Results 91 to 100 of about 603,627 (298)
Additive Gaussian Process Regression for Predictive Design of High‐Performance, Printable Silicones
Advanced Engineering Materials, EarlyView.A chemistry‐aware design framework for tuning printable polydimethylsiloxane (PDMS) for vat photopolymerization (VPP) is developed using additive Gaussian process (GP) modeling. Polymer network mechanics informs variable groupings, feasible formulation constraints, and interaction variables.
Roxana Carbonell +3 more
wiley +1 more source
Slow Dynamics in Ion-Conducting Sodium Silicate Melts: Simulation and Mode-Coupling Theory
, 2005 A combination of molecular-dynamics (MD) computer simulation and mode-coupling theory (MCT) is used to elucidate the structure-dynamics relation in sodium-silicate melts (NSx) of varying sodium concentration.
Angell C. A. +5 more
core +1 more source
Advanced Engineering Materials, EarlyView.This article presents the design, modeling, and characterization of air‐pressure–actuated programmable vibroacoustic metamaterials (PVAMM). The study focuses on leveraging air pressure to dynamically tune resonance frequencies for effective noise attenuation.
William Kaal +2 more
wiley +1 more source
Energetics of cosolvent effect on peptide aggregation
Biophysics and Physicobiology, 2019 The cosolvent effect on the equilibrium of peptide aggregation is reviewed from the energetic perspective. It is shown that the excess chemical potential is stationary against the variation of the distribution function for the configuration of a flexible
Nobuyuki Matubayasi, Keiichi Masutani
doaj +1 more source
Free energy calculations of elemental sulphur crystals via molecular dynamics simulations
, 2003 Free energy calculations of two crystalline phases of the molecular compound S8 were performed via molecular dynamics simulations of these crystals. The elemental sulphur S8 molecule model used in our MD calculations consists of a semi-flexible closed ...
C. Pastorino, Eckert B., Z. Gamba
core +1 more source
Advanced Engineering Materials, EarlyView.The wettability of aluminum droplets (Al) on different copper substrates (Cu), where liquid Al spreads on solid Cu surfaces to form a liquid–solid interface, is studied numerically and experimentally. The experimental and numerical results show good agreement in the fast‐spreading regime.
Shan Lyu +8 more
wiley +1 more source
Advances in the Application of Molecular Dynamics to Plant Protein, Lipid and Polysaccharide
Shipin gongye ke-jiFood ingredients undergo complex changes during processing, and it is difficult to predict and analyze test results at the molecular level using traditional methods.
Ying SUN +6 more
doaj +1 more source
Deterministic Detection of Single Ion Implantation
Advanced Engineering Materials, EarlyView.Focused ion beam implantation with high detection efficiencies will enable the rapid and scalable fabrication of advanced spin‐based technologies such as qubits. This work presents the detection efficiencies of a wide range of ions implanted into solid‐state hosts, with efficiencies of >90% recorded for ion species and substrate combinations of ...
Mason Adshead +6 more
wiley +1 more source
Abstract: The SARS-CoV-2 pandemic has caused a global health crisis due to its high pathogenicity. The SARS-Unique Domain (SUD) in the non-structural protein Nsp3 of SARS-CoV-2 is hypothesized to play a critical role in viral replication and pathogenesis by interacting with host RNA G-quadruplex (G4) structures, but the molecular mechanisms remain ...
openaire +1 more source
Advanced Engineering Materials, EarlyView.Selenium was incorporated into a sol–gel‐derived bioactive glass to enable sustained therapeutic ion release. The selenium‐containing glass preserved bioactivity while selectively inducing cytotoxicity in osteosarcoma cells and maintaining osteoblastic viability.
Breno Rocha Barrioni +7 more
wiley +1 more source