6 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…
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…
Model for Predicting Adsorption Isotherms and the Kinetics of Adsorption via Steepest-Entropy-Ascent Quantum Thermodynamics
Adriana Saldana-Robles, Cesar Damian, William T. Reynolds +1
This work outlines the foundations for being able to do a first-principle study of the adsorption process using the steepest-entropy-ascent quantum thermodynamic (SEAQT) framework,…
Steepest-Entropy-Ascent Framework for Predicting Arsenic Adsorption on Graphene Oxide Surfaces -- A Case Study
Adriana Saldana-Robles, Cesar Damian, Michael R. von Spakovsky +1
Water contamination by arsenic(V) constitutes a major public-health concern, underscoring the need for models that capture both equilibrium and transient adsorption behaviour. A fr…
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-…