Related papers: Multiscale coupling of surface temperature with so…
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
The thermodynamics of the lattice model of intercalation of ions in crystals is considered in the mean field approximation. Pseudospin formalism is used for the description of interaction of electrons with ions and the possibility of…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
This paper presents an innovative method using Latent Diffusion Models (LDMs) to generate temperature fields from phase indicator maps. By leveraging the BubbleML dataset from numerical simulations, the LDM translates phase field data into…
We have investigated a single charged microgel in aqueous solution with a combined simulational model and Poisson-Boltzmann theory. In the simulations we use a coarse-grained charged bead-spring model in a dielectric continuum, with…
We apply estimation theory to a system formed by two interacting trapped ions. By using the Fisher matrix formalism, we introduce a simple scheme for estimation of the temperature of the longitudinal vibrational modes of the ions. We use…
We study the ionic distribution near a charged surface. A new method for performing Monte Carlo simulations in this geometry is discussed. A theory is then presented that allows us to accurately reproduce the density profiles obtained in…
The coupled transport of charge and heat provide fundamental insights into the microscopic thermodynamics and kinetics of materials. We describe a sensitive ac differential resistance bridge that enables measurements of the temperature…
Research on human skin anatomy reveals its complex multi-scale, multi-phase nature, with up to 70% of its composition being bounded and free water. Fluid movement plays a key role in the skin's mechanical and biological responses,…
Heating of trapped ion clouds by interactions with free electrons crossing the trapping potential was observed. A model describing such process was proposed and discussed. The presented approach predicts two effects: pushing and heating of…
This manuscript presents an algorithm for individual Lithium-ion (Li-ion) battery cell state of charge (SOC) estimation in a large-scale battery pack under minimal sensing, where only pack-level voltage and current are measured. For battery…
We investigate the effective coupling between heat and fluid dynamics within a thin fluid layer in contact with a solid structure via a rough surface. Moreover, the opposing vertical surfaces of the thin layer are in relative motion. This…
New results from MAST are presented that focus on validating models in order to extrapolate to future devices. Measurements during start-up experiments have shown how the bulk ion temperature rise scales with the square of the reconnecting…
Essential to various practical applications of lithium-ion batteries is the availability of accurate equivalent circuit models. This paper presents a new coupled electro-thermal model for batteries and studies how to extract it from data.…
This manuscript presents an algorithm for individual Lithium-ion (Li-ion) battery cell state of charge (SOC) estimation when multiple cells are connected in parallel, using only terminal voltage and total current measurements. For battery…
The cell-model and its treatment on the Poisson-Boltzmann level are two important concepts in the theoretical description of charged macromolecules. In this brief contribution to the Proceedings of the NATO-ASI on ``Electrostatic Effects in…
We present a model for the ion distribution near a charged surface, based on the response of the ions to the presence of a single test particle. Near an infinite planar surface this model produces the exact density profile in the limits of…
Advanced hydrogen lithography techniques and low-temperature epitaxial overgrowth enable patterning of highly phosphorus-doped silicon (Si:P) monolayers (ML) with atomic precision. This approach to device fabrication has made Si:P monolayer…
We investigate the radiative heat transfer and spatial distributions of stationary temperatures in periodic many-body systems composed of alternating slabs of two different materials. We show that temperature distributions exhibit an…
The dynamic heat transfer between two half-spaces separated by a vacuum gap due to coupling of their surface modes is modelled using the theory that describes the dynamic energy transfer between two coupled harmonic oscillators each…