Vimarsana
Biggest News Aggregation in the World

Molecular Dynamics Simulation News Today : Breaking News, Live Updates & Top Stories | Vimarsana

Stay updated with breaking news from Molecular Dynamics Simulation. Get real-time updates on events, politics, business, and more. Visit us for reliable news and exclusive interviews.

Top News In Molecular Dynamics Simulation Today - Breaking & Trending Today

"The growth behavior and kinetics of intermetallic compounds in Cu–Al i" by Dandan Zhao, Weijia Guo et al. - Vimarsana News

"The growth behavior and kinetics of intermetallic compounds in Cu–Al i" by Dandan Zhao, Weijia Guo et al.

Due to the low production cost and light weight, copper-clad aluminum conductors show great potential value in the field of power transmission, while the phase structure and organizational changes at the Cu–Al interface in high-temperature environments have a great impact on the electrical and mechanical properties. In this paper, Cu–Al diffusion couples are prepared to study the diffusion process, microstructure, and growth kinetics of intermetallic compounds (IMCs) in Cu–Al interface during heating from 600 °C to 800 °C, and the mechanical and electrical properties of Cu–Al diffusi...

Source: uow.edu.au
"Investigating the effect of size and number of layers of iron nanochan" by Yun Xiang Zhang, As'ad Alizadeh et al. - Vimarsana News

"Investigating the effect of size and number of layers of iron nanochan" by Yun Xiang Zhang, As'ad Alizadeh et al.

Phase change material (PCM) is a material that has a specific melting point, and its latent heat of melting is large enough that it can be used to store thermal energy. This study investigated the effect of size (4–8 Å), and the number of layers (3–10 layers) of iron nanoparticles (NPs) channel on thermal behavior (TB) and phase change (PC) process of sodium sulfate/calcium chloride hexahydrate (Na2SO4/MgCl2·6H2O) PCM molecular dynamics (MD) simulation. By increasing the number of layers from 3 to 5, the maximum temperature and heat flux (HF) increased from 406 and 1471 W/m2 to 451.51 K ...

Source: uow.edu.au
"Hydrogen bonding penalty used for virtual screening to discover potent" by Guangjian Zhao, Xiaochun Liu et al. - Vimarsana News

"Hydrogen bonding penalty used for virtual screening to discover potent" by Guangjian Zhao, Xiaochun Liu et al.

The Papain-Like proteases (PLpro) of SARS-CoV-2 play a crucial role in viral replication and the formation of nonstructural proteins. To find available inhibitors, the 3D structure of PLpro of SARS2 was obtained by homologous modelling, and we used this structure as a target to search for inhibitors through molecular docking and MM/GBSA binding free energy rescoring. A novel hydrogen bonding penalty was applied to the screening process, which meanwhile took desolvation into account. Finally, 61 compounds were acquired and 4 of them with IC50 at micromolar level tested in vitro enzyme activity ...

Source: uow.edu.au
N-alkanes Proved as a Novel Cooling Material, Green and Safe - Vimarsana News

N-alkanes Proved as a Novel Cooling Material, Green and Safe

New study describes barocaloric cooling performance in n-alkanes, providing new direction for green technology

How molecular clusters in the nucleus interact with chromosomes - Vimarsana News

How molecular clusters in the nucleus interact with chromosomes

Using computer simulations, MIT chemists have discovered how nuclear bodies called nucleoli interact with chromosomes in the nucleus, and how those interactions help the nucleoli exist as stable droplets within the nucleus.

Source: mit.edu