variational principle in the space spanned by the intrinsic conjugate fluxes and forces is expressed via the quadratic dissipation potential. As an application, the model is applied to the heat and mass diffusion of a system represented by a single particle ensemble, which can also be applied to a simple system of many particles. Phenomenological transport coefficients are also derived in near-equilibrium realm.

cond-mat.stat-mech↗
arXiv2016

Steepest-entropy-ascent quantum thermodynamic modeling of the far-from-equilibrium interactions between nonequilibrium systems of indistinguishable particle ensembles

This paper presents a nonequilibrium, first-principles, thermodynamic-ensemble based model for the relaxation process of interacting non-equilibrium systems. This model is formulated using steepest-entropy-ascent quantum thermodynamics (SEAQT) and its equation of motion for a grand canonical ensemble and is applied to a many particle system of classical or indistinguishable particles. Two kinds of interactions are discussed, including pure heat diffusion and heat and mass diffusion together. Since no local equilibrium assumption is made, the conjugate fluxes and forces are intrinsic to the subspaces of the state space of one system and/or of the state space of the two interacting systems. They are derived via the concepts of hypoequilibrium state and nonequilibrium intensive properties, which describe the nonmutual equilibrium status between subspaces of the thermodynamic state space of a single system and/or of the state space of the two interacting systems. The Onsager relations are shown to be thermodynamic kinematic features of the system and are found without knowledge of the detailed mechanics of the dynamic process. A fundamental thermodynamic explanation for the measurement of each intensive property of a system in a nonequilibrium state is given. The fundamental thermodynamic definition of reservoir is also discussed. Finally, the equation of motion for a system undergoing multiple interactions is provided, which permits the modeling of a network of local systems in nonequilibrium at any spatial and temporal scale.

cond-mat.stat-mech↗
arXiv2007

Comments on Extraction of Work from a Single Thermal Bath in the Quantum Regime

In a PRL [1], the authors claim to show that "the Clausius inequality can be violated, and that it is even possible to extract work from a thermal bath by cyclic variations of a parameter ("perpetuum mobile"), and that the physical cause for this behavior is traced back to quantum coherence in the presence of the nonequilibrium bath (sic)".

quant-ph↗
arXiv2007

Comments on the Quantum Afterburner

A process has been proposed to increase the efficiency of an ideal Otto cycle via a quantum heat engine that has no cooler reservoir. We show that such a process is not feasible.

quant-ph↗
arXiv2004

Quantum Computation and Quantum Information: Are They Related to Quantum Paradoxology?

We review both the Einstein, Podolsky, Rosen (EPR) paper about the completeness of quantum theory, and Schrodinger's responses to the EPR paper. We find that both the EPR paper and Schrodinger's responses, including the cat paradox, are not consistent with the current understanding of quantum theory and thermodynamics. Because both the EPR paper and Schrodinger's responses play a leading role in discussions of the fascinating and promising fields of quantum computation and quantum information, we hope our review will be helpful to researchers in these fields.

quant-ph↗