Results 31 to 40 of about 1,230,916 (170)

Unveiling Mechanisms of SEI Formation and Sodium Loss in Sodium Batteries via Interface Reactor Sampling

Advanced Science, EarlyView.
An “Interface Reactor” strategy boosts simulation stability by 2–3 orders of magnitude, enabling stable 100 ns molecular dynamics of electrode‐electrolyte interfaces. Distinct SEI formation mechanisms are revealed: mixed co‐formation in carbonates versus surface‐energy‐controlled NaF crystallization in ethers. Metadynamics simulations further elucidate
Zhoulin Liu, Ziliang Wang, Zherui Chen, Jianchun Sha, Fengzijun Pan, Pingyang Zhang, Yinghe Zhang   +6 more
wiley   +1 more source

Polymer Brushes Govern Defect‐Selective Oxidative Etching of Penta‐Twinned Gold Nanorods

Angewandte Chemie, Volume 138, Issue 39, 21 September 2026.
Polymer brushes act as active interfacial regulators of oxidative etching, directing it to crystallographic defects. In penta‐twinned gold nanorods, defect–ligand interplay localizes etching to defect regions and induces surface corrugations on the long nanorod sides. This work establishes a framework for programmable nanoengineering of the surfaces of
Tianyi Wu, Irina Koriakina, Feng Li, Zhi‐bo Yang, Yan Zhang, Zitao Chen, Da Wang, Zhihong Nie, Kun Liu, Eugenia Kumacheva   +9 more
wiley   +2 more sources

Unveiling the Ultralow Thermal Conductivity of Hybrid Perovskites

Advanced Science, EarlyView.
In hybrid perovskites, thermal energy flows through lattice vibrations of the framework (48%–65%) and organic molecules (35%–52%). When the disorder introduced by organic molecules is excluded, the temperature dependence of the vibrational thermal conductivity results from the lattice framework transits from ∼T0 to ∼T−1, and the value doubles at room ...
Qinqin He, Yuli Chen, Zhigang Li, Yanguang Zhou   +3 more
wiley   +1 more source

The virial theorem and the Price equation

, 2023
We observe that the time averaged continuous Price equation is identical to the positive momentum virial theorem, and we discuss the applications and implications of this connection.Comment: 8 ...
Liorsdóttir, Steinunn, Pachter, Lior
core  

The virial equation of state based on critical constants [PDF]

, 1964
Results obtained from the Epstein equation of state15 i.e. equation (8), which is theoretically valid up to the critical density, are compared with the experimental values of the compressibility factor.
Patel, Ghanshyam R.
core   +1 more source

pyDMS: A Python package for the determination of physics‐informed dual‐mode sorption (DMS) parameters

AIChE Journal, EarlyView.
Abstract Sorption in glassy polymer membranes is commonly modeled with the dual‐mode sorption (DMS) model. Fitting the DMS model to sorption isotherms presents challenges, as multiple parameter sets may prove satisfactory. This work presents pyDMS, an open‐source Python package for the computation of DMS parameters obtained via a physics‐informed ...
Brandon C. Tapia, Pablo A. Dean, Jing Ying Yeo, Albert X. Wu, Zachary P. Smith   +4 more
wiley   +1 more source

Virial equation of state for a granular system [PDF]

The equation of state for an ideal gas is simple, which is $$P=nk_\textrm{B}T$$. In the case of imperfect gases where mutual interactions among the constituents are important, pressure P can be expressed as the series expansion of density n with ...
Das, Prasenjit, Howlader, Subhanker, Prasenjit Das, Subhanker Howlader   +3 more
core   +1 more source

Developing slurries for carbon capture: From synthetic gas mixtures to flue gas

AIChE Journal, EarlyView.
Abstract Deep eutectic solvent (DES)‐based systems have recently emerged as promising alternatives to conventional liquid sorbents for CO2 capture due to their tunable properties and potential for enhanced mass transfer. In this work, two DES‐based slurry systems previously developed for CO2 capture, one aqueous and one non‐aqueous, were further ...
Sahar Foorginezhad, Elena Wikberg, Fredrik Weiland, Xiaoyan Ji   +3 more
wiley   +1 more source

On particle scattering in Gross-Pitaevskii theory and implications for dark matter halos

Frontiers in Astronomy and Space Sciences, 2023
Bose-Einstein-condensed dark matter (BEC-DM), also called scalar field dark matter (SFDM), has become a popular alternative to the standard, collisionless cold dark matter (CDM) model, due to its long-held potential to resolve the small-scale crisis of ...
Tanja Rindler-Daller
doaj   +1 more source

Objectives and Key Results–Driven Multiagent Framework for Mechanical Design and Simulation

Advanced Intelligent Systems, EarlyView.
Objectives and key results (OKR)‐agent, an OKR‐driven multiagent framework, turns a plain‐language engineering goal into completed mechanical simulations. Three peer agents—supervisor, modeler, and simulator—share a compact board of OKR and coordinate external molecular dynamics (MD) and finite‐element solvers through a standardized tool interface. The
Jie Tian, Lin Pang, Jixin Hou, Xiao Sun, James Jaraczewski, Xianyan Chen, Kenan Song, Xiaoming Zhai, Tianming Liu, Keke Tang, Xianqiao Wang   +10 more
wiley   +1 more source