10 papers
An anharmonic liquid-entropy functional from the Mori-Zwanzig memory kernel
Ricardo Buarque, Mauro Gascon, Tod A. Pascal
We utilize the Mori-Zwanzig memory kernel to separate the density of states of a liquid into gas, cage, and harmonic-solid components. The cage entropy is computed self-consistentl…
Distributed Energy System Design including Unbalanced AC Power Flow for Large LV Networks with ADMM
Robert Steven, Oleksiy V. Klymenko, Michael Short
With the addition of large numbers of distributed energy resources (DERs) to distribution networks comes the increasing risk that their operation may violate the safety constraints…
Single-material 4D-printed shape-morphing structures via spatially patterned strain trapping
S M Asif Iqbal, Hang Zhang, Lin Yang +3
A single-step, single-material 4D printing method is developed for programmable structures featuring spatially patterned strain trapping for one-way actuation. This approach enable…
Smoothed Boundary Method Framework for Electrochemical Simulation of Li-ion Battery Cathode with Complex Microstructure: Model, Formulation and Parameterization
Hui-Chia Yu, Bernardo Orvananos, Scott Cronin +3
Rechargeable battery electrodes have highly complex microstructures, consisting of nonuniform electrode particles, tortuous electrolyte channels, and irregular particle-electrolyte…
Characterization of CMOS SPADs for future RICH Detectors
R. Dolenec, H. K. Yildirim, G. V. Tran +12
In the planned or considered upgrades of LHCb, ALICE and Belle II experiments, the Ring imaging Cherenkov (RICH) detectors will have to be improved in order to function at increase…
Cavity-altered superconductivity
Itai Keren, Tatiana A. Webb, Shuai Zhang +30
Is it feasible to alter the ground state properties of a material by engineering its electromagnetic environment? Inspired by theoretical predictions, experimental realizations of…
Quantum Monte Carlo Investigation of the H-transfer Reaction of Criegee Intermediate CH3CHOO: A Benchmark Calculation
Zhiping Wang, Yuxiang Bu
We perform the fixed-node diffuse Monte Carlo (FN DMC) calculations to determine the barrier height and reaction energy of a critical reaction, the H-transfer reaction from syn-CH3…
Eshelby-twisted 3D moire superlattices
Zhigang Song, Xiaotian Sun, Lin-Wang Wang
Twisted bilayers of van der Waals materials have recently attracted great attention due to their tunable strongly correlated phenomena. Here, we investigate the chirality-specific…
The raman signal of a hindered rotor
Peter I. C. Cooke, Ioan B. Magdǎu, Miriam Peña-Alvarez +6
We present a method for calculation of Raman modes of the quantum solid phase I solid hydrogen and deuterium. We use the mean-field assumption that the quantised excitations are lo…
Enhanced contact angle hysteresis of salt aqueous solution on graphite surface by a tiny amount of cation
Haijun Yang, Yangjie Wang, Yingying Huang +4
We experimentally observed the enhanced contact angle hysteresis (CAH) of dilute aqueous salt solution on graphite surface, i.e., 40.6, 34.6, and 27.8, for…