Results 201 to 210 of about 435,857 (264)

Configuration-Selective Photocurrent Enhancement Induced by Static Domain Walls in Two-Dimensional Ferroelectric In₂Se₃. [PDF]

Nanomaterials (Basel)
Xu N, Xu Y.
europepmc   +1 more source

Energy Transition in Taiwan: A Multi-level Perspective

, 2019
openaire   +1 more source

A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science

Advanced Engineering Materials, EarlyView.
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann, Sarath Menon, Raphael Röske, Johannes Steinhülb, Michael Selzer, Jan Janssen, Tilmann Hickel, Ruth Schwaiger, Jörg Neugebauer   +8 more
wiley   +1 more source

Assessment of DFT functionals for chiroptical properties of Fe(acac) 3 adduct: a study of M(acac) 3 (M = Fe and Co) stereoisomers. [PDF]

J Mol Model
Morgon NH.
europepmc   +1 more source

Creep‐Induced Microstructural Evolution in an A2‐B2 Superalloy

Advanced Engineering Materials, EarlyView.
A 27.3Ta‐27.3Mo‐27.3Ti‐8Cr‐10Al (at.%) refractory high‐entropy alloy with precipitation‐strengthened A2‐B2 microstructure was studied by creep tests at 1030°C, which demonstrate a transition in deformation mechanisms in the range of 100–150 MPa applied stress. This is associated with changes in dislocation–precipitate interactions. Relevant deformation
Liu Yang, Aparajita Pramanik, Sandipan Sen, Shubhashis Dixit, Marcel Muench, R. J. Vikram, Daniel Schliephake, Yolita M. Eggeler, Ankur Chauhan, Martin Heilmaier, Alexander Kauffmann   +10 more
wiley   +1 more source

A city-scale optimization framework for biomass-to-clean-energy transitions: The KAMPALA-TIMES model. [PDF]

iScience
Kimuli I, Kirabira JB, Mujjuni F.
europepmc   +1 more source

PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science

Advanced Engineering Materials, EarlyView.
Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley   +1 more source

Low-Lying Excited States of Linear All-<i>Trans</i> Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction. [PDF]

J Chem Theory Comput
Chagas JCV, F Dos Santos LG, do Monte SA, Aquino AJA, Plasser F, Shepard R, Szalay PG, Lischka H, Machado FBC.   +8 more
europepmc   +1 more source

High‐Temperature Nanoindentation of Metals: Assessing Thermal Drift, Frame Compliance, and Chemical Composition Effects on the Reported Mechanical Properties

Advanced Engineering Materials, EarlyView.
Do not let thermal drift and instrument artifacts deceive high‐temperature nanoindentation results. We compare classical Oliver–Pharr and automatic image recognition analyses across steels and a Ni alloy to quantify these effects. Accounting for artifacts reveals systematic softening with temperature, while Cr and Ni additions boost resistance ...
Velislava Yonkova, Steffen Brinckmann, Ruth Schwaiger   +2 more
wiley   +1 more source

Probing resonances in the double-well entry valley of the Cl + NH₃ reaction using high-resolution anion photoelectron spectroscopy. [PDF]

Nat Commun
Yan S, Zhang R, Jie W, Chen J, Yang M, Song H, Ning C.   +6 more
europepmc   +1 more source