Results 171 to 180 of about 7,765,730 (299)

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Exploring internal and external drivers of hydrogen deployment in the energy transition. [PDF]

iScience
Xie Z, Fernandes R, Andresen GB.
europepmc   +1 more source

Microstructure Reconstruction in Battery Electrodes Using Machine Learning Based on Low‐Voltage Focused Ion Beam–Scanning Electron Microscopy Tomography Images

Advanced Engineering Materials, EarlyView.
Low‐voltage FIB‐SEM tomography combined with a image preprocessing pipeline improves phase contrast and enables reliable machine‐learning segmentation of conductive networks in lithium‐ion battery electrodes. Structural descriptors are extracted from segmented images, done semimanually and automated, and compared.
Lisa Beran, Vincent Nebel, Dominik Perius, Kshitij Kumar, Yannis Heim, Laura Bies, Tobias Kraus   +6 more
wiley   +1 more source

Magnetic character of the low-energy enhancement in ⁷⁰Zn. [PDF]

Nature
Ronning EK, Richard AL, Liddick SN, Spyrou A, Ringle R, Arora H, Berg HC, Berkman JM, Bleuel DL, Bosmpotinis K, Campbell SE, Chen X, Crider BP, Coleman RJ, DeYoung PA, Doetsch AA, Erington H, Gaballah T, Gamage ND, Good EC, Greaves B, Hartley AC, Huffman J, Ireland CM, Izzo C, Jain R, Larsen AC, Larsson JEL, Lubna RS, Maier FM, Mogannam MJ, Mücher D, Mumpower MR, Owens-Fryar G, Ogunbeku TH, Scriven DP, Smith MK, Sumithrarachchi CS, Sweet A, Taft K, Tsantiri A, Uthayakumaar S, Wiedeking M.   +42 more
europepmc   +1 more source

Precipitation Simulations of the O‐Phase in Ti2AlNb Alloys Processed by Laser Powder Bed Fusion

Advanced Engineering Materials, EarlyView.
Simulated and experimental evolution of the O‐phase volume fraction during postprocessing of a Ti‐21Al‐25Nb (at.%) alloy processed by laser powder bed fusion. With results of sensitivity to input parameters from a thorough and quantified analysis, the interfacial energy matrix/precipitate is the most relevant input parameter for the simulation of the O‐
Silvana Tumminello, Joachim Gussone, Suzana G. Fries, Marcus Rackel, Andreas Stark, Norbert Schell, Jan Haubrich, Guillermo Requena   +7 more
wiley   +1 more source

Differentiated molecular defense strategies and survival trade-offs in the marine ciliate <i>Euplotes vannus</i> exposed to structurally homologous tetracyclines. [PDF]

Front Microbiol
Yu J.
europepmc   +1 more source

Modeling Dislocation Cutting of γ′ Precipitates in Ni‐Base Superalloys: Linking Atomistic and Dislocation Dynamics Simulations

Advanced Engineering Materials, EarlyView.
Dislocation cutting of γ′ precipitates in Ni‐based superalloys is investigated by linking atomistic simulations with discrete dislocation dynamics. The critical cutting stress is shown to be governed by the antiphase boundary energy, while line tension effects promote edge‐preferred cutting.
Frédéric Houllé, Siwen Gao, Marc Fivel, Anxin Ma, Daria Smirnova, Sriram Anand, Arun Prakash, Julien Guénolé, Alexander Hartmaier, Erik Bitzek   +9 more
wiley   +1 more source

Ocean renewable energy for equitable energy access in a Blue Economy

Scientific Reports
Cisneros-Montemayor, Andrés M., Hirsch, Shana L., Dillon, Trent, González-Espinosa, Pedro C., Moreno-Báez, Marcia, Tighsazzadeh, Mohammad Nasir, Ota, Yoshitaka   +6 more
openaire   +2 more sources

Mechanistic elucidation of the uncatalyzed allylation of carbonyl compounds: a combined DFT and nudged elastic band study. [PDF]

J Mol Model
Da Silva WDAB, Da Silva JAB, Freitas JCR, Dias RP, Da Silva JCS.   +4 more
europepmc   +1 more source

Inverse Identification of Energy‐Dependent Laser Absorptivity in NiTi Laser Powder‐Bed Fusion via Calibrated Melt Pool Simulation

Advanced Engineering Materials, EarlyView.
A combined experimental–computational framework identifies energy‐dependent laser absorptivity for NiTi in laser powder‐bed fusion, applicable to conduction and transition modes. Single‐track experiments and thermofluid smoothed particle hydrodynamics simulations are coupled through inverse analysis of melt pool geometry.
Mohamadreza Afrasiabi, Hadi Moutablaleh, Ignatius A. Setiawan, Mehrshad Mehrpouya   +3 more
wiley   +1 more source