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Although the immobilization of oligonucleotides (nucleic acid) on mineral surfaces is at the basis of different biotechnological applications, an atomistic understanding of the interaction of the nucleic acid components with the titanium…

Chemical Physics · Physics 2021-11-17 Federico A. Soria , Cristiana Di Valentin

Understanding the molecular and electronic structure of electrolytes at interfaces requires an analysis of the interactions between the electrode surface, the ions, and the solvent environment on equal footing. Here, we tackle this…

Mesoscale and Nanoscale Physics · Physics 2023-03-16 Christopher Penschke , John Thomas , Cord Bertram , Angelos Michaelides , Karina Morgenstern , Peter Saalfrank , Uwe Bovensiepen

To predict the radiative forcing of clouds it is necessary to know the rate with which ice homogeneously nucleates in supercooled water. Such rate is often measured in drops to avoid the presence of impurities. At large supercooling small…

Soft Condensed Matter · Physics 2020-03-06 Jorge R. Espinosa , Carlos Vega , Eduardo Sanz

Understanding the phases of water ice that were present in the solar nebula has implications for understanding cometary and planetary compositions as well as internal evolution of these bodies. Here we show that amorphous ice formed more…

Earth and Planetary Astrophysics · Physics 2015-06-18 Fred J. Ciesla

Hydroxylamine (NH2OH) is one of the potential precursors of complex pre-biotic species in space. Here we present a detailed experimental study of hydroxylamine formation through nitric oxide (NO) surface hydrogenation for astronomically…

Astrophysics of Galaxies · Physics 2017-05-26 Gleb Fedoseev , Sergio Ioppolo , Thanja Lamberts , Junfeng Zhen , Herma M. Cuppen , Harold Linnartz

We present theory and simulations which allow us to quantitatively calculate the amount of surface adsorption excess of charged nanoparticles onto a charged surface. The theory is very accurate for weakly charged nanoparticles and can be…

Soft Condensed Matter · Physics 2018-01-24 Alexandre P. dos Santos , Amin Bakhshandeh , Alexandre Diehl , Yan Levin

Angle-resolved photoemission spectroscopy and Auger electron spectroscopy have been applied to study the intercalation process of silver underneath a monolayer of graphite (MG) on Ni(111). The room-temperature deposition of silver on top of…

Materials Science · Physics 2007-05-23 Yu. S. Dedkov , M. Poygin , D. Vyalikh , A. Starodubov , A. M. Shikin , V. K. Adamchuk

Salt bridges are known to be important for the stability of protein conformation, but up to now it has been difficult to study their geometry in solution. Here we characterize the spatial structure of a model salt bridge between guanidinium…

Chemical Physics · Physics 2014-10-15 Adriana Huerta-Viga , Sérgio R. Domingos , Saeed Amirjalayer , Sander Woutersen

Europa's surface composition and evidence for cryovolcanic activity can provide insight into the properties and composition of the subsurface ocean, allowing the evaluation of its potential habitability. One promising avenue for revealing…

Earth and Planetary Astrophysics · Physics 2022-02-16 Jodi R. Berdis , James R. Murphy , Nancy J. Chanover

The formation and growth of ice particles, particularly on the surfaces of spherical water droplets, bear profound implications for localized weather systems and global climate. Herein, we develop a theoretical framework for ice nucleation…

Materials Science · Physics 2026-03-03 Yang Li , Prachi Parashar , Iver Brevik , Clas Persson , I. Malyi , Mathias Boström

We propose a new model for the nature of the nucleation of solid from the superfluid phases of $^4$He and $^3$He. Unique to the superfluid phases the solid nucleation involves an extremely fast solidification front. This results in a local…

Condensed Matter · Physics 2007-05-23 Nir Gov

We propose that extended orientational correlations can appear at the surface of supercooled heavy noble liquid metals, due to the same compressive forces that cause reconstruction of their crystal surfaces. Simulations for liquid Au show a…

Materials Science · Physics 2009-10-30 Franck Celestini , Furio Ercolessi , Erio Tosatti

We present a study of the solvation properties of model aqueous electrode interfaces. The exposed electrodes we study strongly bind water and have closed packed crystalline surfaces, which template an ordered water adlayer adjacent to the…

Statistical Mechanics · Physics 2015-06-11 David T. Limmer , Adam P. Willard , Paul A. Madden , David Chandler

We show that the ion beam induced incompressible amorphous solid flow in terms of advection transport mechanism leads to the erosion and deposition of atoms at the amorphous/crystalline (a/c) interface resulting in the formation of pattern…

Materials Science · Physics 2014-02-25 Tanuj Kumar , D. C. Agarwal , S. A. Khan , N. P. Lalla , D. Kanjilal

We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained…

Chemical Physics · Physics 2018-02-14 Hao Jiang , Amir Haji-Akbari , Pablo G. Debenedetti , Athanassios Z. Panagiotopoulos

Molecular simulations employing empiric force fields have provided valuable knowledge about the ice growth process in the last decade. The development of novel computational techniques allows us to study this process, which requires long…

Soft Condensed Matter · Physics 2023-06-07 Pablo Montero de Hijes , Salvatore Romano , Alexander Gorfer , Christoph Dellago

The report studies transformation of a Ge granular film deposited at room temperature on the Si(001) surface to the Ge/Si(001) heterostructure as a result of rapid heating and annealing at 600C. As a result of the short-term annealing at…

Materials Science · Physics 2016-03-10 M. S. Storozhevykh , L. V. Arapkina , V. A. Yuryev

Complex fission phenomena are studied in a unified way. Very general reflection asymmetrical equilibrium (saddle point) nuclear shapes are obtained by solving an integro-differential equation without being necessary to specify a certain…

Nuclear Theory · Physics 2009-11-10 D. N. Poenaru , R. A. Gherghescu , W. Greiner

The nucleation of crystals from the liquid melt is often characterized by a competition between different crystalline structures or polymorphs, and can result in nuclei with heterogeneous compositions. These mixed-phase nuclei can display…

Soft Condensed Matter · Physics 2021-08-26 Fabio Leoni , John Russo

The surface formation of NH3 and its deuterated isotopologues - NH2D, NHD2, and ND3 - is investigated at low temperatures through the simultaneous addition of hydrogen and deuterium atoms to nitrogen atoms in CO-rich interstellar ice…

Astrophysics of Galaxies · Physics 2017-05-26 Gleb Fedoseev , Sergio Ioppolo , Harold Linnartz
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