Results 81 to 90 of about 241 (206)

Carnot Theorem Revisited: A Critical Perspective

Entropy
After a brief review of Carnot’s everlasting contributions to the foundations of thermodynamics, we critically examine the consequences of the Carnot theorem, which leaves behind some lingering questions and confusion that persist even today. What is the
P. D. Gujrati
doaj   +1 more source

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

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Navigating the syndemic: a socio-psychological approach to food security and responsible consumption in low-income populations

Frontiers in Nutrition
Global food security is currently a priority, especially amid a “grim regression” that is undermining efforts to eradicate malnutrition by 2030. This perspective argues that the current crisis is not merely a supply chain disruption but a syndemic ...
Nahui Samanta Nájera-Segura, Nahui Samanta Nájera-Segura, Nahui Samanta Nájera-Segura, Adrián Martínez-Vargas, Beatriz Chávez-Ceja, María del Carmen Avendaño-Rito, Eduardo Cruz-Cruz, Paola Miriam Arango-Ramírez, Hector Alejandro Cabrera-Fuentes, Hector Alejandro Cabrera-Fuentes, Hector Alejandro Cabrera-Fuentes, Hector Alejandro Cabrera-Fuentes, Hector Alejandro Cabrera-Fuentes, Sandra Nelly Leyva-Hernández   +13 more
doaj   +1 more source

Theory and simulations of caloric effects in ferroelectric materials

, 2023
Theoretical investigation and design of ultra-reactive functional ...
openaire   +1 more source

Precipitation Simulations of the O‐Phase in Ti2AlNb Alloys Processed by Laser Powder Bed Fusion

Advanced Engineering Materials, EarlyView.
Simulated and experimental evolution of the O‐phase volume fraction during postprocessing of a Ti‐21Al‐25Nb (at.%) alloy processed by laser powder bed fusion. With results of sensitivity to input parameters from a thorough and quantified analysis, the interfacial energy matrix/precipitate is the most relevant input parameter for the simulation of the O‐
Silvana Tumminello, Joachim Gussone, Suzana G. Fries, Marcus Rackel, Andreas Stark, Norbert Schell, Jan Haubrich, Guillermo Requena   +7 more
wiley   +1 more source

Microwave-Assisted Extraction of Rubusoside from Rubus chingii var. suavissimus Leaves Using a Recyclable Ternary Deep Eutectic Solvent: Process Optimization and Mechanistic Insights

Foods
Rubusoside is the major sweet bioactive compound in Rubus chingii var. suavissimus (S.K.Lee) L.T.Lu, characterized by high sweetness, low caloric value, and favorable safety, with potential applications as a natural sweeteners and in functional foods ...
Heyao Liang, Zhenjiang Jin, Chengxi Yang, Ziyuan Li, Weijian Chen, Wu Yuan   +5 more
doaj   +1 more source

Modeling Dislocation Cutting of γ′ Precipitates in Ni‐Base Superalloys: Linking Atomistic and Dislocation Dynamics Simulations

Advanced Engineering Materials, EarlyView.
Dislocation cutting of γ′ precipitates in Ni‐based superalloys is investigated by linking atomistic simulations with discrete dislocation dynamics. The critical cutting stress is shown to be governed by the antiphase boundary energy, while line tension effects promote edge‐preferred cutting.
Frédéric Houllé, Siwen Gao, Marc Fivel, Anxin Ma, Daria Smirnova, Sriram Anand, Arun Prakash, Julien Guénolé, Alexander Hartmaier, Erik Bitzek   +9 more
wiley   +1 more source

Caloric Theory [PDF]

Nature, 1971
openaire   +1 more source