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We have studied thermodynamics of the Mg-B system with the modeling technique CALPHAD using a computerized optimization procedure. Temperature-composition, pressure-composition, and pressure-temperature phase diagrams under different…

Materials Science · Physics 2009-11-07 Zi-Kui Liu , D. G. Schlom , Qi Li , X. X. Xi

Ultracold molecular gases are promising as an avenue to rich many-body physics, quantum chemistry, quantum information, and precision measurements. This richness, which flows from the complex internal structure of molecules, makes the…

Atomic Physics · Physics 2015-06-18 A. M. Jayich , A. C. Vutha , M. T. Hummon , J. V. Porto , W. C. Campbell

We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 G. Cuniberti , R. Gutierrez , G. Fagas , F. Grossmann , K. Richter , R. Schmidt

Hydrogels are attractive and versatile gel-based structures consisting of three-dimensional networks of hydrophilic polymers with unique properties that can retain a large amount of water and be tailor-designed according to specific…

Tight-binding (TB) molecular dynamics (MD) has emerged as a powerful method for investigating the atomic-scale structure of materials --- in particular the interplay between structural and electronic properties --- bridging the gap between…

Materials Science · Physics 2007-05-23 Laurent J Lewis , Normand Mousseau

Molecular electronic devices are the upmost destiny of the miniaturization trend of electronic components. Although not yet reproducible on large scale, molecular devices are since recently subject of intense studies both experimentally and…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 G. Cuniberti , F. Grossmann , R. Gutierrez

We investigate the possibility of optical current control through single molecules which are weakly coupled to leads. A master equation approach for the transport through a molecule is combined with a Floquet theory for the time-dependent…

Chemical Physics · Physics 2016-09-08 Jörg Lehmann , Sébastien Camalet , Sigmund Kohler , Peter Hänggi

The need to reduce the environmental impact of inorganic electronic systems is pressing. Although the field of organic electronics provides a potential solution to this issue, research and optimization is still majorly carried out on glass…

Applied Physics · Physics 2024-07-09 Rakesh Rajendran Nair , Laura Teuerle , Jakob Wolansky , Hans Kleemann , Karl Leo

Colloidal suspensions are simple model systems for the study of phase transitions. Video microscopy is capable of directly imaging the structure and dynamics of colloidal suspensions in different phases. Recent results related to…

Soft Condensed Matter · Physics 2007-05-23 Piotr Habdas , Eric R. Weeks

We introduce a simple method of an MgB2 film preparation using sequential electron-beam evaporation of B-Mg two-layer (followed by in-situ annealing) on the NbN buffered Si(100) substrate. The Transmission Electron Microscopy analyses…

To predict flow behavior of entangled polymer melt, we have developed multiscale simulation composed of Lagrangian fluid particle simulation and coarse-grained polymer dynamics simulation. We have introduced a particle deformation in the…

Soft Condensed Matter · Physics 2014-01-31 Takahiro Murashima

The design and fabrication of materials that exhibit both semiconducting and magnetic properties for spintronics and quantum computing has proven difficult. Important starting points are high-purity thin films as well as fundamental…

Liquid metal batteries (LMBs) were recently proposed as cheap large scale energy storage. Such devices are urgently required for balancing highly fluctuating renewable energy sources. During discharge, intermetallic phases tend to form in…

Applied Physics · Physics 2018-07-26 Norbert Weber , Michael Nimtz , Paolo Personnettaz , Alejandro Salas , Tom Weier

Manufacturing electronic devices by printing techniques with low temperature sintering of nano-size material particles can revolutionize the electronics industry in coming years. The impact of this change to the industry can be significant…

Materials Science · Physics 2007-09-13 Z. Radivojevic , K. Andersson , K. Hashizume , M. Heino , M. Mantysalo , P. Mansikkamaki , Y. Matsuba , N. Terada

A thin film technology compatible with multilayer device fabrication is critical for exploring the potential of the 39-K superconductor magnesium diboride for superconducting electronics. Using a Hybrid Physical-Chemical Vapor Deposition…

Two types of optically manipulated quantum electronic devices are considered: a quantum dot and a finite periodic molecular chain, with the period doubled under resonance optical excitation. The stability of the working regimes of the…

Quantum Physics · Physics 2007-05-23 I. Antoniou , B. Pavlov , A. Yafyasov

This review presents recent results on the physics of electron transport in molecular devices. The review is organized as follows. A brief description of molecular junction (MJ) technology is first given followed by an introduction to the…

Mesoscale and Nanoscale Physics · Physics 2021-11-23 Dominique Vuillaume

Organic electronics is very promising due to the flexibility, modifiability as well as variety of the available organic molecules. Efforts are going on to use organic materials for the realization of memory devices. In this regard resistive…

Applied Physics · Physics 2020-05-05 Bapi Dey , Surajit Sarkar , Hritinava Banik , Syed Arshad Hussain

Starting from the three-dimensional setting, we derive a limit model of a thin magnetoelastic film by means of {\Gamma}-convergence techniques. As magnetization vectors are defined on the elastically deformed configuration, our model…

Analysis of PDEs · Mathematics 2020-08-26 Elisa Davoli , Martin Kružík , Paolo Piovano , Ulisse Stefanelli

Dielectrophoresis can potentially be used as an efficient trapping tool in the fabrication of molecular devices. For nanoscale objects, however, the Brownian motion poses a challenge. We show that the use of carbon nanotube electrodes makes…