Results 81 to 90 of about 701,668 (295)

Thermodynamic limit for synthesis of metastable inorganic materials

Science Advances, 2018
Amorphous forms serve as thermodynamic upper bounds on the free energy scale for synthesis of metastable crystalline polymorphs. Realizing the growing number of possible or hypothesized metastable crystalline materials is extremely challenging.
Muratahan Aykol, S. Dwaraknath, Wenhao Sun, K. Persson   +3 more
semanticscholar   +1 more source

Protein Misfolding Thermodynamics [PDF]

The Journal of Physical Chemistry Letters, 2019
It is known that protein misfolding is governed by the hydrophobic effect of solutes at hydrophobic amino acid side chains. The hydrophobic force of nonaqueous solutes acts as a driving force for the spatial rearrangement of protein side chains, whose structural transitions need to be regulated in both time and space.
Md Mozzammel Haque, Richard Bayford
openaire   +3 more sources

Al–Cu Composite Casting of Laser‐Deoxidized Copper: Bonding, Interfacial Chemistry, and Thermal Conductivity

Advanced Engineering Materials, EarlyView.
This study investigates laser‐based oxide removal of Cu inserts in oxygen‐free conditions and examines long‐term oxidation kinetics and surface chemistry under different atmospheres via X‐ray photoelectron spectroscopy. Al–Cu compound casting with differently oxidized surfaces is performed, and intermetallic phase formation, morphology, and thermal ...
Timon Steinhoff, Finn‐Lennard Janthur, Sascha Zimmermann, Sarah Seffer, Jörg Hermsdorf, René Gustus, Ludger Overmeyer, Wolfgang Maus‐Friedrichs, Hans Jürgen Maier, Christian Klose   +9 more
wiley   +1 more source

An environmentally friendly deep eutectic solvent for CO2 capture

Scientific Reports
A leading cause of global warming is the increase of carbon dioxide (CO2) emissions due to anthropogenic activities which prompts an urgent need for substantial reduction. Recently, CO2 absorption in deep eutectic solvents (DESs) has attracted scientific
Ali Asghar Manafpour, Farzaneh Feyzi, Mehran Rezaee   +2 more
doaj   +1 more source

Application of thermodynamic modelling to hydrated cements

Cement and Concrete Research, 2019
Thermodynamic modelling is essential to understand the effect of binder composition on hydrate assemblage in modern Portland composite cements and its effect on durability.
B. Lothenbach, B. Lothenbach, M. Zając
semanticscholar   +1 more source

Investigation of Oxygen‐Free Wetting Behavior of Aluminum on Copper via Molecular Dynamics Simulations and Experiments

Advanced Engineering Materials, EarlyView.
The wettability of aluminum droplets (Al) on different copper substrates (Cu), where liquid Al spreads on solid Cu surfaces to form a liquid–solid interface, is studied numerically and experimentally. The experimental and numerical results show good agreement in the fast‐spreading regime.
Shan Lyu, Timon Steinhoff, Finn‐Lennard Janthur, Sarah Seffer, Jörg Hermsdorf, Christian Klose, Ludger Overmeyer, Hans‐Jürgen Maier, Nina Merkert   +8 more
wiley   +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

Entanglement thermodynamics [PDF]

Journal of Statistical Mechanics: Theory and Experiment, 2014
We investigate further the relationship between the entanglement spectrum of a composite many-body system and the energy spectrum of a subsystem making use of concepts of canonical thermodynamics. In many important cases the entanglement Hamiltonian is, in the limit of strong coupling between subsystems, proportional to the energy Hamiltonian of the ...
openaire   +2 more sources

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

A genome-scale metabolic reconstruction for Escherichia coli K-12 MG1655 that accounts for 1260 ORFs and thermodynamic information

Molecular Systems Biology, 2007
An updated genome‐scale reconstruction of the metabolic network in Escherichia coli K‐12 MG1655 is presented. This updated metabolic reconstruction includes: (1) an alignment with the latest genome annotation and the metabolic content of EcoCyc leading ...
Adam M. Feist, Christopher S. Henry, Jennifer L. Reed, Markus Krummenacker, A. R. Joyce, Peter D. Karp, L. Broadbelt, V. Hatzimanikatis, B. Ø. Palsson   +8 more
semanticscholar   +1 more source