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We use molecular dynamics computer simulations to study the equilibrium properties of the surface of amorphous silica. Two types of geometries are investigated: i) clusters with different diameters (13.5\AA, 19\AA, and 26.5\AA) and ii) a…

Statistical Mechanics · Physics 2009-10-31 Alexandra Roder , Walter Kob , Kurt Binder

The effect of increasing temperature on the structural stability and interactions of two kinds of Al/Zr (Al(1%wtSi)/Zr and Al(Pure)/Zr) multilayer mirrors are investigated. All Al/Zr multilayers annealed from 200^{\circ}C to 500^{\circ}C,…

Materials Science · Physics 2015-06-11 Qi Zhong , Shuang Ma , Zhong Zhang , Runze Qi , Jia Li , Zhanshan Wang , Philippe Jonnard

Due to its exceptional lithium storage capacity silicon is considered as a promising candidate for anode material in lithium-ion batteries (LIBs). In the present work we demonstrate that methods of the soft X-ray emission spectroscopy…

Vanadium silicide (V$_3$Si) is a promising superconductor for integration with silicon-based electronics, however the interfacial growth kinetics have a strong influence on the resulting superconducting properties and are not yet fully…

Focused ion beam (FIB)-scanning electron microscopy (SEM) allowed the characterization of the microstructure of two solid oxide fuel cells prepared at different sintering temperatures. 3D volume reconstruction showed that a relatively low…

Applied Physics · Physics 2023-04-27 C. M. Ruse , L. A. Hume , Y. Wang , T. Pesacreta , X-D. Zhou

The effects of ion beam induced atomic mixing and subsequent thermal treatment in Si/C multilayer structures are investigated by use of the technique of grazing incidence X-ray diffraction (GIXRD) and Raman spectroscopy. The [Si (3.0 nm) /…

Materials Science · Physics 2007-05-23 Ram Prakash , S. Amirthapandian , D. M. Phase , S. K. Deshpande , R. Kesavamoorthy , K. G. M. Nair

Room temperature ionic liquids (ILs) at solid surfaces have been recognized for their significant interfacial properties in electrochemical and electronic devices. To ascertain the interface effects, we investigate dynamical and structural…

Chemical Physics · Physics 2017-10-27 Tamisra Pal , Constantin Beck , Dominik Lessnich , Michael Vogel

Liquids are in thermal equilibrium and have a non-zero static structure factor S(Q->0) = [<N^2>-<N>^2]/<N> = rho*k_B*T*Chi_T where rho is the number density, T is the temperature, Q is the scattering vector and Chi_T is the isothermal…

Soft Condensed Matter · Physics 2009-09-15 Adam M. R. de Graff , M. F. Thorpe

We investigated the influence of vacuum annealing on interface properties of silicon carbide (SiC) metal-oxide-semiconductor (MOS) structures. For as-oxidized and nitric oxide (NO)-annealed samples, the interface state density ($D_{\rm…

Materials Science · Physics 2019-07-29 Koji Ito , Takuma Kobayashi , Tsunenobu Kimoto

Real time electron microscopy observation on morphological changes in gold nano structures deposited on Si (100) surfaces as a function of annealing temperatures has been reported. Two types of interfaces with the substrate silicon were…

Mesoscale and Nanoscale Physics · Physics 2017-11-27 Ashutosh Rath , J. K. Dash , R. R. Juluri , A Rosenauer , P V Satyam

Amorphous silicon films prepared by electron beam evaporation have systematically and substantially greater atomic density for higher thickness, higher growth temperature, and slower deposition rate, reaching the density of crystalline Si…

Materials Science · Physics 2022-04-27 H. C. Jacks , M. Molina-Ruiz , M. H. Weber , J. J. Maldonis , P. M. Voyles , T. H. Metcalf , X. Liu , F. Hellman

Using a combination of quantum and classical computational approaches, we model the electronic structure in amorphous silicon in order gain understanding of the microscopic atomic configurations responsible for light induced degradation of…

Materials Science · Physics 2009-11-13 Lucas K. Wagner , Jeffrey C. Grossman

Atomic diffusion at nanometer length scale may differ significantly from bulk diffusion, and may sometimes even exhibit counterintuitive behavior. In the present work, taking Cu/Ni as a model system, a general phenomenon is reported which…

Materials Science · Physics 2019-05-15 Atul Tiwari , M. K. Tiwari , Mukul Gupta , H. -C. Wille , Ajay Gupta

Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…

Materials Science · Physics 2009-11-07 Alexis Lefevre , Laurent J. Lewis , Ludvik Martinu , Michael R. Wertheimer

Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin…

Solid oxide fuel cells (SOFCs) are becoming increasingly important due to their high electrical efficiency, the flexible choice of fuels and relatively low emissions of pollutants. However, the increasingly growing demands for…

Atomic scale computer simulations on structures and photo induced volume changes of flatly and obliquely deposited amorphous selenium films have been carried out in order to understand how the properties of chalcogenide glasses are…

Materials Science · Physics 2009-11-13 Rozalia Lukacs , Jozsef Hegedus , Sandor Kugler

The evolution of the polymer structure during nanocomposite formation and annealing of silica-latex nanocomposites is studied using contrast-variation small angle neutron scattering. The experimental system is made of silica nanoparticles…

An experimental methodology is developed to evaluate size effects in nanovoids deformation under macroscopic uniaxial stress loading conditions. Quantitative evaluation of voids deformation as a function of voids size shows both a…

Materials Science · Physics 2019-10-29 J. Hure , P. O. Barrioz , B. Tanguy

The deposition of one silicon monolayer on the silver (111) substrate in the temperature range 150-300$^\circ$C, gives rise to a mix of (4$\times$4), ($2\sqrt{3}\times 2\sqrt{3}$)R30$^\circ$ and ($\sqrt{13}\times\sqrt{13}$)R13.9$^\circ$…

Materials Science · Physics 2015-06-04 H. Jamgotchian , Y. Colignon , N. Hamzaoui , B. Ealet , J. Y. Hoarau , B. Aufray , J. P. Bibérian