Results 61 to 70 of about 8,369 (238)
Simulation of RDX Decomposition Interacting with Shock Wave via Molecular Dynamics [PDF]
Journal of Optoelectronical Nanostructures, 2018 Cylotrimethylenetrinitramine (RDX), with the chemical formula C3H6N6O6,is an energetic organic molecule used widely in military and industrial commodities ofexplosives.
Abbas Latifi +3 more
doaj
Magnetic Water Cleaning of Estrogens via Tight yet Dynamic Binding to Nanoparticles
Advanced Science, EarlyView.Micropollution is one of the big challenges humanity faces with estrogen hormones being emerging pollutants of concern. Here, a supramolecular design strategy is presented that generates a simple nano‐adsorbent material to magnetically remove low‐concentrated estrogens from water.
Lukas Müller +25 more
wiley +1 more source
Advanced Science, EarlyView.This study elucidates the microstructural evolution at the material interface of Ni‐plated plain‐weave carbon fiber fabric following vacuum heat treatment at 500°C–900°C under different current densities, as well as the mechanism underlying the synergistic enhancement of electromagnetic shielding and ductility.
Wei Cheng +7 more
wiley +1 more source
Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization
, 2009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We present a patch code for LAMMPS to implement a coarse grained (CG) model of poly(vinyl alcohol) (PVA). LAMMPS is a powerful molecular
Luo, C (via Mendeley Data) +3 more
core +2 more sources
, 2023 In this paper, we implemented an efficient coarse-grained and fine-grained peer-to-peer neighbor communication to reduce communication time and improve parallel efficiency for LAMMPS. Additionally, we use pre-registered address to reduce buffer overhead.
Guojun Yuan +8 more
core +1 more source
Imperfect Oriented Attachment of Gold Nanoparticles
Advanced Science, EarlyView.The cover illustrates the imperfect oriented attachment of gold nanoparticles in liquid, as revealed by in situ liquid‐phase transmission electron microscopy. Triggered by the abrupt collapse of the interfacial hydration layer, two misoriented nanoparticles undergo a kinetically driven “jump‐to‐coalescence”.
Fangjie Meng +7 more
wiley +1 more source
Advanced Science, EarlyView.A thermochemically engineered core–shell Si architecture is developed through the controlled evolution of a SWCNT‐coated Mg2Si precursor. The process simultaneously generates a nanoporous Si shell for strain accommodation and Li+ transport, a chemically anchored SiC interfacial layer for robust mechanical and electrical coupling, and a Mg‐containing Si
Dong Gyun Hong +11 more
wiley +1 more source
Atomistic Kinetics of Dislocation‐Mediated Grain Growth in Monolayer MoS2
Advanced Science, EarlyView.Atomic‐resolution in‐situ heating microscopy directly visualizes dislocation‐mediated grain boundary migration and grain growth in monolayer MoS2. Mobile grain boundaries migrate through collective motion of Mo 5|7 dislocations, whereas S 5|7 defects remain largely immobile.
Chang‐Won Choi +11 more
wiley +1 more source
Advanced Science, EarlyView.A dilute hybrid electrolyte containing only 10 mol% [EMIM][DEP] simultaneously reorganizes the water hydrogen‐bond network and creates an ionic‐liquid‐rich region at the anode. This coupled bulk and interfacial regulation suppresses freezing and hydrogen evolution, broadens the electrochemical stability window, and enables an aqueous LMO/LTP full cell ...
Jiwei He +8 more
wiley +1 more source
Structure of quaternary Ni-Cu-Fe-Co nanoalloys under thermally induced effect: atomistic simulation
Физико-химические аспекты изучения кластеров, наноструктур и наноматериаловA comprehensive study of equiatomic four-component Ni-Cu-Fe-Co nanoparticles of 5 nm in size was conducted. Simulations were performed using molecular dynamics simulations and the tight-binding potential.
A.Yu.. Kolosov +7 more
doaj +1 more source