Results 171 to 180 of about 5,253,595 (284)

Simultaneous Construction of Free Energy Surfaces via Multisite λ Dynamics and Umbrella Sampling. [PDF]

J Chem Theory Comput
Lai TT, Brooks CL.
europepmc   +1 more source

Effects of Carbon Nanoparticles on Triboelectro‐Induced Surface Defects

Advanced Engineering Materials, EarlyView.
Carbon nanoparticles added to grease modify the electrocontact behavior. The synergy of particle concentration and electric current dominates the surface damage of metals in contact. Electrical surface damage caused by current leakage is a critical challenge in high‐performance applications such as electric vehicle (EV) drivetrains and wind turbine ...
Mohsen Tajedini, Lu Fang, Jacob Bons, Mohammad Humaun Kabir, Evan Johnson, Joe Kosmoski, Hong Liang   +6 more
wiley   +1 more source

A Workflow to Accelerate Microstructure‐Sensitive Fatigue Life Predictions

Advanced Engineering Materials, EarlyView.
This study introduces a workflow to accelerate predictions of microstructure‐sensitive fatigue life. Results from frameworks with varying levels of simplification are benchmarked against published reference results. The analysis reveals a trade‐off between accuracy and model complexity, offering researchers a practical guide for selecting the optimal ...
Luca Loiodice, Krzysztof S. Stopka, Michael D. Sangid   +2 more
wiley   +1 more source

Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network Potentials. [PDF]

J Phys Chem Lett
Picha AK, Tkaczyk S, Langer T, Wieder M, Boresch S.   +4 more
europepmc   +1 more source

Interactions between Molten High‐Silicon Electrical Steels and Carbon‐Bonded MgO Refractories Based on Recyclates

Advanced Engineering Materials, EarlyView.
This study examines how several molten high‐silicon electrical steels interact with both conventional and recycled MgO–C refractories. For this, various immersion experiments are conducted. In addition to infiltration, a number of mechanisms are identified and explained that control the corrosion of the refractory material.
Lukas Neubert, Matheus Roberto Bellé, Anton Yehorov, Anhelina Mospan, Till M. J. Stadtmüller, Seetharaman Sridhar, Christos G. Aneziris, Olena Volkova   +7 more
wiley   +1 more source

Free-energy perturbation in the exchange-correlation space accelerated by machine learning: application to silica polymorphs. [PDF]

NPJ Comput Mater
Forslund A, Jung JH, Ikeda Y, Grabowski B.   +3 more
europepmc   +1 more source

Optimizing Post Friction Stir Welding Heat Treatment in Dissimilar Friction Stir Welded 6061/AlSi10MgMn Joints for Electrical Vehicle Battery Housing

Advanced Engineering Materials, EarlyView.
Microstructural evolution and hardness optimization along the cross‐section of friction stir welded AA6061/AlSi10MgMn joints, for electric vehicle battery housings, were investigated. Postweld aging between 170°C and 220°C enhances hardness uniformity within the nugget zone.
Emanuele Ghio, Emanuela Cerri
wiley   +1 more source

Free Energy Projective Simulation (FEPS): Active inference with interpretability. [PDF]

PLoS One
Pazem J, Krumm M, Vining AQ, Fiderer LJ, Briegel HJ.   +4 more
europepmc   +1 more source

Advancing Research on Biomaterials and Biological Materials with Scanning Electron Microscopy under Environmental and Low Vacuum Conditions

Advanced Engineering Materials, EarlyView.
Herein, environmental scanning electron microscopy (ESEM) is discussed as a powerful extension of conventional SEM for life sciences. By combining high‐resolution imaging with variable pressure and humidity, ESEM allows the analysis of untreated biological materials, supports in situ monitoring of hydration‐driven changes, and advances the functional ...
Jendrian Riedel, Lea Dierker, Antoine Eyram Kwame, Kim Nora Wagner, Jonas J. Unterholzner, Jan‐Henning Dirks, Dorothea Brüggemann   +6 more
wiley   +1 more source

Microhydration of phenylboronic acid and its hydration free energy. [PDF]

J Mol Model
Sale D, Malloum A, Nsangou M, Fifen JJ, Conradie J.   +4 more
europepmc   +1 more source