Results 61 to 70 of about 2,609,572 (132)

Dissipative Particle Dynamics Modeling in Polymer Science and Engineering

WIREs Computational Molecular Science, Volume 15, Issue 2, March/April 2025.
Unveiling the dynamics of polymers: A mesoscale simulation of polymer chains (left) modeled through dissipative particle dynamics (DPD) with a detailed magnified view (right) illustrating the interactions and forces driving their hierarchical behavior. ABSTRACT Polymeric materials are intricate systems with unique properties across different length and
Sousa Javan Nikkhah, Matthias Vandichel
wiley   +1 more source

Ab initio Modelling of the Early Stages of Precipitation in Al-6000 Alloys

, 2017
Age hardening induced by the formation of (semi)-coherent precipitate phases is crucial for the processing and final properties of the widely used Al-6000 alloys.
Ceriotti, Michele, Curtin, W. A., Giofré, Daniele, Junge, Till   +3 more
core   +1 more source

Micropyramidal Si Photonics–A Versatile Platform for Detector and Emitter Applications

Laser &Photonics Reviews, Volume 19, Issue 3, February 5, 2025.
It is shown that a low‐cost, high‐yield, and robust anisotropic wet etching of silicon has a special combination of properties turning it into an ideal technology for obtaining extremely uniform large‐scale micropyramidal arrays with controllable geometry and advanced functionality for developing mid‐wave infrared photodetector and emitter applications.
Grant W. Bidney, Joshua M. Duran, Gamini Ariyawansa, Igor Anisimov, Joshua R. Hendrickson, Vasily N. Astratov   +5 more
wiley   +1 more source

Nanoscale layering of antiferromagnetic and superconducting phases in Rb2Fe4Se5

, 2012
We studied phase separation in a single-crystalline antiferromagnetic superconductor Rb2Fe4Se5 (RFS) using a combination of scattering-type scanning near-field optical microscopy (s-SNOM) and low-energy muon spin rotation (LE-\mu SR). We demonstrate that
A. Charnukha, A. Cvitkovic, A. Loidl, A. Suter, A. V. Boris, B. Keimer, D. Pröpper, E. Morenzoni, F. Keilmann, J. Deisenhofer, N. Ocelic, T. Prokscha, V. Tsurkan, Z. Salman   +13 more
core   +1 more source

Nanoscale control of phonon excitations in graphene

Nature Communications, 2015
Phonons, which are collective excitations in a lattice of atoms or molecules, play a major role in determining various physical properties of condensed matter, such as thermal and electrical conductivities.
Hyo Won Kim, Wonhee Ko, Jiyeon Ku, I. Jeon, Donggyu Kim, H. Kwon, Y. Oh, Seunghwa Ryu, Y. Kuk, Sungwoo Hwang, Hwansoo Suh   +10 more
semanticscholar   +1 more source

Molecular dynamics simulation of argon isochoric transition to supercritical state

Engineering Reports, Volume 6, Issue 11, November 2024.
The effect of the initial atoms distribution on the molecular dynamics simulation of a model atomic fluid (argon) is investigated for the case of the isochoric phase transition to the supercritical state. Results show the initial choice of the atoms distribution can significantly affect the computational time.
Yunmin Ran, Volfango Bertola
wiley   +1 more source

Mesoscopic simulations at the physics-chemistry-biology interface

, 2019
We discuss the Lattice Boltzmann-Particle Dynamics (LBPD) multiscale paradigm for the simulation of complex states of flowing matter at the interface between Physics, Chemistry and Biology.
Bernaschi, Massimo, Melchionna, Simone, Succi, Sauro   +2 more
core   +1 more source

Room‐temperature bulk plasticity and tunable dislocation densities in KTaO3

Journal of the American Ceramic Society, Volume 107, Issue 11, Page 7054-7061, November 2024.
Abstract We report room‐temperature bulk plasticity mediated by dislocations in single‐crystal cubic potassium tantalate oxide (KTaO3), contrasting the conventional knowledge that single‐crystal KTaO3 is susceptible to brittle fracture. A mechanics‐based combinatorial experimental approach using cyclic Brinell indentation, scratching, and uniaxial bulk
Xufei Fang, Jiawen Zhang, Alexander Frisch, Oliver Preuß, Chukwudalu Okafor, Martin Setvin, Wenjun Lu   +6 more
wiley   +1 more source

Pickering Emulsions in Catalytic Processes

ChemCatChem, Volume 16, Issue 20, October 21, 2024.
The utilization of Pickering emulsions in catalytic processes offers significant advantages for enhancing conversion, selectivity, and yield in chemical reactions. Yet, unlocking their full potential hinges on the development of innovative techniques for precise interfacial manipulation, which has become a crucial aspect in maximizing the effectiveness
Eduardo Guzmán
wiley   +1 more source

Coarse-grained model of the J-integral of carbon nanotube reinforced polymer composites

, 2016
The J-integral is recognized as a fundamental parameter in fracture mechanics that characterizes the inherent resistance of materials to crack growth.
Arash, Behrouz, Park, Harold S., Rabczuk, Timon   +2 more
core   +1 more source