Results 181 to 190 of about 9,026,292 (300)

"Martinizing" the Variational Implicit Solvent Method (VISM): Solvation Free Energy for Coarse-Grained Proteins. [PDF]

J Phys Chem B, 2017
Ricci CG, Li B, Cheng LT, Dzubiella J, McCammon JA.   +4 more
europepmc   +1 more source

Non‐Additive Criteria Assessment in Sustainability Evaluation of High Entropy Alloys: A Toxicity‐Weighted Framework

Advanced Engineering Materials, EarlyView.
Sustainability assessment requires methodologies that appropriately distinguish between additive and non‐additive material properties. A toxicity‐weighted scoring system is developed and applied that accounts for the disproportionate influence of highly toxic constituents through nonlinear weighting functions, providing more realistic estimates than ...
Seth Mehalic, Oladele A. Ogunseitan, Julie M. Schoenung   +2 more
wiley   +1 more source

On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model. [PDF]

J Comput Chem
Panday SK, Chakravorty A, Zhao S, Alexov E.   +3 more
europepmc   +1 more source

Entropy‐Driven Design of Low‐Melting‐Point Alloys via Compositionally Complex Strategy

Advanced Engineering Materials, EarlyView.
Conventional low‐melting‐point alloys (LMPAs) are limited by a narrow compositional space and inherent property trade‐offs. This review presents an entropy‐driven design strategy that overcomes these limitations, ushering in a new class of low‐melting‐point compositionally complex alloys (LMCCAs).
Yinghui Shang, Jianxiang Zhao, Zhaoqi Chen, Hao Gong, Yinsen Yan, Junlei Tao, Yong Yang   +6 more
wiley   +1 more source

Real-time measure of solvation free energy changes upon liquid-liquid phase separation of α-elastin. [PDF]

Biophys J
König B, Pezzotti S, Ramos S, Schwaab G, Havenith M.   +4 more
europepmc   +1 more source

Investigating the Low‐Temperature Phase Stability of the Binary Ta–W System

Advanced Engineering Materials, EarlyView.
Atomistic simulations show that the binary Ta–W system forms ordered intermetallic phases, B2‐TaW and D03‐TaW3, as 0 K ground states. Configurational entropy, however, lowers the free energy of the disordered bcc solid solution, which becomes the stable phase above about 400 K.
Klemens Lechner, Anna Sophie Jelinek, Velislava Terziyska, Peter Wagatha, Wolfram Knabl, Christian Mitterer, Helmut Clemens, David Holec   +7 more
wiley   +1 more source

High‐Entropy Alloy Interlayers Toward Advanced Joining for High‐Performance Structural Applications: Current Progress and Emerging Challenges

Advanced Engineering Materials, EarlyView.
HEA interlayers offer a versatile route for joining high‐performance structural materials. Their compositional and structural design regulates interfacial reactions, suppresses brittle IMCs, and improves metallurgical bonding. Sandwich interlayers further integrate defect healing with precipitation strengthening, enabling improved strength–ductility ...
Lin Yuan, Jiafen Song, Jinglong Li, Jiangtao Xiong, Tao Yang   +4 more
wiley   +1 more source

A Novel Approach to Estimate the Transition Temperature via Dynamic Nanoindentation

Advanced Engineering Materials, EarlyView.
A new dynamic nanoindentation‐based method was developed that uses the stiffness ratio as an indicator of the elastic–plastic deformation contributions at different temperatures. The approach successfully identified transition temperatures in ferritic steel and distinguished them from continuously ductile austenitic steel.
Stefan Zeiler, Nikolaus Kostwein, Ronald Schnitzer, Christian Mitterer, Verena Maier‐Kiener   +4 more
wiley   +1 more source

Cryogenic Deformation Behavior of TiAl and Insights Into Embrittlement After High‐Temperature Exposure Combined With Secondary Ion Mass Spectroscopy of Near Surface Chemistry

Advanced Engineering Materials, EarlyView.
Near‐surface deuterium enrichment profiles for different microstructural types of TiAl after exposure at 700 °C in a heavy water‐containing environment. The deuterium levels are significantly higher than expected from natural occurrence, indicating that the heavy water dissociated during the exposure treatment and entered the specimens.
Jonathan D. H. Paul, Alexander Welle, Dirk Matthiessen, Michael Oehring, Fritz Appel, Florian Pyczak   +5 more
wiley   +1 more source

3D‐Printed Titanium Gyroid Scaffold Structure Integrated With Tough Hybrid Materials for Cartilage Replacement

Advanced Engineering Materials, EarlyView.
This study proposes a potential device design for joint cartilage replacement. Silica‐polytetrahydrofuran (SiO2‐PolyTHF) hybrids with customizable mechanical properties were developed to mimic the characteristics of a natural meniscus. These were synthesized through a two‐pot sol–gel hybrid process.
Yu‐Chien Lin, Gloria R. Young, Francesca Tallia, Reece N. Oosterbeek, Shaaz Ghouse, Edward Spiers, Nupur Kohli, Tom Briggs, Marc Masen, Siwei Li, Ren‐Jei Chung, Jonathan R. T. Jeffers, Julian R. Jones   +12 more
wiley   +1 more source