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The nonstoichiometric NaxCoO2 system exhibits extraordinary physical properties that correlate with temperature and Na concentration in its layered lattice without evident long-range structure modification when conventional crystallographic…

Strongly Correlated Electrons · Physics 2009-11-10 H. X. Yang , C. J. Nie , Y. G. Shi , H. C. Yu , S. Ding , Y. L. Liu , D. Wu , N. L. Wang , J. Q. Li

The effect of hydrostatic pressure on the superconducting transition temperature of Na{0.35}CoO{2}.yH{2}O was investigated by ac susceptibility measurements up to 1.6 GPa. The pressure coefficient of T{c} is negative and the dependence…

Superconductivity · Physics 2009-11-10 B. Lorenz , J. Cmaidalka , R. L. Meng , C. W. Chu

Absorption spectra of liquid water at 300 K are calculated from both classical and density functional theory molecular dynamics simulation data, which together span from 1 MHz to hundreds of THz, agreeing well with experimental data…

Chemical Physics · Physics 2020-09-09 Shane Carlson , Florian N. Brünig , Philip Loche , Douwe Jan Bonthuis , Roland R. Netz

Frequency domain super-heterodyne laser light scattering is utilized in a low angle integral measurement configuration to determine flow and diffusion in charged sphere suspensions showing moderate to strong multiple scattering. We…

Sodium-ion batteries (SIBs) have received significant attention as promising alternative for energy storage applications owing to the large availability and low cost of sodium. In this paper we study the electrochemical behavior of…

Chemical Physics · Physics 2020-12-02 Jayashree Pati , Mahesh Chandra , Rajendra S. Dhaka

Estimating composition dependent diffusion coefficients in multicomponent alloys was a longstanding challenge due to limitations in experimental methods. In this study, we have first demonstrated a strategic design of producing only three…

Materials Science · Physics 2025-06-17 Suman Sadhu , Saswata Bhattacharyya , Aloke Paul

In this work, we have estimated self diffusion coefficients along with the binary diffusion coefficients of mixtures of alkane (methane, ethane, propane and n-butane) in SPC/E water(H$_2$O). Molecular dynamics study of a binary mixture of…

Highly concentrated aqueous lithium chloride solutions were investigated by classical molecular dynamics (MD) and reverse Monte Carlo (RMC) simulations. At first MD calculations were carried out applying twenty-nine combinations of…

Chemical Physics · Physics 2018-11-27 Ildikó Pethes

We report the diffusion of water molecules confined in the pores of folded silica materials (FSM-12 with average pore diameter of $\sim$ 16 \AA), measured by means of quasielastic neutron scattering using the cold neutron chopper…

Soft Condensed Matter · Physics 2015-06-16 S. O. Diallo , E. Mamontov , A. Podlesnyak , G. Ehlers , N. Wada , S. Inagaki , Y. Fukushima

The free standing solid polymer nanocomposite films has been prepared through standard solution cast technique. The improvement in structural, microstructural and electrochemical properties has been observed on the dispersion of nanofiller…

Materials Science · Physics 2018-07-16 Anil Arya , A. L. Sharma

Theoretical calculations of the mixed aggregation/coalescence (kFC) rate corresponding to a set of hexadecane-in-water nano-emulsions stabilized with sodium dodecyl sulphate (SDS) at different NaCl concentrations are presented. The rates…

Soft Condensed Matter · Physics 2015-07-08 German Urbina-Villalba , Neyda Garcia-Valera , Kareem Rahn-Chique

Neutron scattering has been used to investigate the crystal structure and lattice dynamics of superconducting Na0.3CoO2 1.4(H/D)2O, and the parent Na0.3CoO2 material. The structure of Na0.3CoO2 consists of alternate layers of CoO2 and Na…

Superconductivity · Physics 2009-11-10 J. W. Lynn , Q. Huang , C. M. Brown , V. L. Miller , M. L. Foo , R. E. Schaak , C. Y. Jones , E. A. Mackey , R. J. Cava

We have developed a microfluidic tool to measure the diffusion coefficient $D$ of solutes in an aqueous solution, by following the temporal relaxation of an initially steep concentration gradient in a microchannel. Our chip exploits…

Soft Condensed Matter · Physics 2022-08-23 Hoang-Thanh Nguyen , Anne Bouchaudy , Jean-Baptiste Salmon

To provide a complete local monitoring of the state of an unsaturated soil sample during triaxial testing, a local water content measurement device was adapted to a triaxial device comprising the measurement of local displacements (Hall…

Geophysics · Physics 2013-03-22 José Munoz-Castelblanco , Pierre Delage , Jean-Michel Pereira , Yu-Jun Cui

Single crystals of NaxCoO2 with beta-phase (x=0.55, 0.60 and 0.65), alpha'-phase (x=0.75) and alpha-phase (x=0.9, 1.0) have been grown by the floating zone technique. The Na-extraction and hydration were carried out for the alpha'-sample to…

Strongly Correlated Electrons · Physics 2022-05-31 C. T. Lin , D. P. Chen , P. Lemmens , X. N. Zhang , A. Maljuk , P. X. Zhang

Self- and binary Maxwell-Stefan diffusion coefficients were determined by equilibrium molecular dynamics simulations with the Green-Kubo method. This study covers self-diffusion coefficients at liquid states for eight pure fluids, i.e.…

Chemical Physics · Physics 2009-04-30 Gimmy Alex Fernandez Ramirez , Jadran Vrabec , Hans Hasse

We exploit a precipitation-redispersion mechanism for complexation of short chain polyelectrolytes with cerium oxide nanoparticles to extend their stability ranges. As synthesized, cerium oxide sols at pH 1.4 consist of monodisperse…

Soft Condensed Matter · Physics 2007-05-23 A. Sehgal , Y. Lalatonne , J. -F. Berret , M. Morvan

When water molecules are confined to nanoscale spacings, such as in the nanometer size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures ($\sim$ 150 K), leading to a metastable liquid…

Soft Condensed Matter · Physics 2015-06-23 S. O. Diallo , L. Vlcek , E. Mamontov , J. K. Keum , Jihua Chen , J. S. Hayes , A. A. Chialvo

The model Tip4p/{\epsilon} for water is tested for the presence of thermodynamic and dy- namic anomalies. Molecular dynamic simulations for this model were performed and we show that for this system the density versus temperature at…

Soft Condensed Matter · Physics 2015-08-12 Raul Fuentes-Azcatl , Marcia C. Barbosa

Separation of salt ions from seawater using graphene oxide (GO) membrane is an emerging desalination method. Here, we investigate the dynamic behavior of water, sodium, and chloride ions inside GO membrane using a computational approach.…

Chemical Physics · Physics 2021-08-25 One-Sun Lee