Results 31 to 40 of about 166,305,928 (302)

A Two-Step Machine Learning Method for Predicting the Formation Energy of Ternary Compounds

Computation, 2023
Predicting the chemical stability of yet-to-be-discovered materials is an important aspect of the discovery and development of virtual materials. The conventional approach for computing the enthalpy of formation based on ab initio methods is time ...
Varadarajan Rengaraj, Sebastian Jost, Franz Bethke, Christian Plessl, Hossein Mirhosseini, Andrea Walther, Thomas D. Kühne   +6 more
doaj   +1 more source

Low-temperature heat capacity and standard molar enthalpy of formation of 9-fluorenemethanol (C14H12O)

, 2004
Low-temperature heat capacities of the 9-fluorenemethanol (C14H12O) have been precisely measured with a small sample automatic adiabatic calorimeter over the temperature range between T = 78 K and T = 390 K.
Liu, YF, Sun, LX, Wang, MH, Zhang, HT, Xu, F, Tan, ZC, Di, YY, Sun, XH   +7 more
core   +1 more source

Alkaloids and Selected Topics in Their Thermochemistry

Molecules, 2021
Alkaloid chemistry is varied and complex. Many alkaloids attract a great deal of interest because of their physiological activity, yet surprisingly little is known about the thermochemistry of these compounds, especially in the gas phase.
Maja Ponikvar-Svet, Diana N. Zeiger, Joel F. Liebman   +2 more
doaj   +1 more source

Criteria of predicting phase formation for MSi2-Type High-Entropy refractory metal silicides

Materials & Design, 2023
MSi2-type high-entropy refractory metal silicides (HERMS) have excellent oxidation resistance at medium and high temperatures due to high entropy effect, which is a promising ultrahigh temperature structural material.
Laiqi Zhang, Huicong Li, Zepeng Xiao
doaj   +1 more source

Revisiting Stability Criteria in Ball‐Milled High‐Entropy Alloys: Do Hume–Rothery and Thermodynamic Rules Equally Apply?

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez, Alejandro F. Manchón‐Gordón, Antonio Vidal‐Crespo, Rafael Caballero‐Flores, Jhon J. Ipus, Clara F. Conde   +5 more
wiley   +1 more source

Low temperature heat capacities and standard molar enthalpy of formation of sodium benzoate C6H5COONa (s)

, 2009
Sodium benzoate was synthesized by the method of liquid phase synthesis, in which benzoic acid and anhydrous sodium carbonate were chosen as the reactants.
Di, You-Ying, Tan, Zhi-Cheng, You-Ying Di, Qi, Yu-Dong, Kong, Yu-Xia, Yang, Wei-Wei   +5 more
core   +1 more source

Characterization of Defect Distribution in an Additively Manufactured AlSi10Mg as a Function of Processing Parameters and Correlations with Extreme Value Statistics

Advanced Engineering Materials, EarlyView.
Predicting extreme defects in additive manufacturing remains a key challenge limiting its structural reliability. This study proposes a statistical framework that integrates Extreme Value Theory with advanced process indicators to explore defect–process relationships and improve the estimation of critical defect sizes. The approach provides a basis for
Muhammad Muteeb Butt, Varma Kvvssn, Hossein Laieghi, Zia Uddin, Peyman Ansari, E. Kıvanç Sadak, Can Barış Toprak, Hüseyin Kızıl, Enrico Salvati   +8 more
wiley   +1 more source

Molar heat capacities and standard molar enthalpy of formation of 2-amino-5-methylpyridine

, 2009
The heat capacities (C (p,m)) of 2-amino-5-methylpyridine (AMP) were measured by a precision automated adiabatic calorimeter over the temperature range from 80 to 398 K.
Q. Shi, Wang, S. X., J. Zhang, 谭志诚, Q. Meng, B. Tong, S. Wang, Z. Tan, Zhang, J. N., Meng, Q. F., Shi, Q., Tan, Z. C., Tong, B.   +12 more
core   +1 more source

Thermodynamic Properties of Two Cinnamate Derivatives with Flavor and Fragrance Features

Liquids
The standard molar enthalpies of formation in the liquid phase for ethyl (E)-cinnamate and ethyl hydrocinnamate, two cinnamate derivatives with notable flavor and fragrance characteristics, were determined experimentally using combustion calorimetry in ...
Vera L. S. Freitas, Carlos A. O. Silva, Maria D. M. C. Ribeiro da Silva   +2 more
doaj   +1 more source

Formation enthalpy of BaCe0.7Nd0.2In0.1O2.85

, 2012
In this paper for the first time we synthesized the compound BaCe0.7Nd0.2In0.1O2.85 by solid-state reaction. The phase has orthorhombic structure (space group Pmcn). We also measured the standard formation enthalpies of BaCe0.7Nd0.2In0.1O2.85 by solution calorimetry in 1 M HCl with 0.1 M KI.
Matskevich, M. Yu., Matskevich, N. I., Wolf, Th., Bryzgalova, A. N., Chupakhina, T. I., Anyfrieva, O. I., Vyazovkin, I. V.   +6 more
openaire   +2 more sources