Results 101 to 110 of about 192,980 (275)

The Structural Refinement of Commercial‐Purity Copper Processed by Equal Channel Angular Pressing with Low Strain Amplitude

Advanced Engineering Materials, EarlyView.
Equal channel angular pressing of commercial pure copper under low strain amplitude (≈0.48) induces concurrent continuous and localized discontinuous dynamic recrystallization, forming a duplex structure influenced by strain heterogeneity and recovery. Moderate hardening after 4–12 passes results from progressive high‐angle grain boundary formation via
Paula Cibely Alves Flausino, Nayara A. N. da Silva, Bárbara C. de Almeida, Taise M. Manhabosco, Elaine C. S. Corrêa, Maria T. P. Aguilar, Paulo R. Cetlin   +6 more
wiley   +1 more source

Computational Fluid Dynamics Simulation of Chemical Reactors: Application of in Situ Adaptive Tabulation to Methane Thermochlorination Chemistry

, 1999
Jimmy J. Shah, Rodney O. Fox
openalex   +2 more sources

Computational approaches of relativistic models in quantum chemistry [PDF]

, 2003
J. P. Desclaux, Jean Dolbeault, Maria J. Esteban, P. Indelicato, Éric Séré   +4 more
openalex   +1 more source

Design and Synthesis of D₃R Bitopic Ligands with Flexible Secondary Binding Fragments: Radioligand Binding and Computational Chemistry Studies. [PDF]

Molecules, 2023
Tian GL, Hsieh CJ, Taylor M, Lee JY, Luedtke RR, Mach RH.   +5 more
europepmc   +1 more source

Toward Maximum Utilization of Heavy Rare Earths in Sintered Nd–Fe–B Magnets by Grain Boundary Diffusion Source and Application Area Optimization

Advanced Engineering Materials, EarlyView.
In this work, the grain boundary diffusion process is optimized to maximize heavy rare earth utilization by strategic magnetic hardening of areas in the magnet such as corners or edges that are highly susceptible to demagnetization, as demonstrated by finite element magnetostatics simulation on an internal permanent magnet, synchronous traction motor ...
Abdullatif Durgun, Dominik Ohmer, Matthias Katter, Andreas Thul, Simon Steentjes, Hossein Sepehri Amin, Oliver Gutfleisch, Imants Dirba   +7 more
wiley   +1 more source

Selected new developments in computational chemistry.

, 1996
Thomas A. Darden, Libero J. Bartolotti, L G Pedersen   +2 more
openalex   +1 more source

Appendix: Examination of the Employment Environment for Computational Chemistry [PDF]

, 2003
Donald B. Boyd, Kenny B. Lipkowitz
openalex   +1 more source

Best-Practice DFT Protocols for Basic Molecular Computational Chemistry. [PDF]

Angew Chem Int Ed Engl, 2022
Bursch M, Mewes JM, Hansen A, Grimme S.
europepmc   +1 more source

Deformation Behavior of Optical Ceramic Nanomultilayers: The Role of Aperiodicity

Advanced Engineering Materials, EarlyView.
Ceramic nanomultilayers demonstrate optical and mechanical behavior tunability through aperiodicity. Within the studied systems, optically optimized coatings exhibit an average ultraviolet, visible, and near‐infrared spectral transmittance above 90%.
Danielle E. White, Wenjuan Cheng, Koushik Jagadish, Edoardo Rossi, Yu‐Tsun Shao, Andrea M. Hodge   +5 more
wiley   +1 more source

Computational Quantum Chemistry Experiments via the Web [PDF]

, 2003
Brian F. Yates, Brian J. Duke
openalex   +1 more source