ChemPhysChem, EarlyView.Selectivity and propensity have been emphasized for NO molecules scattered from a graphite surface, employing molecular dynamics simulation alongside a new potential energy surface, including an appropriate treatment of the long‐range interaction, governing the formation of the precursor state, that then reacts with the surface.
Maria Rutigliano, Fernando Pirani
wiley +1 more source
Dynamical patterns and nonreciprocal effective interactions in an active-passive mixture through exact hydrodynamic analysis. [PDF]
Nat CommunMason J, Jack RL, Bruna M.
europepmc +1 more source
Physics‐Based Inverse Modeling of Battery Degradation with Bayesian Methods
ChemSusChem, EarlyView.Active parameterization of physics‐based models is essential to drive battery science. However, due to the model's complexity, parameterization is an ill‐posed problem with uncertainties in models and data. In this article, Bayesian methods are applied to physical degradation models to show sample‐efficient parameterization with uncertainty ...
Micha C. J. Philipp +3 more
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Investigation of soliton solutions to the (2 + 1)-dimensional stochastic chiral nonlinear Schrödinger equation with bifurcation, sensitivity and chaotic analysis. [PDF]
Sci RepAlqhtani M +5 more
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International Journal of Circuit Theory and Applications, EarlyView.This paper presents the design of a wearable battery‐powered capacitive coupling‐human body communication (CC‐HBC) transmitter–receiver allowing a realistic power path loss estimation. The influence on the power path loss of the inter‐electrode distance, body constitution, posture, electrode‐skin contact pressure, and transmission frequency (21 and 42 ...
N. Dehaese +3 more
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A General Solution to the Continuum Rate Equation for Island-Size Distributions: Epitaxial Growth Kinetics and Scaling Analysis. [PDF]
Nanomaterials (Basel)Dubrovskii VG.
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Short Wavelength Limit of the Dynamic Matsubara Local Field Correction
Contributions to Plasma Physics, EarlyView.ABSTRACT We investigate the short wavelength limit of the dynamic Matsubara local field correction G˜q,zl$$ \tilde{G}\left(\mathbf{q},{z}_l\right) $$ of the uniform electron gas based on direct ab initio path integral Monte Carlo (PIMC) results over an unprecedented range of wavenumbers, q≲20qF$$ q\lesssim 20{q}_{\mathrm{F}} $$, where qF$$ {q}_{\mathrm{
Tobias Dornheim +3 more
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Conformal prediction for uncertainty quantification in dynamic biological systems. [PDF]
PLoS Comput BiolPortela A, Banga JR, Matabuena M.
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Ionization Potential Depression and Fermi Barrier in Warm Dense Matter: A First‐Principles Approach
Contributions to Plasma Physics, EarlyView.ABSTRACT Ionization potential depression (IPD) is of crucial importance to understand and accurately predict the properties of dense, partially ionized plasmas. Many models of IPD have been developed that, however, exhibit largely varying results. Recently, a novel approach was proposed that is based on first‐principles quantum Monte Carlo simulations ...
Michael Bonitz, Linda Kordts
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