Results 41 to 50 of about 32,414 (264)

Refinement of amino‐acid conformation vs. difference density maps in time‐resolved serial femtosecond crystallography data analysis

FEBS Open Bio, EarlyView.
The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong, Yuhei Hosokawa, Lars Oliver Essen, Manuel Maestre‐Reyna   +3 more
wiley   +1 more source

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source

Modeling of Polarization-Specific Phonon Transmission Through Interfaces

, 2011
In this work, the atomistic Green\u27s function method is extended to compute transmission functions for each phonon polarization. The eigenvectors and eigenvalues of the overall density of states matrices are manipulated to yield a density of states ...
Murthy, Jayathi, Fisher, Timothy, Jayathi Y. Murthy, Huang, Zhen, Timothy S. Fisher, Zhen Huang   +5 more
core   +1 more source

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur, Faruk Kaya, Bora Derin, Mustafa Lütfi Öveçoğlu, Ju Li, Duygu Ağaoğulları   +5 more
wiley   +1 more source

Simulation-Enhanced Atom Probe for Complete 3D Atomistic Imaging

, 2022
Simulation-Enhanced Atom Probe for Complete 3D Atomistic ...
A J Breen (13632541), B Gault (13610296), L T Stephenson (13632544), S P Ringer (13449027), R Powles (13632547), Ross Marceau (13091346), M P Moody (13632535), A V Ceguerra (13632538), X Y Cui (13449021)   +8 more
core  

Miller experiments in atomistic computer simulations [PDF]

Proceedings of the National Academy of Sciences, 2014
Significance In 1953, Stanley Miller reported on the spontaneous formation of glycine when applying an electric discharge on a mixture of simple molecules, giving birth to modern research on the origins of life. The effect of electric fields on mixtures of simple molecules is presently studied in computer simulations at the quantum level, and
Saitta Antonino Marco, Saija Franz
openaire   +5 more sources

Revisiting Stability Criteria in Ball‐Milled High‐Entropy Alloys: Do Hume–Rothery and Thermodynamic Rules Equally Apply?

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez, Alejandro F. Manchón‐Gordón, Antonio Vidal‐Crespo, Rafael Caballero‐Flores, Jhon J. Ipus, Clara F. Conde   +5 more
wiley   +1 more source

Experimental Evaluation of 100Cr6 Steel Microindented Surfaces Under Lubricated Nonconformal Point Contacts

Advanced Engineering Materials, EarlyView.
The tribological behavior of 100Cr6 steel spheres textured via Vickers microindentation is evaluated under lubricated sliding by varying both dimple size and density. Fine and dense textures significantly reduce friction across all lubrication regimes, while large dimples increase it.
Farideh Davoodi, Pasquale Guglielmi, Gianfranco Palumbo, Giuseppe Carbone   +3 more
wiley   +1 more source

Template-based geometric simulation of flexible frameworks [PDF]

, 2012
Specialised modelling and simulation methods implementing simplified physical models are valuable generators of insight. Template-based geometric simulation is a specialised method for modelling flexible framework structures made up of rigid units.
Stephen A. Wells, Asel Sartbaeva, Sartbaeva, A, Wells, SA, Sartbaeva, Asel, Wells, Stephen A.   +5 more
core   +1 more source

Planar Solid‐State Nanopores Toward Scalable Nanofluidic Integration Based on CMOS Technology

Advanced Engineering Materials, EarlyView.
We present a scalable silicon‐based fabrication strategy for planar solid‐state nanopores to enable their integration with complex nanofluidic systems. Prototype devices demonstrate normal voltage‐current characteristics, good noise performance, and appreciable streaming currents. Our CMOS‐compatible fabrication process offers precise geometric control
Ngan Hoang Pham, Chenyu Wen, Mohammad Hadi Khaksaran, Won‐Yong Lee, Javier Cruz, Klas Hjort, Dongping Wu, Shi‐Li Zhang   +7 more
wiley   +1 more source