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Ammonium DiNitramide (ADN) is one of the most promising green energetic oxidizers for future rocket propellant formulations. In the present work, we report a detailed theoretical study on structural, elastic, and vibrational properties of…

Materials Science · Physics 2016-09-05 N. Yedukondalu , Vikas D. Ghule , G. Vaitheeswaran

This work investigates the high-pressure structure of freestanding superconducting ($T_{c}$ = 4.3\,K) boron doped diamond (BDD) and how it affects the electronic and vibrational properties using Raman spectroscopy and x-ray diffraction in…

Optical measurements under externally applied stresses allow us to study the materials' electronic structure by comparing the pressure evolution of optical peaks obtained from experiments and theoretical calculations. We examine the…

The effects of pressure on the superconducting properties of a Bi-based layered superconductor La2O2Bi3Ag0.6Sn0.4S6, which possesses a four-layer-type conducting layer, have been studied through the electrical resistance and magnetic…

Pressure and temperature dependent susceptibility and Raman scattering experiments on single crystalline Cu_xZn_(1-x)GeO_3 have shown an unusually strong increase of the spin-Peierls phase transition temperature upon applying hydrostatic…

Measurements of liquid-liquid phase transition temperatures (cloud points) of mixtures of a protein (lysozyme) and a polymer, poly(ethylene glycol) (PEG) show that the addition of low molecular weight PEG stabilizes the mixture whereas high…

Soft Condensed Matter · Physics 2009-11-11 J. Bloustine , T. Virmani , G. M. Thurston , S. Fraden

We perform systematic molecular dynamics simulations of water confined between two nanoscale plates at T=300 K. We investigate the effect of pressure (-0.15 GPa <= P <= 0.2 GPa) and plate separation (0.4 nm <= d <= 1.6 nm) on the phase…

Chemical Physics · Physics 2016-09-08 Nicolas Giovambattista , Peter J. Rossky , Pablo G. Debenedetti

We have studied dense hydrogen and deuterium experimentally up to 320 GPa and using ab initio molecular dynamic (MD) simulations up to 370 GPa between 250 and 300 K. Raman and optical absorption spectra show significant anharmonic and…

We applied angular X-ray Cross-Correlation analysis (XCCA) to scattering images from a femtosecond resolution LCLS X-ray free-electron laser (XFEL) pump-probe experiment with solvated PtPOP ([Pt$_2$(P$_2$O$_5$H$_2$)$_4$]$^{4-}$) metal…

We investigate the crystallization of crosslinked and entangled polymers under external deformation using a coarse-grained poly(vinyl alcohol) (CG-PVA) model and molecular dynamics simulations. Following uniaxial deformation, the systems…

Soft Condensed Matter · Physics 2026-01-19 Atmika Bhardwaj , Huzaifa Shabbir , Jens-Uwe Sommer , Marco Werner

By applying pressures up to 42 GPa on the nitrogen-doped lutetium hydride (LuH$_{2\pm\text{x}}$N$_y$), we have found a gradual change of color from dark-blue to pink-violet in the pressure region of about 12 GPa to 21 GPa. The temperature…

Superconductivity · Physics 2023-05-12 Ying-Jie Zhang , Xue Ming , Qing Li , Xiyu Zhu , Bo Zheng , Yuecong Liu , Chengping He , Huan Yang , Hai-Hu Wen

We report molecular dynamics simulations of a hydrophobic polymer-chain in aqueous solution between $260 {K}$ and $420 {K}$ at pressures of $1 {bar}$, $3000 {bar}$, and $4500 {bar}$. The simulations reveal a hydrophobically collapsed state…

Soft Condensed Matter · Physics 2017-09-13 Dietmar Paschek , Sascha Nonn , Alfons Geiger

The structural evolution of two selected compositions of Yttria-Stabilized Zirconia (YSZ), with 3mol% (3YSZ) and 8mol% (8YSZ) of Y2O3, have been investigated under pressure using in-situ synchrotron X-ray diffraction (XRD) and Raman…

We performed ac-susceptibility measurements of magnesium diboride powder samples under pure hydrostatic pressures up to 0.4 GPa and under quasi-hydrostatic pressure conditions up to 8 GPa in a helium gas pressure cell and a diamond-anvil…

Superconductivity · Physics 2007-05-23 S. I. Schlachter , W. H. Fietz , K. Grube , W. Goldacker

Anomalous non-exponential relaxation in hydrated biomolecules is commonly attributed to the complexity of the free-energy landscapes, similarly to polymers and glasses. It was found recently that the hydrogen-bond breathing of terminal DNA…

Biomolecules · Quantitative Biology 2017-07-05 Alexey K. Mazur

Structural, magnetic and electrical-transport properties of {\alpha}-LiFeO2, crystallizing in the rock salt structure with random distribution of Li and Fe ions, have been studied by synchrotron X-ray diffraction, 57Fe M\"ossbauer…

Strongly Correlated Electrons · Physics 2017-09-29 Samar Layek , Eran Greenberg , Weiming Xu , Gregory Kh. Rozenberg , Moshe P. Pasternak , Jean-Paul Itié , Dániel G. Merkel

Pressure induced structural modifications in vitreous Ge$_{x}$Se$_{100-x}$ (where 10 $\leq$ x $\leq$ 25)are investigated using X-ray absorption spectroscopy (XAS) along with supplementary X-ray diffraction (XRD) experiments and ab initio…

Investigating electronic structure and excitations under extreme conditions gives access to a rich variety of phenomena. High pressure typically induces behavior such as magnetic collapse and the insulator-metal transition in 3d transition…

Strongly Correlated Electrons · Physics 2017-09-27 Jean-Pascal Rueff , Abhay Shukla

We report X-ray Photon Correlation Spectroscopy (XPCS) results on a bidimensional (2D) gel formed by a Langmuir monolayer of gold nanoparticles. The system allows an experimental determination of the fourth order time correlation function…

Soft Condensed Matter · Physics 2012-03-29 D. Orsi , L. Cristofolini , G. Baldi , A. Madsen

We have determined the crystal structures and superconducting transition temperatures of La1.48Nd0.4Sr0.12CuO4 under nearly hydrostatic pressures in diamond anvil cells to 5.0 GPa and 19.0 GPa, respectively. Synchrotron x-ray powder…

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