Results 161 to 170 of about 164,066 (268)

Stability and hydrogen storage potential of zirconium-based A₂ZrH₆ (A = Na, K) hydrides: a DFT and AIMD investigation. [PDF]

RSC Adv
Kaleem M, Nasir A, Sarfraz Z, Kanwal S, Khan AN, El-Rehim AFA, Zahran HY.   +6 more
europepmc   +1 more source

Rafting of Ni‐Based Superalloys Under Multiaxial Load as Understood by Phase‐Field Simulations and Critical Experiments

Advanced Engineering Materials, EarlyView.
Phase‐field simulations coupled with dislocation‐density‐based crystal plasticity modeling reproduce γ′ rafting behavior in single‐crystal Ni‐based superalloys under varied loading conditions. The model captures both macroscopic creep and microscopic morphology evolution, with results matching high‐temperature creep experiments.
Micheal Younan, David Bürger, Gunther Eggeler, Oleg Shchyglo, Ingo Steinbach, Muhammad Adil Ali   +5 more
wiley   +1 more source

High- and low-fidelity modal and mechanical analysis of architected strut-based lattice structures with auxetic topologies. [PDF]

Sci Rep
Shingare KB, Bochare S, Schiffer A, Kinloch I, Liao K.   +4 more
europepmc   +1 more source

Microstructure Evolution of a VMnFeCoNi High‐Entropy Alloy After Synthesis, Swaging, and Annealing

Advanced Engineering Materials, EarlyView.
The synthesis and processing (rotary swaging and annealing) of the novel VMnFeCoNi alloy is investigated, alongside the estimation of the grain size effect on hardness. Analysis of a wide grain size range of recrystallized microstructures (12–210 µm) reveals a low annealing twin density.
Aditya Srinivasan Tirunilai, Zeki Ayrildi, Buse Şen, Maik Rajkowski, Mathias Redondo Garcia, Markus Stricker, Guillaume Laplanche   +6 more
wiley   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Computational analysis of X₂CaZnH₆ (X = K, Rb and Cs) hydrides for hydrogen storage. [PDF]

Sci Rep
Al-Zoubi N, Almahmoud A, Almahmoud A, Jaradat A, Obeidat A.   +4 more
europepmc   +1 more source

In Situ Constructed Magnetic Core‐Shell Hydrogen‐Bonded Organic Framework‐on‐Metal–Organic Framework Structure: an Efficient Catalyst for Peroxymonosulfate Activation

Advanced Functional Materials, EarlyView.
In this work, a magnetic core‐shell catalyst (HOF‐on‐Fe3O4/ZIF‐67) is successfully synthesized, consisting of a metal–organic framework (ZIF‐67) with magnetic Fe3O4 as the core and a porous hydrogen‐bonded organic framework (HOF) as the shell. The catalyst efficiently activated peroxymonosulfate, resulting in rapid and effective removal of water ...
Yingying Du, Chenhui Ding, Chao Deng, Susanta Banerjee, Seema Agarwal   +4 more
wiley   +1 more source

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel   +2 more
wiley   +1 more source

Computational screening of piezoelectric constants in metal-organic frameworks: design principles and ferroelectric-like bond modulation.

J Mater Chem A Mater
Mula S, Huang C, Grozema F, van der Veen MA.   +3 more
europepmc   +1 more source

The Analytical Solutions to a Cation-Water Coupled Multiphysics Model of IPMC Sensors. [PDF]

Sensors (Basel)
Ishikawa K, Asaka K, Zhu Z, Hiruta T, Takagi K.   +4 more
europepmc   +1 more source