Results 51 to 60 of about 121,703 (314)

Thermodynamics and evaporation of a modified Schwarzschild black hole in a non–commutative gauge theory

Physics Letters B, 2023
In this work, we study the thermodynamic properties on a non–commutative background via gravitational gauge field potentials. This procedure is accomplished after contracting de Sitter (dS) group, SO(4,1), with the Poincarè group, ISO(3,1). Particularly,
A.A. Araújo Filho, S. Zare, P.J. Porfírio, J. Kříž, H. Hassanabadi   +4 more
doaj   +1 more source

Vortices in a mesoscopic superconducting circular sector [PDF]

, 2007
In the present paper we develop an algorithm to solve the time dependent Ginzburg-Landau (TDGL) equations, by using the link variables technique, for circular geometries.
Lisboa-Filho, Paulo Noronha, Malvezzi, Andre Luiz, Sardella, Edson   +2 more
core   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Generalized chemical model for plasmas with application to the ionization potential depression

New Journal of Physics, 2023
On the basis of the generalized Poisson–Boltzmann equation derived from the Bogolyubov chain of equations for the equilibrium distribution functions in the pair correlation approximation, a general expression is proposed for the Helmholtz free energy of ...
A E Davletov, Yu V Arkhipov, Ye S Mukhametkarimov, L T Yerimbetova, I M Tkachenko   +4 more
doaj   +1 more source

Thermodynamics of the Flexible Metal-Organic Framework Material MIL-53(Cr) From First Principles

, 2017
We use first-principles density functional theory total energy and linear response phonon calculations to compute the Helmholtz and Gibbs free energy as a function of temperature, pressure, and cell volume in the flexible metal-organic framework material
Cockayne, Eric
core   +2 more sources

A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science

Advanced Engineering Materials, EarlyView.
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann, Sarath Menon, Raphael Röske, Johannes Steinhülb, Michael Selzer, Jan Janssen, Tilmann Hickel, Ruth Schwaiger, Jörg Neugebauer   +8 more
wiley   +1 more source

Linking Phase Transitions and Quantum Entanglement at Arbitrary Temperature

, 2018
In this work, we establish a general theory of phase transitions and quantum entanglement in the equilibrium state at arbitrary temperatures. First, we derived a set of universal functional relations between the matrix elements of two-body reduced ...
Wei, Bo-Bo
core   +1 more source

Toward Knowledge‐Based Workflows: A Semantic Approach to Atomistic Simulations for Mechanical and Thermodynamic Properties

Advanced Engineering Materials, EarlyView.
Knowledge‐based atomistic workflows are presented for mechanical and thermodynamic properties. By coupling modular simulations with ontology‐aligned metadata and provenance, Fe case studies on elastic behavior, defects, thermal properties, and Hall–Petch strengthening reveal how FAIR, queryable, and reusable simulation data can be generated. Mechanical
Abril Azócar Guzmán, Hoang‐Thien Luu, Sarath Menon, Tilmann Hickel, Nina Merkert, Stefan Sandfeld   +5 more
wiley   +1 more source

The self-referential method for linear rigid bodies : application to hard and Lennard-Jones dumbbells [PDF]

, 2009
The self-referential (SR) method incorporating thermodynamic integration (TI) [Sweatman et al., J. Chem. Phys. 128, 064102 (2008)] is extended to treat systems of rigid linear bodies.
Alexander Atamas, Allen M. P., Bernstein J., Frenkel D., Goho A., Jean-Marc Leyssale, Martin B. Sweatman   +6 more
core   +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

Advanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer, Mareen Stahlberger, Xiaojing Liu, Yi Luo, Niklas E. Häußermann, Puja Singhvi, Yidong Liu, Olaf Fuhr, Martin Nieger, Lars Heinke, Thomas Heine, Christof Wöll, Stefan Bräse   +12 more
wiley   +1 more source