Results 81 to 90 of about 179,504 (276)

Investigating the Low‐Temperature Phase Stability of the Binary Ta–W System

Advanced Engineering Materials, EarlyView.
Atomistic simulations show that the binary Ta–W system forms ordered intermetallic phases, B2‐TaW and D03‐TaW3, as 0 K ground states. Configurational entropy, however, lowers the free energy of the disordered bcc solid solution, which becomes the stable phase above about 400 K.
Klemens Lechner, Anna Sophie Jelinek, Velislava Terziyska, Peter Wagatha, Wolfram Knabl, Christian Mitterer, Helmut Clemens, David Holec   +7 more
wiley   +1 more source

A Machine Learning Free Energy Functional for the 1D Reference Interaction Site Model: Towards Prediction of Solvation Free Energy for All Solvent Systems

Liquids
Understanding the interactions between solutes and solvents is vital in many areas of the chemical sciences. Solvation free energy (SFE) is an important thermodynamic property in characterising molecular solvation and so accurate prediction of this ...
Jonathan G. M. Conn, Abdullah Ahmad, David S. Palmer   +2 more
doaj   +1 more source

Solubility analysis of homologous series of amino acids and solvation energetics in aqueous potassium sulfate solution

Heliyon, 2019
In this study we estimated the solubilities of glycine, D,L-alanine, D,L-nor-valine and D,L-serine in aqueous mixtures of potassium sulfate (K2SO4) at 298.15 K using analytical ‘gravimetric method’.
Aslam Hossain, Kalachand Mahali, Bijoy Krishna Dolui, Partha Sarathi Guin, Sanjay Roy   +4 more
doaj   +1 more source

High‐Entropy Alloy Interlayers Toward Advanced Joining for High‐Performance Structural Applications: Current Progress and Emerging Challenges

Advanced Engineering Materials, EarlyView.
HEA interlayers offer a versatile route for joining high‐performance structural materials. Their compositional and structural design regulates interfacial reactions, suppresses brittle IMCs, and improves metallurgical bonding. Sandwich interlayers further integrate defect healing with precipitation strengthening, enabling improved strength–ductility ...
Lin Yuan, Jiafen Song, Jinglong Li, Jiangtao Xiong, Tao Yang   +4 more
wiley   +1 more source

Impact of the Process Atmosphere During Hot Isostatic Pressing on the Near‐Surface Composition of an Additively Manufactured Austenitic High‐Interstitial Steel

Advanced Engineering Materials, EarlyView.
A high interstital austenitic steel is additively manufactured and postdensified by HIP to eliminate gas porosity. Thereby, the loss of N and Mn in Ar HIP atmosphere is investigated. Further, HIP using N2 atmosphere is investigated which led to excessive nitride formation.
F. Großwendt, J. Hahn, J. Kimm, S. Weber, J. Lentz   +4 more
wiley   +1 more source

Impact of Hydrogen Incorporation on Electronic and Magnetic Structure of X2CrNi18‐9 Stainless Steel

Advanced Engineering Materials, EarlyView.
Hydrogen uptake in austenitic stainless steel alters both its electronic and magnetic structure. Seebeck measurements reveal hydrogen‐induced shifts in the electronic density of states, while neutron scattering uncovers nanoscale inhomogeneities that grow upon hydrogen incorporation, with the most pronounced effect observed in the PBF as‐built state ...
Torben Tappe, Louis Becker, Gaurav Kanu, Thomas F. Headen, Dirk Honecker, Gabi Schierning, Santiago Benito, Sebastian Weber, Klara Lünser, Sabrina Disch   +9 more
wiley   +1 more source

EFFECT OF SOME ORGANIC SOLVENTS IN SATURATION ON THE THERMODYNAMIC FUNCTIONS OF DISSOLUTION FOR NAPROXEN IN AQUEOUS MEDIA AT PHYSIOLOGICAL pH

Vitae, 2009
Naproxen (NAP) is a widely used non-steroidal anti-inflammatory drug, whose physicochemical properties have not been thoroughly studied. As a contribution to the physicochemical characterization of NAP in aqueous solution, we evaluated the effect of some
Carolina P. MORA G., Helber J. BARBOSA B., Fleming MARTÍNEZ R.   +2 more
doaj  

Thermal Cycle–Microstructure–Property Relationships in Rail Steel Heat‐Affected Zone Simulated by Gleeble

Advanced Engineering Materials, EarlyView.
Microstructural evolution of premium rail steel during flash butt welding (FBW), comparing physically simulated heat‐affected zones with actual weld regions. Thermal cycles induce phase transformations and microstructural heterogeneity that influence weld quality and mechanical performance. These findings provide insights into optimizing FBW parameters
Emmanoelle Cintra da Cunha Araújo, João Marcos da Silva Nunes, Marcelly Cristiny Nunes de Carvalho, Alex Rojas, Cristie Luis Kugelmeier, Cristhian Ricardo Loayza Loayza, João Carlos Ferreira, Maria Veronica Goncalves Rodrigues, Rute Sayuri Kano, Isaac Araújo Furtado, Jacyara Dalylla da Silva Nunes, Jhonatan Peres de Sousa, Marcos Natan da Silva Lima, Eden Santos Silva, Gedeon Silva Reis, Samuel Filgueiras Rodrigues   +15 more
wiley   +1 more source

Molecular theory of solvation: Methodology summary and illustrations

Condensed Matter Physics, 2015
Integral equation theory of molecular liquids based on statistical mechanics is quite promising as an essential part of multiscale methodology for chemical and biomolecular nanosystems in solution.
A. Kovalenko
doaj   +1 more source

Solvation thermodynamics from cavity shapes of amino acids. [PDF]

PNAS Nexus, 2023
Azizi K, Laio A, Hassanali A.
europepmc   +1 more source