Linear Free Energy Relationships of Complexes(XIX) [PDF]
Acta Physico-Chimica Sinica, 1994 Xian Jing-Chun +3 more
openaire +1 more source
Hydrogen‐Assisted Fracture of Iron‐Based Fe–Ni–Al Alloys
Advanced Engineering Materials, EarlyView.Principal relations and fracture mechanisms of single‐phase and precipitate‐strengthened Fe–Ni–Al alloys subjected to prior electrochemical hydrogen charging are identified. The mechanisms of hydrogen effect on strength and microhardness are discussed, including hydrogen‐induced increase in microhardness and the role of hydrogen in fracture behavior ...
Nataliya Yadzhak +3 more
wiley +1 more source
Nature CommunicationsMolecular isomerization kinetics in liquid solvent depends on a complex interplay between the solvent friction acting on the molecule, internal dissipation effects (also known as internal friction), the viscosity of the solvent, and the dihedral free ...
Benjamin A. Dalton +2 more
doaj +1 more source
Mechanistic insights into RNA transphosphorylation from kinetic isotope effects and linear free energy relationships of model reactions. [PDF]
Chemistry, 2014 Chen H +5 more
europepmc +1 more source
Fatigue Crack Initiation and Growth in Nanocrystalline Ni at Multiple Length‐Scales
Advanced Engineering Materials, EarlyView.Overview of miniaturized in situ SEM fatigue setup and resultant fatigue crack growth data for nanocrystalline Ni. The presented study focuses on the analysis of fatigue crack growth rate (FCGR) in focused ion beam‐notched microcantilevers prepared from nanocrystalline (NC) Ni as a model material.
Igor Moravcik +7 more
wiley +1 more source
Concentration-dependent polyparameter linear free energy relationships to predict organic compound sorption on carbon nanotubes. [PDF]
Sci Rep, 2014 Zhao Q, Yang K, Li W, Xing B.
europepmc +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 +8 more
wiley +1 more source
On the Origins of the Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in S(N)2 Reactions. [PDF]
J Chem Theory Comput, 2012 Rosta E, Warshel A.
europepmc +1 more source
Creep Properties and Deformation Mechanism of Additively Manufactured NiAl‐CrMo Composites
Advanced Engineering Materials, EarlyView.Additively manufactured NiAl‐CrMo composites contain numerous interfaces and cell boundaries that control their creep response. At 700°C under high applied stress, creep is dominated by dislocation‐controlled power‐law mechanisms. At 800°C–900°C and lower stresses, creep is primarily diffusion‐controlled along cell boundaries.
Jan Vollhüter +9 more
wiley +1 more source
Advanced Engineering Materials, EarlyView.The present study investigates recycling of NiTi shape memory alloys via vacuum induction melting. An ingot was synthesized from elemental Ni and Ti and subjected to three subsequent remelting cycles. Remelting increases process durations and impurity levels and adversely affects microstructures and functional properties.
Sakia Sophia Noorzayee +7 more
wiley +1 more source