Results 51 to 60 of about 267,431 (292)

Ab initio study of the beta$-tin->Imma->sh phase transitions in silicon and germanium

, 2004
We have investigated the structural sequence of the high-pressure phases of silicon and germanium. We have focussed on the cd->beta-tin->Imma->sh phase transitions.
A. Bergamin, A. Polian, A. Werner, A. Yoshiasa, A.S. Cooper, C.S. Menoni, D. Vanderbilt, D. Windisch, D.M. Bylander, D.M. Ceperley, Dieter Strauch, F.D. Murnaghan, F.J. Ribeiro, G. Basile, G. Kresse, G. Kresse, G. Mills, H. Holloway, H. Olijnyk, H. Olijnyk, H.J. Monkhorst, I.L. Spain, J.C. Jamieson, J.P. Perdew, J.P. Perdew, J.Z. Hu, J.Z. Hu, K. Gaal-Nagy, K. Gaal-Nagy, K. Gaal-Nagy, Katalin Gaál-Nagy, M. Hanfland, M. Hebbache, M. Methfessel, M.A. Baublitz, M.I. McMahon, M.I. McMahon, M.I. McMahon, M.P. Teter, M.T. Yin, N. Boccara, N.E. Christensen, P. Hohenberg, P. Pulay, P. Vinet, Pasquale Pavone, R.J. Needs, R.J. Nelmes, S.B. Quadri, S.J. Duclos, S.P. Lewis, S.P. Lewis, W. Kohn, Y.K. Vohra, Y.X. Zhao   +54 more
core   +1 more source

Recycling of NiTi Shape Memory Alloys: Fundamental and Technological Aspects of a Vacuum Induction Melting Processing Route

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, Son Tung Mai, Sarath Menon, Braulio Gadiel Sánchez Ortega, Ralf Drautz, Alexander Kauffmann, Gunther Eggeler, Jan Frenzel   +7 more
wiley   +1 more source

Viscoelasticity and metastability limit in supercooled liquids [PDF]

, 2005
A supercooled liquid is said to have a kinetic spinodal if a temperature Tsp exists below which the liquid relaxation time exceeds the crystal nucleation time.
A. Roitburd, Alessandro Attanasi, Andrea Cavagna, D. Turnbull, J. Ferry, J. W. P. Schmelzer, José Lorenzana, P. Voorhees, V. Skripov   +8 more
core   +1 more source

Proton affinities and ion enthalpies [PDF]

European Journal of Mass Spectrometry, 2017
Proton affinities of a number of alkyl acetates (CH3–C(=O)–OR) and of methyl alkanoates (R–C(=O)–OCH3, R=H, alkyl) have been assembled from the literature or measured using the kinetic method. It was observed that the proton affinities for the isomeric species CH3–C(=O)–OR and R–C(=O)–OCH3 are almost identical, an unexpected result as the charge in ...
Holmes, J L, van Huizen, Nick, Burgers, Peter   +2 more
openaire   +2 more sources

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

Electrochemical Behavior of Flame‐Sprayed Sc‐Doped AlCoCrFeMo High‐Entropy Alloy Coatings in 3.5% Sodium Chloride Solution

Advanced Engineering Materials, EarlyView.
Scandium (Sc)‐doped AlCoCrFeMo HEA coatings are fabricated via flame spraying with 0.1, 0.3, and 0.5 wt% Sc additions. Among these, the HEA‐Sc0.3 coating exhibits the highest corrosion resistance, indicated by a more positive corrosion potential and lower current density.
Pankaj Kumar, Akash Vyas, Mohammad Aatif Qazi, Nashit Jalal, Maria Ophelia Jarligo, Mostafa Yakout, Jing Liu, André McDonald   +7 more
wiley   +1 more source

Undergraduate students' conceptions of enthalpy, enthalpy change and related concepts

Chem. Educ. Res. Pract., 2014
Research shows that students have problems understanding thermodynamic concepts and that a gap exists at the tertiary level related to more specific chemistry concepts such as enthalpy. Therefore, the aim of this study is to construct undergraduate students' conceptions of enthalpy, its change and related concepts. Three explorative small-scale studies
Nilsson, Tor, Niedderer, Hans
openaire   +3 more sources

Rational Fine‐Tuning of MOF Pore Metrics: Enhanced SO2 Capture and Sensing with Optimal Multi‐Site Interactions

Advanced Functional Materials, EarlyView.
A pore tuning strategy to amplify the multi‐site MOF‐SO2 interactions is proposed to achieve an enhanced trace SO2 capture and chemiresistive sensing in highly stable isostructural DMOFs by annelating benzene rings. This work provides a facile strategy to achieve tailor‐made stable MOF materials for specific multifunctional applications.
Shanghua Xing, Abdulrahman Mohabbat, István Boldog, Jens Möllmer, Marcus Lange, Yulyan Haiduk, Tobias Heinen, Vladimir Pankov, Oliver Weingart, Christoph Janiak   +9 more
wiley   +1 more source

Sustainability Assessment of Dry Reforming of Methane via Carbon Intensity and Syngas Energy Recovery Analysis

Energies
This study conducts a comprehensive sustainability assessment of Dry Reforming of Methane (DRM), focusing on carbon intensity and syngas energy recovery (%) as primary performance indicators.
Sheila Devasahayam, John Samuel Thella, Manoj K. Mohanty   +2 more
doaj   +1 more source

Interface Enthalpy-Entropy Competition in Nanoscale Metal Hydrides

Inorganics, 2018
We analyzed the effect of the interfacial free energy on the thermodynamics of hydrogen sorption in nano-scaled materials. When the enthalpy and entropy terms are the same for all interfaces, as in an isotropic bi-phasic system, one obtains a ...
Nicola Patelli, Marco Calizzi, Luca Pasquini   +2 more
doaj   +1 more source