Results 161 to 170 of about 1,314,905 (219)

Low‐Angle Grain Boundaries and Re‐Segregation in Single‐Crystalline Ni‐Base Superalloys

Advanced Engineering Materials, EarlyView.
This work demonstrates that Re‐segregation at low‐angle grain boundaries (LAGBs) in Ni‐base superalloys is influenced by misorientation angle. Advanced microscopy and atom probe tomography reveal that higher misorientation angles increases Re‐segregation.
Alireza B. Parsa, Aparna Saksena, Alesander Kostka, Pascal Thome, Felicitas Scholz, Alexandre Mussi, Christoph Somsen, Baptiste Gault, Jan Frenzel, Gunther Eggeler   +9 more
wiley   +1 more source

Evaluation of Interfacial Adhesion Properties Between Nano-Modified Composite Polyurethane and Cement-Stabilized Macadam Based on Surface Free Energy. [PDF]

Materials (Basel)
Fu H, Chu Z, Wang S, Gao H, Zheng N, Liu Z.   +5 more
europepmc   +1 more source

Field Report from Collaborative Research Center 1625: Heterogeneous Research Data Management Using Ontology Representations

Advanced Engineering Materials, EarlyView.
A unified research data management framework for heterogeneous materials data is presented. The system integrates multimodal datasets using ontologies and knowledge graphs, enabling interoperability and FAIR (findable, accessible, interoperable, reusable) data principles. By linking data across scales and workflows, it supports reproducible, Artifitial
Doaa Mohamed, Samuel García Vázquez, Behnam Mardani, Victor Dudarev, Alfred Ludwig, Maribel Acosta, Markus Stricker   +6 more
wiley   +1 more source

Hydration free energy is an incomplete predictor of globular protein incorporation into condensates. [PDF]

Biophys J
Anderson S, Harrison M, Dignon GL.
europepmc   +1 more source

Creating Ti–Fe α/β Alloys by Diffusion‐Driven Solid‐State Processing

Advanced Engineering Materials, EarlyView.
This study proposes making alloys containing fast diffusing elements that are difficult to produce by ingot metallurgy, by diffusion‐driven solid‐state HIP processing of elemental powders and low‐temperature homogenisation. Here, novel Fe‐Ti α–β alloys are formed having fine α–β lamellae, a small β prior grain size without significant intermetallics ...
Jiaqi Xu, Xun Zhang, Jack M. Donoghue, Albert D. Smith, Rahul Unnikrishnan, Rhys Thomas, Vahid Nekouie, Jie Luo, Dongchen Hu, Michael Preuss, Philip J. Withers   +10 more
wiley   +1 more source

SAMTI: Sampling Adaptive Thermodynamic Integration for Alchemical Free Energy Calculations. [PDF]

J Phys Chem B
Lee TS, Jahanmahin O, Pal S, York DM.
europepmc   +1 more source

A Simplified Laminar Flow Model for the Pultrusion of Glass Fiber/Polyethylene Terephthalate Commingled Yarns

Advanced Engineering Materials, EarlyView.
A simplified thermoplastic pultrusion model is developed to predict thermal fields in glass fiber/polyethylene terephthalate (GF/PET) composites with reduced computational cost. By combining effective material homogenization, validation against literature data, and Gaussian‐process‐based optimization, the study reveals how heating limits, pulling speed,
Elder Soares, Nadège Bouchonneau, Christian Jochum, Donald Radford   +3 more
wiley   +1 more source

Evaluation of the ABCG2 Charge Model in Protein-Ligand Binding Free-Energy Calculations. [PDF]

J Chem Inf Model
Behera S, Gapsys V, de Groot BL.
europepmc   +1 more source

Rafting of Ni‐Based Superalloys Under Multiaxial Load as Understood by Phase‐Field Simulations and Critical Experiments

Advanced Engineering Materials, EarlyView.
Phase‐field simulations coupled with dislocation‐density‐based crystal plasticity modeling reproduce γ′ rafting behavior in single‐crystal Ni‐based superalloys under varied loading conditions. The model captures both macroscopic creep and microscopic morphology evolution, with results matching high‐temperature creep experiments.
Micheal Younan, David Bürger, Gunther Eggeler, Oleg Shchyglo, Ingo Steinbach, Muhammad Adil Ali   +5 more
wiley   +1 more source

A Quadrupolar Fullerene Model System for Benchmarking Enhanced Sampling of Trapped Waters in Free Energy Calculations. [PDF]

J Phys Chem B
Wagle S, Mobley DL.
europepmc   +1 more source