Results 221 to 230 of about 291,728 (311)

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Three-Dimensional Structural Stability and Local Electrostatic Potential at Point Mutations in Spike Protein of SARS-CoV-2 Coronavirus. [PDF]

Int J Mol Sci
Hristova SH, Zhivkov AM.
europepmc   +1 more source

Designing Polymer Nanocomposites for X‐Ray Shielding: Mechanisms, Architectures, and Scalable Processing

Advanced Engineering Materials, EarlyView.
This review highlights advances in lightweight, lead‐free polymer nanocomposites for diagnostic X‐ray shielding. By linking filler chemistry, dispersion, architecture, and photon interaction mechanisms, it establishes structure–performance relationships guiding material design.
Aklilu G. Messele, Hossein Ipakchi, Tizazu H. Mekonnen   +2 more
wiley   +1 more source

Influence of Geometric Design on Mechanical Performance of Auxetic Metastructure

Advanced Engineering Materials, EarlyView.
Strategic geometric reinforcement transforms auxetic performance. This study evaluates 3D‐printed arrowhead metastructures, revealing that a modified design with local ring reinforcement suppresses premature failure to achieve superior energy absorption and structural efficiency.
Muhammad Gulzari, Supharoek Sornsomrit, Muhammad Ayaz Akbar, Stephan Rudykh   +3 more
wiley   +1 more source

Electrostatic Potential of Functional Cations as a Predictor of Hydroxide Diffusion Pathways in Nanoconfined Environments of Anion Exchange Membranes. [PDF]

J Phys Chem Lett
Zelovich T, Dekel DR, Tuckerman ME.
europepmc   +1 more source

Modeling Dislocation Cutting of γ′ Precipitates in Ni‐Base Superalloys: Linking Atomistic and Dislocation Dynamics Simulations

Advanced Engineering Materials, EarlyView.
Dislocation cutting of γ′ precipitates in Ni‐based superalloys is investigated by linking atomistic simulations with discrete dislocation dynamics. The critical cutting stress is shown to be governed by the antiphase boundary energy, while line tension effects promote edge‐preferred cutting.
Frédéric Houllé, Siwen Gao, Marc Fivel, Anxin Ma, Daria Smirnova, Sriram Anand, Arun Prakash, Julien Guénolé, Alexander Hartmaier, Erik Bitzek   +9 more
wiley   +1 more source

Reconfigurable Logic‐in‐Memory Operations Enabled by Triple‐Gated Feedback Field‐Effect Transistors for Area‐Efficient Computing

Advanced Engineering Materials, EarlyView.
A reconfigurable logic‐in‐memory cell composed of triple‐gated feedback field‐effect transistors implements multiple combinational logic functions within a single configuration. By utilizing program gates as dynamic input terminals, the proposed cell performs full adder, full subtractor, 2‐to‐1 multiplexer, and 4‐to‐2 encoder operations without ...
Minhyeok Seol, Yunwoo Shin, Donghyung Lee, Dongki Kim, Kyoungah Cho, Sangsig Kim   +5 more
wiley   +1 more source

How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations? [PDF]

RSC Adv
Escobosa AC, Manz TA.
europepmc   +1 more source

Experimental and Numerical Modal Analysis of Composite Sandwich Structures Using Surfboards as Model Systems

Advanced Engineering Materials, EarlyView.
This article presents an experimental and numerical modal investigation of composite sandwich structures using surfboards as model systems. By comparing different core materials and reinforcement strategies, the study demonstrates how local stiffeners influence vibrational response and introduce characteristic modal features, highlighting modal ...
Brett Connellan, Luca Lomazzi, Mathis Mercier, Kara Stark, Marc in het Panhuis   +4 more
wiley   +1 more source

Tuning of Molecular Electrostatic Potential Enables Efficient Charge Transport in Crystalline Azaacenes: A Computational Study. [PDF]

Int J Mol Sci, 2020
Sosorev A, Dominskiy D, Chernyshov I, Efremov R.   +3 more
europepmc   +1 more source