Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification

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This thesis addresses two urgent challenges in the pursuit of cleaner energy and environmental sustainability. First, it advances the quantification of problematic trace compounds in biogas derived from waste streams. Second, it refines rapid characterizat ...

In this work we dive into key questions regarding the wetting of a nanoscale droplet which provides fundamental understanding of Vapor-Liquid-Solid growth mode of nanowires. This understanding is important to performreproducible NW fabrication and allow th ...

Heterogeneous ice nucleation is a ubiquitous process in the natural and built environment. Deposition ice nucleation, i.e. heterogeneous ice nucleation that - according to the traditional view - occurs in a subsaturated water vapor environment and in the a ...

Dislocation phenomena in crystal materials are fundamental to understanding mechanical behaviors such as plasticity and strengthening. This study investigates the atomistic mechanisms of dislocation phenomena in hexagonal close-packed (HCP) magnesium (Mg) ...

Drops are omnipresent in our daily life for example in the form of rain drops or as oil drops in a salad dressing. On a technological basis, drops can be used to conduct chemical or biological reactions. These drops often serve as templates to produce mate ...

We present a comprehensive review of methods and applications of molecular simulations of interfacial systems. We give a detailed overview of the main techniques and major challenges in the following aspects of solid and fluid surfaces: adsorption at solid ...

Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...

The nature of the liquid-solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal growth. Most of the established models for crystal growth are based on macroscopic t ...

In 1952, Frank (Proc R Soc Lond Ser-Math Phys Sci 215:43-46, 1952) already postulated that Icosahedral Short Range Order (ISRO) of atoms in the liquid could possibly explain the large nucleation undercoolings measured in metallic alloys by Turnbull and Fis ...

The frequent contact people have with liquids containing pathogenic microorganisms provides opportunities for disease transmission. In this work, we quantified the transfer of bacteria—using E. coli as a model- from liquid to skin, estimated liquid retenti ...

We mine from the literature experimental data on the CO2 electrochemical reduction selectivity of Cu single crystal surfaces. We then probe the accuracy of a machine learning model trained to predict faradaic efficiencies for 11 CO2 reduction reaction prod ...

Predictive modelling and quantitative understanding of nucleation is essential for predicting phase transformation processes in nature and precisely controlling material synthesis and processing. Atomistic modeling is a powerful tool for capturing the dyna ...

Heterogeneous ice nucleation impacts the hydrological cycle and climate through affecting cloud microphysical state and radiative properties. Despite decades of research, a quantitative description and understanding of heterogeneous ice nucleation remains ...

Precipitation is a process wherein a solid phase forms from a solution. Precipitation is at the heart of many industries producing pharmaceuticals, catalysts, ceramics, and nanoparticles. In addition to being a material synthesis route, precipitation has i ...

In the ongoing intense quest to increase the performance of perovskite solar cells, optimizing the morphology of perovskite material has become imperative to achieve high power conversion efficiencies. Despite the fact that nucleation plays a key role in c ...

The microscopic mechanism of heavy band formation, relevant for unconventional superconductivity in CeCoIn5 and other Ce-based heavy fermion materials, depends strongly on the efficiency with which f electrons are delocalized from the rare earth sites and ...

A long-standing goal of science is to accurately simulate large molecular systems using quantum mechanics. The poor scaling of current quantum chemistry algorithms on classical computers, however, imposes an effective limit of about a few dozen atoms on tr ...

Estimating the homogeneous ice nucleation rate from undercooled liquid water is crucial for understanding many important physical phenomena and technological applications, and challenging for both experiments and theory. From a theoretical point of view, d ...

Halide perovskites are compelling candidates for the next generation of clean-energy-harvesting photovoltaic technologies owing to an unprecedented increase in power conversion efficiency and their low cost, facile fabrication and outstanding semiconductor ...

The formation pathway of biominerals archetypes, namely calcium carbonate (CaC) and calcium phosphates (CaPs), was investigated using a multidisciplinary approach. The time-resolved analytical data were collected using a controlled-composition method and i ...

Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification

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