Graphene: from materials science to particle physics

Since its discovery in 2004, graphene, a two-dimensional hexagonal carbon allotrope, has generated great interest and spurred research activity from materials science to particle physics and vice versa. In particular, graphene has been found to exhibit outstanding electronic and mechanical properties, as well as an unusual low-energy spectrum of Dirac quasiparticles giving rise to a fractional quantum Hall effect when freely suspended and immersed in a magnetic field. One of the most intriguing puzzles of graphene involves the low-temperature conductivity at zero density, a central issue in the design of graphene-based nanoelectronic components. While suspended graphene experiments have shown a trend reminiscent of semiconductors, with rising resistivity at low temperatures, most theories predict a constant or even decreasing resistivity. However, lattice field theory calculations have revealed that suspended graphene is at or near the critical coupling for excitonic gap formation due to strong Coulomb interactions, which suggests a simple and straightforward explanation for the experimental data. In this contribution we review the current status of the field with emphasis on the issue of gap formation, and outline recent progress and future points of contact between condensed matter physics and Lattice QCD.Comment: 14 pages, 6 figures. Plenary talk given at the XXVIII International Symposium on Lattice Field Theory (Lattice 2010), June 14-19, 2010, Villasimius, Sardinia, Ital

Development of user guidelines for ECAS display design. Volume 2: Tasks 9 and 10

Lay-oriented speakers aids, articles, a booklet, and a press kit were developed to inform the press and the general public with background information on the space transportation system, Spacelab, and Spacelab 1 experiments. Educational materials relating to solar-terrestrial physics and its potential benefits to mankind were also written. A basic network for distributing audiovisual and printed materials to regional secondary schools and universities was developed. Suggested scripts to be used with visual aids describing materials science and technology and astronomy and solar physics are presented

Microgravity: A Teacher's Guide With Activities in Science, Mathematics, and Technology

The purpose of this curriculum supplement guide is to define and explain microgravity and show how microgravity can help us learn about the phenomena of our world. The front section of the guide is designed to provide teachers of science, mathematics, and technology at many levels with a foundation in microgravity science and applications. It begins with background information for the teacher on what microgravity is and how it is created. This is followed with information on the domains of microgravity science research; biotechnology, combustion science, fluid physics, fundamental physics, materials science, and microgravity research geared toward exploration. The background section concludes with a history of microgravity research and the expectations microgravity scientists have for research on the International Space Station. Finally, the guide concludes with a suggested reading list, NASA educational resources including electronic resources, and an evaluation questionnaire

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundaments for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.Comment: 95 pages, 48 figure

Research on the physics of solid materials semiannual status report no. 12, 1 nov. 1964 - 30 apr. 1965

Solid state physics, physical metallurgy, and chemistry of solids - development of advanced crystal growing facilities for materials science and solid state physics group

Electronic properties and applications of MXenes: a theoretical review

Recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional transition metal carbides and nitrides, so called MXenes, has brought new opportunity to materials science and technology. This review highlights the computational attempts that have been made to understand the physics and chemistry of this very promising family of advanced two-dimensional materials, and to exploit their novel and exceptional properties for electronic and energy harvesting applications.Comment: 12 figure

NMscatt: a program for calculating inelastic scattering from large biomolecular systems using classical force-field simulations

Computational tools for normal mode analysis, which are widely used in physics and materials science problems, are designed here in a single package called NMscatt (Normal Modes & scattering) that allows arbitrarily large systems to be handled. The package allows inelastic neutron and X-ray scattering observables to be calculated, allowing comparison with experimental data produced at large scale facilities. Various simplification schemes are presented for analysing displacement vectors, which are otherwise too complicated to understand in very large systems.Comment: 13 pages, 5 figures, preprint submitted to Computer Physics Communication

Density Functional Theory of Epitaxial Growth of Metals

This chapter starts with a summary of the atomistic processes that occur during epitaxy. We then introduce density functional theory (DFT) and describe its implementation into state-of-the-art computations of complex processes in condensed matter physics and materials science. In particular we discuss how DFT can be used to calculate parameters of microscopic processes such as adsorption and surface diffusion, and how they can be used to study the macroscopic time and length scales of realistic growth conditions. This meso- and macroscopic regime is described by the ab initio kinetic Monte Carlo approach. We discuss several specific theoretical studies that highlight the importance of the different diffusion mechanisms at step edges, the role of surfactants, and the influence of surface stress. The presented results are for specific materials (namely silver and aluminum), but they are explained in simple physical pictures suggesting that they also hold for other systems.Comment: 55 pages, 20 figures, to be published "Growth of Ultrathin Epitaxial Layers", The Chemical Physics of Soild Surfaces, Vol. 8, Eds D. A. King and D. P. Woodruff (Elsevier Science, Amsterdam, 1997

IMP Science Gateway: from the Portal to the Hub of Virtual Experimental Labs in Materials Science

"Science gateway" (SG) ideology means a user-friendly intuitive interface between scientists (or scientific communities) and different software components + various distributed computing infrastructures (DCIs) (like grids, clouds, clusters), where researchers can focus on their scientific goals and less on peculiarities of software/DCI. "IMP Science Gateway Portal" (http://scigate.imp.kiev.ua) for complex workflow management and integration of distributed computing resources (like clusters, service grids, desktop grids, clouds) is presented. It is created on the basis of WS-PGRADE and gUSE technologies, where WS-PGRADE is designed for science workflow operation and gUSE - for smooth integration of available resources for parallel and distributed computing in various heterogeneous distributed computing infrastructures (DCI). The typical scientific workflows with possible scenarios of its preparation and usage are presented. Several typical use cases for these science applications (scientific workflows) are considered for molecular dynamics (MD) simulations of complex behavior of various nanostructures (nanoindentation of graphene layers, defect system relaxation in metal nanocrystals, thermal stability of boron nitride nanotubes, etc.). The user experience is analyzed in the context of its practical applications for MD simulations in materials science, physics and nanotechnologies with available heterogeneous DCIs. In conclusion, the "science gateway" approach - workflow manager (like WS-PGRADE) + DCI resources manager (like gUSE)- gives opportunity to use the SG portal (like "IMP Science Gateway Portal") in a very promising way, namely, as a hub of various virtual experimental labs (different software components + various requirements to resources) in the context of its practical MD applications in materials science, physics, chemistry, biology, and nanotechnologies.Comment: 6 pages, 5 figures, 3 tables; 6th International Workshop on Science Gateways, IWSG-2014 (Dublin, Ireland, 3-5 June, 2014). arXiv admin note: substantial text overlap with arXiv:1404.545