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We present a study on the kinetics of oxygen adsorption and desorption from single-wall carbon nanotube (SWNT) and highly oriented pyrolytic graphite (HOPG) samples. Thermal desorption spectra for SWNT samples show a broad desorption…

Materials Science · Physics 2009-11-07 Hendrik Ulbricht , Gunnar Moos , Tobias Hertel

Molecular simulations have provided valuable insight into the microscopic mechanisms underlying homogeneous ice nucleation. While empirical models have been used extensively to study this phenomenon, simulations based on first-principles…

Nanoscale silicate dust particles are the most abundant refractory component observed in the interstellar medium and thought to play a key role in catalysing the formation of complex organic molecules in the star forming regions of space.…

Despite the exponential growth in computing resources and the availability of a myriad of different theoretical water models, an accurate, yet computationally efficient molecular level description of mesoscopic grain growth remains a grand…

Despite the ubiquity of ice, a molecular-resolution image of ice crystallized from liquid water or the resulting defect structure has never been obtained. Here, we report the stabilization and angstrom-resolution electron imaging of ice Ih…

Hydrogen produced from the photocatalytic splitting of water is one of the reliable alternatives to replace the polluting fossil and the radioactive nuclear fuels. Here, we provide unequivocal evidence for the existence of blue- and…

The thermodynamic properties of gases have been understood primarily through phase diagrams of bulk gases. However, observations of gases confined in a nanometer space have posed a challenge to the principles of classical thermodynamics.…

Soft Condensed Matter · Physics 2014-10-31 Ing-Shouh Hwang , Yi-Hsien Lu , Chih-Wen Yang , Chung-Kai Fang , Hsien-Chen Ko

Heterogeneous ice growth exhibits a maximum in freezing rate arising from the competition between kinetics and the thermodynamic driving force between the solid and liquid states. Here, we use molecular dynamics simulations to elucidate the…

Soft Condensed Matter · Physics 2013-12-31 Razvan A. Nistor , Thomas E. Markland , B. J. Berne

It is surprisingly difficult to freeze water. Almost all ice that forms under "mild" conditions (temperatures > -40 degrees Celsius) requires the presence of a nucleating agent - a solid particle that facilitates the freezing process - such…

Statistical Mechanics · Physics 2014-04-25 Stephen J. Cox , Zamaan Raza , Shawn M. Kathmann , Ben Slater , Angelos Michaelides

The growth of homogeneously nucleated droplets in water vapor at the fixed temperatures T=273, 283, 293, 303, 313, 323, 333, 343, 353, 363 and 373 K (the pressure $p=1$ atm.) is investigated on the basis of the coarse-grained molecular…

Soft Condensed Matter · Physics 2012-12-06 Anatolii V. Mokshin , Bulat N. Galimzyanov

Close to the triple point, the surface of ice is covered by a thin liquid layer (so-called quasi-liquid layer) which crucially impacts growth and melting rates. Experimental probes cannot observe the growth processes below this layer, and…

Chemical Physics · Physics 2021-01-22 David N. Sibley , Pablo Llombart , Eva G. Noya , Andrew J. Archer , Luis G. MacDowell

The steady-state homogeneous vapor-to-liquid nucleation and the succeeding liquid droplet growth process are studied for water system by means of the coarse-grained molecular dynamics simulations with the mW-model suggested originally in…

Soft Condensed Matter · Physics 2012-10-03 Anatolii V. Mokshin , Bulat N. Galimzyanov

Polar mesospheric clouds provide clues to physicochemical processes in the mesosphere and lower thermosphere. However, the heterogeneous nucleation and growth processes of water ice under polar mesospheric conditions are poorly understood,…

Earth and Planetary Astrophysics · Physics 2025-07-25 Reo Sato , Kentaro Noguchi , Hiroyuki Koshida , Atsuki Ishibashi , Tetsuya Hama

Crystallization from a supercooled liquid initially proceeds via the formation of a small solid embryo (nucleus), which requires surmounting an activation barrier. This phenomenon is most easily studied by numerical simulation, using…

Soft Condensed Matter · Physics 2018-04-27 Santi Prestipino

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

Surface nanobubbles are stable gaseous phases in liquids that form on solid substrates. While their existence has been confirmed, there are many open questions related to their formation and dissolution processes along with their structures…

Fluid Dynamics · Physics 2022-04-20 Zhizhao Che , Panagiotis E. Theodorakis

Water ice is abundant both astrophysically, for example in molecular clouds, and in planetary systems. The Kuiper belt objects, many satellites of the outer solar system, the nuclei of comets and some planetary rings are all known to be…

Astrophysics · Physics 2009-11-13 Weijun Zheng , David Jewitt , Ralf I. Kaiser

Two different types of experiments were performed. In the first experiment, we studied the low-temperature condensation of vaporized graphite inside bulk liquid helium, while in the second experiment, we studied the condensation of single…

Atomic and Molecular Clusters · Physics 2018-05-07 S. A. Krasnokutski , M. Goulart , E. B. Gordon , A. Ritsch , C. Jäger , M. Rastogi , W. Salvenmoser , Th. Henning , P. Scheier

Most ice in nature forms thanks to impurities which boost the exceedingly low nucleation rate of pure supercooled water. However, the microscopic details of ice nucleation on these substances remain largely unknown. Here, we have unraveled…

Materials Science · Physics 2016-11-23 Gabriele C. Sosso , Tianshu Li , Davide Donadio , Gareth A. Tribello , Angelos Michaelides

The interaction of water with surfaces is crucially important in a wide range of natural and technological settings. In particular, at low temperatures, unveiling the atomistic structure of adsorbed water clusters would provide valuable…

Materials Science · Physics 2024-02-23 F. Priante , N. Oinonen , Y. Tian , D. Guan , C. Xu , S. Cai , P. Liljeroth , Y. Jiang , A. S. Foster