Charge Dependence of Temperature-Driven Phase Transitions of Molecular Nanoclusters: Molecular Dynamics Simulation

Phase transitions (liquid-solid, solid-solid) triggered by temperature changes are studied in free nanosized clusters of TeF_6 (SF_6) with different negative charges assigned to the fluorine atoms. Molecular dynamics simulations at constant energy show that the charge increase from q_F=0.1 e to q_F=0.25 e shifts the melting temperature towards higher values and some of the metastable solid states disappear. The increased repulsive interaction maintains the order in molecular systems at higher temperatures.Comment: 4 pages, 8 figures; presented at the conference on computational physics, Aachen (2001) accepted for publication in Comp.Phys.Com

In-medium Yang-Mills equations: a derivation and canonical quantization

The equations for Yang-Mills field in a medium are derived in a linear approximation with respect to the gauge coupling parameter and the external field. The obtained equations closely resemble the macroscopic Maxwell equations. A canonical quantization is performed for a family of Fermi-like gauges in the case of constant and diagonal (in the group indices) tensors of electric permittivity and magnetic permeability. The physical subspace is defined and the gauge field propagator is evaluated for a particular choice of the gauge. The propagator is applied for evaluation of the cross-section of ellastic quark scattering in the Born approximation. Possible applications to Cherenkov-type gluon radiation are commented briefly.Comment: 27 pages, references added, version extended with emphasis on non-Abelian gauge group impact on medium characteristics. To appear in J. Phys.

Ballistic nanofriction

Sliding parts in nanosystems such as Nano ElectroMechanical Systems (NEMS) and nanomotors, increasingly involve large speeds, and rotations as well as translations of the moving surfaces; yet, the physics of high speed nanoscale friction is so far unexplored. Here, by simulating the motion of drifting and of kicked Au clusters on graphite - a workhorse system of experimental relevance -- we demonstrate and characterize a novel "ballistic" friction regime at high speed, separate from drift at low speed. The temperature dependence of the cluster slip distance and time, measuring friction, is opposite in these two regimes, consistent with theory. Crucial to both regimes is the interplay of rotations and translations, shown to be correlated in slow drift but anticorrelated in fast sliding. Despite these differences, we find the velocity dependence of ballistic friction to be, like drift, viscous

ISLES 2016 and 2017-Benchmarking ischemic stroke lesion outcome prediction based on multispectral MRI

Performance of models highly depend not only on the used algorithm but also the data set it was applied to. This makes the comparison of newly developed tools to previously published approaches difficult. Either researchers need to implement others' algorithms first, to establish an adequate benchmark on their data, or a direct comparison of new and old techniques is infeasible. The Ischemic Stroke Lesion Segmentation (ISLES) challenge, which has ran now consecutively for 3 years, aims to address this problem of comparability. ISLES 2016 and 2017 focused on lesion outcome prediction after ischemic stroke: By providing a uniformly pre-processed data set, researchers from all over the world could apply their algorithm directly. A total of nine teams participated in ISLES 2015, and 15 teams participated in ISLES 2016. Their performance was evaluated in a fair and transparent way to identify the state-of-the-art among all submissions. Top ranked teams almost always employed deep learning tools, which were predominately convolutional neural networks (CNNs). Despite the great efforts, lesion outcome prediction persists challenging. The annotated data set remains publicly available and new approaches can be compared directly via the online evaluation system, serving as a continuing benchmark (www.isles-challenge.org).Fundacao para a Ciencia e Tecnologia (FCT), Portugal (scholarship number PD/BD/113968/2015). FCT with the UID/EEA/04436/2013, by FEDER funds through COMPETE 2020, POCI-01-0145-FEDER-006941. NIH Blueprint for Neuroscience Research (T90DA022759/R90DA023427) and the National Institute of Biomedical Imaging and Bioengineering (NIBIB) of the National Institutes of Health under award number 5T32EB1680. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. PAC-PRECISE-LISBOA-01-0145-FEDER-016394. FEDER-POR Lisboa 2020-Programa Operacional Regional de Lisboa PORTUGAL 2020 and Fundacao para a Ciencia e a Tecnologia. GPU computing resources provided by the MGH and BWH Center for Clinical Data Science Graduate School for Computing in Medicine and Life Sciences funded by Germany's Excellence Initiative [DFG GSC 235/2]. National Research National Research Foundation of Korea (NRF) MSIT, NRF-2016R1C1B1012002, MSIT, No. 2014R1A4A1007895, NRF-2017R1A2B4008956 Swiss National Science Foundation-DACH 320030L_163363

Computer Physics Communications 147 (2002) 238--241

Phase transitions (liquid--solid, solid--solid) triggered by temperature changes are studied in free nanosized clusters of TeF 6 (SF 6 ) with different negative charges assigned to the fluorine atoms. Molecular dynamics simulations at constant energy show that the charge increase from q F 0.1e to q F 0.25e shifts the melting temperature towards higher values and some of the metastable solid states disappear. The increased repulsive interaction maintains the order in molecular systems at higher temperatures. 2002 Elsevier Science B.V. All rights reserved

Model predictions and experimental characterization of Co-Pt alloy clusters

info:eu-repo/semantics/publishe

Lubricity of gold nanocrystals on graphene measured using quartz crystal microbalance

In order to test recently predicted ballistic nanofriction (ultra-low drag and enhanced lubricity) of gold nanocrystals on graphite at high surface speeds, we use the quartz microbalance technique to measure the impact of deposition of gold nanocrystals on graphene. We analyze our measurements of changes in frequency and dissipation induced by nanocrystals using a framework developed for friction of adatoms on various surfaces. We find the lubricity of gold nanocrystals on graphene to be even higher than that predicted for the ballistic nanofriction, confirming the enhanced lubricity predicted at high surface speeds. Our complementary molecular dynamics simulations indicate that such high lubricity is due to the interaction strength between gold nanocrystals and graphene being lower than previously assumed for gold nanocrystals and graphite