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Recent studies of the hydration of micro- and nanoscale solutes have demonstrated a strong {\it coupling} between hydrophobic, dispersion and electrostatic contributions, a fact not accounted for in current implicit solvent models. We…

Chemical Physics · Physics 2009-11-11 J. Dzubiella , J. M. J. Swanson , J. A. McCammon

The photophysics and photochemistry associated with irradiating UV light in liquid water is central to numerous physical, chemical and biological processes. One of the key events involved in this process is the generation of the hydrated…

Within this paper, we introduce partially and fully decoupled time stepping schemes for linear thermo-poroelasticity. This means that the mechanics, heat, and flow equations can be solved sequentially. We provide sufficient conditions on…

Numerical Analysis · Mathematics 2026-03-17 R. Altmann , R. Maier , J. Schmeck

Water evaporation is critically important for hydrogels in open-air applications, but theoretically modeling is difficult due to the complicated intermolecular interactions and sustained deformation. In this work, we construct a simplified…

Soft Condensed Matter · Physics 2025-05-28 Zehua Yu , Yongshun Ren , Kang Liu

Aerobreakup of fluid droplets under the influence of impulsively generated high-speed gas flow using an open-ended shock tube is studied using experiments and numerical simulations. Breakup of mm-sized droplets at high Weber number was…

Fluid Dynamics · Physics 2022-06-24 James Leung , Mohana Gurunadhan , Shyam Menon

This paper proposes novel decoupled finite element methods for a fourth-order exterior differential equation. Based on differential complexes and the Helmholtz decomposition, the fourth-order exterior differential equation is decomposed…

Numerical Analysis · Mathematics 2025-02-20 Xuewei Cui , Xuehai Huang

Phase separating systems that are maintained away from thermodynamic equilibrium via molecular processes represent a class of active systems, which we call active emulsions. These systems are driven by external energy input for example…

Soft Condensed Matter · Physics 2019-06-07 Christoph A. Weber , David Zwicker , Frank Jülicher , Chiu Fan Lee

In response to the global shift towards renewable energy resources, the production of green hydrogen through electrolysis is emerging as a promising solution. Modular electrolysis plants, designed for flexibility and scalability, offer a…

Systems and Control · Electrical Eng. & Systems 2024-06-11 Vincent Henkel , Maximilian Kilthau , Felix Gehlhoff , Lukas Wagner , Alexander Fay

The self-organization of proteins into enriched compartments and the formation of complex patterns are crucial processes for life on the cellular level. Liquid-liquid phase separation is one mechanism for forming such enriched compartments.…

Soft Condensed Matter · Physics 2025-04-07 Antonia Winter , Yuhao Liu , Alexander Ziepke , George Dadunashvili , Erwin Frey

The photocatalytic water-splitting process is thermodynamically challenging and requires catalysts with suitable band structures, as well as the presence of supporting cocatalysts. By considering the unique charge carrier mobility in…

Chemical Physics · Physics 2025-10-20 Ho Truong Nam Hai , Makoto Arita , Kaveh Edalati

BaCe$_{0.25}$Mn$_{0.75}$O$_{3-\delta}$ (BCM), a non-stoichiometric oxide closely resembling a perovskite crystal structure, has recently emerged as a prospective contender for application in renewable energy harvesting by solar…

We present a hydro-geomechanical model for subsurface methane hydrate systems. Our model considers kinetic hydrate phase change and non-isothermal, multi-phase, multi-component flow in elastically deforming soils. The model accounts for the…

Numerical Analysis · Mathematics 2015-08-07 Shubhangi Gupta , Rainer Helmig , Barbara Wohlmuth

Fluid mixtures, such as the cellular cytoplasm and synthetic DNA nanostars, can spontaneously compartmentalize into many coexisting phases through liquid-liquid phase separation. Despite the diversity of fluid structures that emerge from…

Fluid Dynamics · Physics 2026-03-05 Michael Rennick , Xitong Zhang , Halim Kusumaatmaja

The application of process-based and data-driven hydrological models is crucial in modern hydrological research, especially for predicting key water cycle variables such as runoff, evapotranspiration (ET), and soil moisture. These models…

Geophysics · Physics 2024-08-14 Haiyang Shi

Plasma processes are an innovative approach for the decomposition of CO2 in O radicals and CO as a valuable carbon source. In this experimental work, a tubular dielectric barrier discharge operating at atmospheric pressure has been used to…

Instrumentation and Detectors · Physics 2016-05-17 Alp Ozkan , Thierry Dufour , Tiago Silva , Nikolay Britun , Rony Snyders , Annemie Bogaerts , François Reniers

We investigate the effectiveness of different dynamical decoupling protocols for storage of a single qubit in the presence of a purely dephasing bosonic bath, with emphasis on comparing quantum coherence preservation under uniform vs.…

Quantum Physics · Physics 2015-05-14 Thomas E. Hodgson , Lorenza Viola , Irene D'Amico

The radiolysis of water is an important study in microdosimetry, one of the resulting and important molecules in this study is the $OH^-$. Theoretical quantum mechanics calculations are used to obtain the differential cross section for the…

Chemical Physics · Physics 2023-09-28 C. H. Zepeda Fernández , U. Reyes Ortega , F. Magaña Ibañez , E. Moreno Barbosa

Energy dissipation in water is very fast and more efficient than in many other liquids. This behavior is commonly attributed to the intermolecular interactions associated with hydrogen bonding. Here, we investigate the dynamic energy flow…

Resilience to noise and to decoherence processes is an important ingredient for the implementation of quantum information processing, and quantum technologies. To this end, techniques such as pulsed and continuous dynamical decoupling have…

Quantum Physics · Physics 2016-12-02 Itsik Cohen , Nati Aharon , Alex Retzker

A complex system with cluttered observations may be a coupled mixture of multiple simple sub-systems corresponding to latent entities. Such sub-systems may hold distinct dynamics in the continuous-time domain; therein, complicated…

Machine Learning · Computer Science 2025-02-17 Zihan Zhou , Tianshu Yu