Results 131 to 140 of about 3,006,412 (323)

Coupling of state-resolved rovibrational coarse-grain model for nitrogen to stochastic particle method for simulating internal energy excitation and dissociation

, 2018
We propose to couple a state-resolved rovibrational coarse-grain model to a stochastic particle method for simulating internal energy excitation and dissociation of a molecular gas. An existing coarse-grain model based on the NASA Ames ab initio database
Magin, Thierry E., Torres, Erik
core   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

THERMODYNAMIC MODELING OF THE BALANCED PHASE CONTENTS OF THE CAST BORON-CONTAINING ALLOY

Литьë и металлургия, 2005
The program ASTRA-4 with thermodynamic database is used in this work fo r thermodynamic modeling of cast alloy, received due to volume alloying by boron.
N. F. Nevar, Ju. N. Fasevich
doaj  

Integrated experimental and thermodynamic modeling study of slag-matte-metal equilibrium in the Pb–Fe–O–S–Si-(Al, Ca, Zn) systems at 1100–1200 °C

Journal of Materials Research and Technology
Integrated experimental and thermodynamic modeling study was undertaken to characterize the effect of Al, Ca and Zn on the partitioning of elements between the slag, matte and metal phases in the Pb–Fe–O–S–Si-(Al), (-Ca), and (-Zn) systems in equilibrium
A. Fallah-Mehrjardi, T. Hidayat, H. Abdeyazdan, D. Shishin, M. Shevchenko, P.C. Hayes, E. Jak   +6 more
doaj   +1 more source

Two-Phase Thermodynamic Model for Efficient and Accurate Absolute Entropy of Water from Molecular Dynamics Simulations [PDF]

, 2010
Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal
Goddard, William A., III, Lin, Shiang-Tai, Maiti, Prabal K.   +2 more
core  

A Family of Sodium Solid‐State Electrolytes Based on the NaGaxAl1‐xCl4 Solid Solution

Advanced Materials Interfaces, EarlyView.
ABSTRACT Sodium‐based metal chloride solid electrolytes are promising for sodium solid‐state batteries due to their excellent oxidation stability, which, as shown for Li halides, can coexist with high ionic conductivity. To explore cationic substitution effects, we synthesized NaGaxAl1‐xCl4 (0 ≤ x ≤ 1) via ball milling and investigated structural and ...
Hao Guo, Matteo Bianchini
wiley   +1 more source

Phase Equilibrium Studies of Nonferrous Smelting Slags: A Review

Metals
Pyrometallurgy is the primary technique for the production of many nonferrous metals such as copper, lead, and zinc. The phase equilibrium information of smelting slags plays an important role in the efficient extraction of metals and energy consumption.
Sui Xie, Baojun Zhao
doaj   +1 more source

From the Discovery of the Giant Magnetocaloric Effect to the Development of High‐Power‐Density Systems

Advanced Materials Technologies, EarlyView.
The article overviews past and current efforts on caloric materials and systems, highlighting the contributions of Ames National Laboratory to the field. Solid‐state caloric heat pumping is an innovative method that can be implemented in a wide range of cooling and heating applications.
Agata Czernuszewicz, Yaroslav Mudryk, Jun Cui, Lucas Griffith, Duane D. Johnson, Julie Slaughter   +5 more
wiley   +1 more source

Development of Nanoflare Nanosensors for Monitoring Cellular Insulin mRNA in Beta Cells and Islets

Advanced Materials Technologies, EarlyView.
This study presents the design and application of In2‐NF probes for detecting insulin mRNA in beta cells and islets. Using spherical nucleic acid‐coated gold nanoparticles, the probes offer strong fluorescent signals upon hybridization. Their performance is validated across 2D and 3D cultures and rat islets, demonstrating sensitive, real‐time mRNA ...
Yana Hu, Qizheng Zhang, Tianli Hu, Juewen Liu, Hongxing Fu, Xin Zhao, Zijiang Yang, Chenjie Xu   +7 more
wiley   +1 more source

Shaping Carbon Nitrides for Advanced Macrostructures

Advanced Materials Technologies, EarlyView.
This review examines how carbon nitride can be shaped through a range of printing and interfacial assembly methods. By bringing together additive manufacturing and liquid–liquid structuring concepts, carbon nitride is moving beyond its traditional powder‐based photocatalyst form toward digitally designed robust macroscale architectures with high design
Simona Baluchová, Baris Kumru
wiley   +1 more source