Results 131 to 140 of about 247,522 (263)

Crystal engineering of high explosives through lone pair-π interactions: Insights for improving thermal safety. [PDF]

iScience, 2023
Savastano M, López de la Torre MD, Pagliai M, Poggi G, Ridi F, Bazzicalupi C, Melguizo M, Bianchi A.   +7 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

Enhancing gas sensing recyclability and recovery rate by crystal engineering of CuI motif in MOFs. [PDF]

Nat Commun
Li ZW, Tan B, Hei XZ, Liu XW, Zhao K, Wang CZ, Li KF, Chen YJ, Huang XY, Tan K, Wu ZF, Li J, Xu G.   +12 more
europepmc   +1 more source

Unexpected structural complexity of d-block metallosupramolecular architectures within the benzimidazole-phenoxo ligand scaffold for crystal engineering aspects. [PDF]

Sci Rep, 2023
Marcinkowski D, Kubicki M, Consiglio G, Hnatejko Z, Majcher-Fitas AM, Podgajny R, Patroniak V, Gorczyński A.   +7 more
europepmc   +1 more source

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Crystallographic Study of DNA T-Junction via Crystal Engineering. [PDF]

Angew Chem Int Ed Engl
Li X, Siraj N, Sha R, Mao C.
europepmc   +1 more source

Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. [PDF]

IUCrJ, 2023
Jin S, Haskins MM, Deng CH, Matos CRMO, Zaworotko MJ.   +4 more
europepmc   +1 more source

Experimental Characterization and Constitutive Modeling of the Effect of Prior Inelastic Strain on the Viscoplastic Behavior of AD730 at 700 °C

Advanced Engineering Materials, EarlyView.
This study shows that superalloys used in aircraft engine disks become much more prone to deformation at high temperatures if they have been strained during manufacturing. This effect increases with the level of prior strain but eventually reaches a limit.
Fabio Machado Alves da Fonseca, Patrick Villechaise, Malik Durand, Arnaud Longuet, Florent Coudon, Loïc Signor, Julien De Jaeger, Dominique Eyidi, Nathalie Bozzolo, Jonathan Cormier   +9 more
wiley   +1 more source

Enhancing the Photo and Thermal Stability of Nicotine through Crystal Engineering with Gentisic Acid. [PDF]

Molecules, 2022
Angevine DJ, Camacho KJ, Rzayev J, Benedict JB.   +3 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