37 citations · 167 across the 20 of their papers we have counts for
21 papers
Modeling Dynamic Magnetic Response of Spinel Soft Ferrites with the Steepest-Entropy-Ascent Quantum Thermodynamics Formalism
Deepak Dhariwal, William T. Reynolds, Michael R. von Spakovsky
Selecting soft ferrites for alternating-field applications requires balancing magnetic response, dissipation, nonlinearity, and heating. We use a field-driven steepest-entropy-asce…
Field-Driven Coupled Magnon--Phonon--Electron Relaxation in Magnetite Using Steepest-Entropy-Ascent Quantum Thermodynamic Formalism
Deepak Dhariwal, William T. Reynolds, Michael R. von Spakovsky
A field-driven steepest-entropy-ascent quantum thermodynamic (SEAQT) formulation is developed for longitudinal nonequilibrium relaxation in magnetite (FeO) with coupled ele…
Evolution of Hypoequilibrium States in Steepest Entropy Ascent Models for Nonequilibrium Quantum Thermodynamics
Gian Paolo Beretta, Rohit Kishan Ray, Michael R. von Spakovsky
A formal development of the hypoequilibrium (HE) state concept within the Steepest-Entropy-Ascent Quantum Thermodynamics (SEAQT) framework is presented, emphasizing its rigorous ma…
Energy Eigenstates of Electrons, Magnons and Phonons in FeO (magnetite), MnFeO (jacobsite), and mixed Mn-Zn ferrites
Deepak Dhariwal, Michael R. von Spakovsky, William T. Reynolds
We report first-principles calculations of the electronic structure, magnon excitations, and phonons in magnetite (FeO), jacobsite (MnFeO), and mixed manganese-zinc…
Non-equilibrium and equilibrium thermodynamic foundations of the 2D toric code within the SEAQT framework
Cesar Damian, Adriana Saldana-Robles, Michael von Spakovsky
The 2D toric code is a prototypical example that exhibits non-trivial topological properties and a ground state possessing a non-trivial topological order. Until now, all the cases…
Modeling the effects of perturbations and steepest entropy ascent on the time evolution of entanglement
Cesar Damian, Robert Holladay, Adriana Saldana +1
This work presents an analysis of the evolution of perturbed Bell diagonal states using the equation of motion of steepest-entropy-ascent quantum thermodynamics (SEAQT), the Lindbl…
Predicting Ion Sequestration in Charged Polymers with the Steepest-Entropy-Ascent Quantum Thermodynamic Framework
Jared McDonald, Michael R. von Spakovsky, William T. Reynolds
The steepest-entropy-ascent quantum thermodynamic framework is used to investigate the effectiveness of multi-chain polyethyleneimine-methylenephosphonic acid in sequestering rare-…
Predicting Coupled Electron and Phonon Transport Using Steepest-Entropy-Ascent Quantum Thermodynamics
J. A. Worden, M. R. von Spakovsky, C. Hin
The principal paradigm for determining the thermoelectric properties of materials is based on the Boltzmann transport equations (BTEs) or Landauer equivalent. These equations depen…
Predicting Polymer Brush Behavior in Solvents using the Steepest-Entropy-Ascent Quantum Thermodynamic Framework
Jared McDonald, Michael R. von Spakovsky, William T. Reynolds
The steepest-entropy-ascent quantum thermodynamic (SEAQT) framework is utilized to study the effects of temperature on polymer brushes. The brushes are represented by a discrete en…
Predicting Non-Equilibrium Folding Behavior of Polymer Chains using the Steepest-Entropy-Ascent Quantum Thermodynamic Framework
Jared McDonald, Michael R. von Spakovsky, William T. Reynolds
The Replica Exchange Wang-Landau Method is used to estimate the energy landscape of a polymer composed of a simple hydrophobic and polar sequence using the HP protein model. Calcul…
Decoherence predictions in a superconductive quantum device using the steepest-entropy-ascent quantum thermodynamics framework
J. A. Montanez-Barrera, M. R. von Spakovsky, C. E. Damian-Ascencio +1
The current stage of quantum computing technology, called noisy intermediate-scale quantum (NISQ) technology, is characterized by large errors that prohibit it from being used for…
Method for Generating Randomly Perturbed Density Operators Subject to Different Sets of Constraints
J. A. Montanez-Barrera, R. T. Holladay, G. P. Beretta +1
This paper presents a general method for producing randomly perturbed density operators subject to different sets of constraints. The perturbed density operators are a specified "d…
Entropy-Driven Microstructure Evolution Predicted with the Steepest-Entropy-Ascent Quantum Thermodynamic Framework
Jared McDonald, Michael R. von Spakovsky, William T. Reynolds
A Potts model and the Replica Exchange Wang-Landau algorithm are used to construct an energy landscape for a crystalline solid containing surfaces and grain boundaries. The energy…
Steepest-Entropy-Ascent Quantum Thermodynamics Models in Materials Science
Ryo Yamada, Michael R. von Spakovsky, William T. Reynolds
Steepest-entropy-ascent quantum thermodynamics, or SEAQT, is a unified approach of quantum mechanics and thermodynamics that avoids many of the inconsistencies that can arise betwe…
Kinetic Pathways of Phase Decomposition Using Steepest-Entropy-Ascent Quantum Thermodynamics Modeling. Part I: Continuous and Discontinuous Transformations
Ryo Yamada, Michael R. von Spakovsky, William T. Reynolds
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 syst…
Low-temperature Atomistic Spin Relaxation and Non-equilibrium Intensive Properties Using Steepest-Entropy-Ascent Quantum-Inspired Thermodynamics Modeling
Ryo Yamada, Michael R. von Spakovsky, William T. Reynolds
The magnetization of body-centered cubic iron at low temperatures is calculated with the steepest-entropy-ascent quantum thermodynamics (SEAQT) framework. This framework assumes th…
A Method for Predicting Nonequilibrium Thermal Expansion Using Steepest-Entropy-Ascent Quantum Thermodynamics
Ryo Yamada, Michael R. von Spakovsky, William T. Reynolds
Steepest-entropy-ascent quantum thermodynamics (SEAQT) is an intriguing approach that describes equilibrium and dynamic processes in a self-consistent way. The applicability is lim…
Ab initio relaxation times and time-dependent Hamiltonians within the steepest-entropy-ascent quantum thermodynamic framework
ILki Kim, Michael R. von Spakovsky
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 therm…
Steepest-entropy-ascent quantum thermodynamic modeling of the far-from-equilibrium interactions between nonequilibrium systems of indistinguishable particle ensembles
Guanchen Li, Michael R. von Spakovsky
This paper presents a nonequilibrium, first-principles, thermodynamic-ensemble based model for the relaxation process of interacting non-equilibrium systems. This model is formulat…
Steepest-entropy-ascent quantum thermodynamic modeling of heat and mass diffusion in a far-from-equilibrium system based on a single particle ensemble
Guanchen Li, Michael R. von Spakovsky
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), whic…
Steepest-entropy-ascent quantum thermodynamic framework for describing the non-equilibrium behavior of a chemically reactive system at an atomistic level
Gian Paolo Beretta, Michael von Spakovsky
Steepest-Entropy-Ascent Quantum Thermodynamics (SEAQT) provides a general framework for the description of non-equilibrium phenomena at any level, particularly the atomistic one. T…