Results 151 to 160 of about 6,812 (198)

Speeding Up Hartree-Fock in JuliaChem with Density Fitting. [PDF]

J Chem Theory Comput
Hayes JJ, Gordon MS.
europepmc   +1 more source

Current Status and Challenges in Data Collection for Aerospace Coatings Deposited by Plasma Spraying

Advanced Engineering Materials, EarlyView.
An innovative approach has been integrated into the GRENAT project to optimize plasma spraying and coating performance. Raw materials are accelerated and melted in the plasma generated by torches, creating coatings. Monitoring sensors collect process data which are combined with ex situ characterization data.
Lila Randriamananjara, Vincent Rat, Quentin Dubreuil, Patrice Valorge, Simon Goutier, Alain Denoirjean, Olivier Messe, Céline Ruelle, Jean‐Philippe Poli   +8 more
wiley   +1 more source

Local Pair Natural Orbital-Based Coupled-Cluster Theory through Full Quadruples (DLPNO-CCSDTQ). [PDF]

J Chem Theory Comput
Jiang A, Matthews DA, Poole D, Briggs CG, Turney JM, Sherrill CD, Schaefer Iii HF.   +6 more
europepmc   +1 more source

Optimization of the Production of Rubber Compounds Using Mathematical Models

Advanced Engineering Materials, EarlyView.
Rubber compounds were mixed in a batch internal mixer, and symbolic regression was used to derive mathematical models linking recipe and process parameters to ram path, torque, and mixing quality (incorporation, dispersion, distribution). Subsequent optimization with evolutionary algorithms identified operating conditions that reduce specific energy ...
Anke Bardehle, Andreas Limper, Ulrich Giese, Carlos Lucke, Mario Beiner, Christoph Gögelein, Lisa Leuchtenberger‐Engel, Christian Hopmann   +7 more
wiley   +1 more source

Strong exciton coupling: a practical toolbox for computing interaction energies, wavefunctions, and optical spectra.

Chem Soc Rev
Ringström R, Hashemi SR, Liang Y, Hestand NJ, Börjesson K.   +4 more
europepmc   +1 more source

Universality for Taylor coefficients of rational functions under perturbations. [PDF]

Proc Natl Acad Sci U S A
Baryshnikov Y, Pemantle R.
europepmc   +1 more source

Modular Critical Element Recycling Platform Using a Nanoporous Additively Manufactured Gyroid

Advanced Engineering Materials, EarlyView.
A modular recycling platform integrates 3D‐printed nanoporous gyroid structures to enable efficient critical element recovery. This system utilizes a hierarchical architecture, combining macroscopic channels with polymerization‐induced nanoscale porosity. By systematically tuning structural wall thickness and resin formulation, the platform achieves an
Xiangyu Gao, Keldy Mason, Mert Gülçür, Rachel Paddock‐Lamb, Prince Alvin Fofanah, Zachariah A. Page, Michael Cullinan   +6 more
wiley   +1 more source

Fractional modeling of nonlinear dispersive systems: on the comparative study of Whitham-Broer-Kaup equations using various derivatives. [PDF]

Sci Rep
Ahmed SA, Shah R, Mohamed A, Hassan AA, Dargail HE, Barakat HM, Yahya A.   +6 more
europepmc   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

The Stieltjes Moment Problem in Gelfand-Shilov Spaces Defined by Weight Sequences in the Absence of Derivation Closedness. [PDF]

Results Math
Jiménez-Garrido J, Miguel-Cantero I, Sanz J, Schindl G.   +3 more
europepmc   +1 more source