Phase-field simulation of micropores constrained by a solid network

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Finding proper collective variables for complex systems and processes is one of the most challenging tasks in simulations, which limits the interpretation of experimental and simulated data and the application of enhanced sampling techniques. Here, we prop ...

Sorption of mercury (Hg) in soils is suggested to be predominantly associated with organic matter (OM). However, there is a growing collection of research that suggests that clay minerals and oxides are also important solid phases for the sorption of solu ...

The activity of subsurface microorganisms can be harnessed for engineering projects. For instance, the Swiss radioactive waste repository design can take advantage of indigenous microorganisms to tackle the issue of a hydrogen gas (H2) phase pressure build ...

The understanding of mixed ionic-electronic conductivity in hybrid perovskites has enabled major advances in the development of optoelectronic devices based on this class of materials. While recent investigations revealed the potential of using dimensional ...

Macrocycles provide an attractive modality for drug development but the identification of ligands to targets of interest is hindered by the lack of large macrocyclic compound libraries for high-throughput screening. A strategy to efficiently synthesize lar ...

We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...

The nonlinear decay of oscillations of a liquid column in a U-shaped tube is investigated within the theoretical framework of the projection method formalized by Bongarzone et al. [Chaos 31, 123124 (2021)]. Starting from the full hydrodynamic system supple ...

Stabilizing liquid-liquid interfaces, whether between miscible or immiscible liquids, is crucial for a wide range of applications, including energy storage, microreactors, and biomimetic structures. In this study, a versatile approach for stabilizing the w ...

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

Anaerobic fermentation is a widely used technology for resource recovery from municipal sludge (e.g., primary sludge). Micro-aeration is an emerging strategy which can be incorporated into this technology. However, the effect of micro-aeration on the anaer ...

Plantar pressure plays a crucial role in the pathogenesis of foot ulcers among patients with diabetes and peripheral polyneuropathy. Pressure relief is a key requirement for both the prevention and treatment of plantar ulcers. Conventional medical practice ...

Cavitation bubbles, extensively investigated in fluid mechanics, present enduring challenges in hydraulic machinery, while holding considerable potential for practical applications in biomedicine and sonochemistry. Despite more than a century of research, ...

The complex mechanics of porous and granular media play a significant role in various industrial processes and natural phenomena. As an example, understanding the mechanics of how failure occurs, localizes and propagates in porous brittle solids under vari ...

Lignin hydrogenolysis is a key step in the sustainable production of renewable bio-based chemicals and fuels. Heterogeneous metal catalysts have led to high yields but they rapidly deactivate, notably due to nanoparticle sintering and carbonaceous deposit ...

The biological reduction of soluble U(VI) complexes to form immobile U(IV) species has been proposed to remediate contaminated sites. It is well established that multiheme c-type cytochromes (MHCs) are key mediators of electron transfer to aqueous phase U( ...

We examine the influence of surface charge on the percolation, gel-point and phase behavior of cellulose nanocrystal (CNC) suspensions in relation to their nonlinear rheological material response. Desulfation decreases CNC surface charge density which lead ...

The geometry of biomolecules isolated in the gas phaseusuallydiffers substantially from their native structures in aqueous solution,which are the only ones truly relevant to life science. To connectthe high resolution of cold ion spectroscopy that can be a ...

Many natural and industrial processes involve fluid flow at a three phase interface between liquid, solid and gas. When the liquid is forced to move rapidly over the solid surface, the physical mechanisms governing contact line motions are multi-phase and ...

In the third study, the order-disorder phase transition of single-crystal C60 is studied using time-resolved electron microscopy. Solid C60 undergoes a first-order phase transition upon heating to 260 K. This is a structural transition from the low-tempera ...

Aminoacids and peptides generally exhibit zwitterionic forms withsalt bridge (SB) structures in solution but charge-solvated (CS) motifsin the gas phase. Here, we report a study of non-covalent complexesof the protonated amino acid arginine, ArgH(+)(H2O)( ...

Phase-field simulation of micropores constrained by a solid network

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Inherent Structural Descriptors Via Machine Learning

Organic matters, but inorganic matters too: column examination of elevated mercury sorption on low organic matter aquifer material using concentrations and stable isotope ratios

Microbial hydrogen sinks in the sand-bentonite backfill material for the deep geological disposal of radioactive waste

Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers

Methods for high-throughput synthesis and screening of peptide libraries

Frustrated magnets in the limit of infinite dimensions: Dynamics and disorder-free glass transition

Stick-slip-to-stick transition of liquid oscillations in a U-shaped tube

A Versatile Approach to Stabilize Liquid-Liquid Interfaces using Surfactant Self-Assembly

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Non-targeted facilitation of primary sludge anaerobic fermentation by micro-aeration and the simultaneous nutrients transformations

A Tunable Self-Offloading Module for Plantar Pressure Regulation in Diabetic Patients

The influence of the gas on the dynamics of cavitation bubbles

Modeling the mechanics and rheology of porous and granular media: an elastoplastic continuum approach

Sinter-Resistant Nickel Catalyst for Lignin Hydrogenolysis Achieved by Liquid Phase Atomic Layer Deposition of Alumina

Mechanism of Reduction of Aqueous U(V)-dpaea and Solid-Phase U(VI)-dpaea Complexes: The Role of Multiheme c-Type Cytochromes

Percolation and phase behavior in cellulose nanocrystal suspensions from nonlinear rheological analysis

Revealing the Structure of Tryptophan in Microhydrated Complexes by Cold Ion Spectroscopy

Wetting Dynamics Beneath an Impacting Droplet

Direct Observation of the Phase Transition in C60 Fullerene

Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling