Results 71 to 80 of about 458,757 (252)

Equation of state for He bubbles in W and model of He bubble growth and bursting near W{100} surfaces derived from molecular dynamics simulations

Scientific Reports, 2023
Molecular dynamics (MD) simulations are performed to derive an equation of state (EOS) for helium (He) bubbles in tungsten (W) and to study the growth of He bubbles under a W(100) surface until they burst. We study the growth as a function of the initial
Wahyu Setyawan, Dwaipayan Dasgupta, Sophie Blondel, Giridhar Nandipati, Karl D. Hammond, Dimitrios Maroudas, Brian D. Wirth   +6 more
doaj   +1 more source

Density Functional Theory of doped superfluid liquid helium and nanodroplets

, 2017
During the last decade, density function theory (DFT) in its static and dynamic time dependent forms, has emerged as a powerful tool to describe the structure and dynamics of doped liquid helium and droplets.
Ancilotto, Francesco, Barranco, Manuel, Coppens, Francois, Eloranta, Jussi, Halberstadt, Nadine, Hernando, Alberto, Mateo, David, Pi, Marti   +7 more
core   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Vortex Nucleation Induced Phonon Radiation from a Moving Electron Bubble in Superfluid 4He

, 2010
We construct an efficient zero-temperature semi-local density functional to dynamically simulate an electron bubble passing through superfluid 4He under various pressures and electric fields up to nanosecond timescale. Our simulated drift velocity can be
A. F. Borghesani, Dafei Jin, R. J. Donnelly, W. Guo, Wei Guo   +4 more
core   +1 more source

Insights Into the Effect of Humic Acids Extraction From Coal on Hard Carbon Microstructure and Sodium Storage Properties

Carbon Energy, EarlyView.
This study employs a simple solid‐phase alkali‐oxygen oxidation (SAO) method to extract inherent components (humic acids) from coal. We successfully extracted yellow, brown, and black humic acids by adjusting the amount of alkali. Among them, brown humic acid extraction created abundant ultra‐micropores and closed pores, greatly enhancing sodium ...
Ruizhen Song, Yakun Tang, Xiaojun Lv, Jingjing Diao, Yue Zhang, Wenhai Zhang, Lang Liu, Limin Deng, Yuliang Cao   +8 more
wiley   +1 more source

Effect of 135Xe and 135Xem Migration on Reactivity in Molten Salt Reactor

Yuanzineng kexue jishu, 2022
Fissile material dissolved in the molten salt is employed in molten salt reactor(MSR), which circulates through the primary loop. Considering the flow characteristic of fuel in MSR, the neutron poison calculation model such as Xe is different from ...
WU Chen;YU Chenggang;CAI Xiangzhou;CHEN Jingen
doaj  

Compositional Effects of Additively Manufactured Refractory High-Entropy Alloys under High-Energy Helium Irradiation

Nanomaterials, 2022
High-Entropy Alloys (HEAs) are proposed as materials for a variety of extreme environments, including both fission and fusion radiation applications. To withstand these harsh environments, materials processing must be tailored to their given application,
Eric Lang, Kory Burns, Yongqiang Wang, Paul G. Kotula, Andrew B. Kustas, Sal Rodriguez, Assel Aitkaliyeva, Khalid Hattar   +7 more
doaj   +1 more source

Evidence From Microscopy and U–Pb Geochronology as a Clue to the Influence of the Cretaceous Magmatism in the Diagenesis of Pre‐Salt Carbonate Reservoirs in the Santos Basin (Brazil)

Geological Journal, EarlyView.
Carbonates from Santos Basin revealed U–Pb ages correlated with basalt ages (A), suggesting that they were formed during magmatic events. These events placed hot CO2 in the reservoir, which, when mixed with carbonate‐rich cold water (B), led to thermal convection, enabling the formation of the U contained in the carbonates.
Marco António Ruivo de Castro e Brito, Cristiano Leite Sombra, Davy Raeder Brandão, Cleverson Guizan Silva, Sidney Luiz de Matos Mello, Eugênio Vaz dos Santos Neto, Rui Jorge Fernandes Baptista, Ramsés Capilla, Luiz Antônio Pierantoni Gambôa   +8 more
wiley   +1 more source

Friedel Oscillations and He-He Interactions in Mo

Crystals
Helium ions implanted into metals can form ordered bubbles that are isomorphic to the host lattice. While long-range elastic interactions are generally believed to drive bubble superlattice formation, the interactions between individual helium solutes ...
Xuepeng Shen, Enzhi Liang, Qian Zhan, Wei Wang, Wen Tong Geng   +4 more
doaj   +1 more source

Distinguishing Terpene Structural Isomers With Dielectric Barrier Discharge Ionization (DBDI)‐Mass Spectrometry

Helvetica Chimica Acta, EarlyView.
DBDI enables real‐time analysis of volatile terpenes and generates atmosphere‐dependent reagent ions that produce structure‐specific spectral patterns. By tuning humidity or dopant gases, DBDI‐MS differentiates terpene isomers that appear identical by EI.
Justine Raeber, Alina Begley, Annina Bovens, Ana Curavić, Christian Steuer   +4 more
wiley   +1 more source