Results 81 to 90 of about 24,682,132 (307)

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Advanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source

Thermodynamic Properties of Aqueous Species Calculated Using the HKF Model: How Do Different Thermodynamic and Electrostatic Models for Solvent Water Affect Calculated Aqueous Properties?

Geofluids, 2019
Thermodynamic properties of aqueous species are essential for modeling of fluid-rock interaction processes. The Helgeson-Kirkham-Flowers (HKF) model is widely used for calculating standard state thermodynamic properties of ions and complexes over a wide ...
George D. Miron, Allan M. M. Leal, Alina Yapparova   +2 more
doaj   +1 more source

Creating Ti–Fe α/β Alloys by Diffusion‐Driven Solid‐State Processing

Advanced Engineering Materials, EarlyView.
This study proposes making alloys containing fast diffusing elements that are difficult to produce by ingot metallurgy, by diffusion‐driven solid‐state HIP processing of elemental powders and low‐temperature homogenisation. Here, novel Fe‐Ti α–β alloys are formed having fine α–β lamellae, a small β prior grain size without significant intermetallics ...
Jiaqi Xu, Xun Zhang, Jack M. Donoghue, Albert D. Smith, Rahul Unnikrishnan, Rhys Thomas, Vahid Nekouie, Jie Luo, Dongchen Hu, Michael Preuss, Philip J. Withers   +10 more
wiley   +1 more source

Microscopic Models for Chemical Thermodynamics [PDF]

Journal of Statistical Physics, 2005
We introduce an infinite particle system dynamics, which includes stochastic chemical kinetics models, the classical Kac model and free space movement. We study energy redistribution between two energy types (kinetic and chemical) in different time scales, similar to energy redistribution in the living cell.
openaire   +2 more sources

Validating Thermodynamic Models of Arc‐Magma Differentiation and Training Neural Networks for Rapid Thermodynamic Property Inference

Geochemistry, Geophysics, Geosystems
Magmatic systems are the products of the migration and storage of compositionally evolving magmas within the solid crust. Direct computation of thermodynamic properties during magma transport remains a major challenge in multiphase‐transport modeling due
Lorenzo G. Candioti, Chetan L. Nathwani, Cyril Chelle‐Michou   +2 more
doaj   +1 more source

Thermodynamic Interpretation of the Kompanneets–Chernov–Kantowski–Sachs Solutions

Universe
The spatially homogeneous perfect fluid solutions by Kompanneets–Chernov–Kantowski–Sachs are interpreted as a thermodynamic perfect fluid in isentropic evolution, namely, the isentropic limit of their non-homogeneous generalizations, the T-models.
Salvador Mengual, Joan Josep Ferrando
doaj   +1 more source

Classifying thermodynamic cloud phase using machine learning models [PDF]

Atmospheric Measurement Techniques
Vertically resolved thermodynamic cloud-phase classifications are essential for studies of atmospheric cloud and precipitation processes. The Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Thermodynamic Cloud Phase (THERMOCLDPHASE ...
L. Goldberger, M. Levin, C. Harris, C. Harris, A. Geiss, M. D. Shupe, M. D. Shupe, D. Zhang   +7 more
doaj   +1 more source

Solid‐State Diffusion and Intermetallic Phase Formation in Roll‐Bonded Mg–Zn Composites With Kirigami‐Patterned Inlay

Advanced Engineering Materials, EarlyView.
Mg–Zn composites with a thickness of 0.21 mm were fabricated using roll bonding of a kirigami‐patterned Mg alloy inlay within a Zn matrix. Thermal activation following this process led to the formation of tailored intermetallic structures, which provided the composite with enhanced flexural strength.
Yaroslav Frolov, Oleksandr Bobukh, Christian Klose, Florian Nürnberger, Hans Jürgen Maier   +4 more
wiley   +1 more source

Thawing and freezing quintessence models: a thermodynamic consideration

European Physical Journal C: Particles and Fields, 2019
Thawing and freezing quintessence models are compared thermodynamically. Both of them are found to disobey the generalized second law of thermodynamics.
Tanima Duary, Ananda Dasgupta, Narayan Banerjee   +2 more
doaj   +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