相关论文: Hydration Dynamics and IR Spectroscopy of 4-Fluoro…

2D-Raman-THz spectroscopy of liquid water, which has been presented recently (Proc. Natl. Acad. Sci. USA 110, 20402 (2013)), directly probes the intermolecular degrees of freedom of the hydrogen-bond network. However, being a relatively new…

Coherent light pulses of few to hundreds of femtoseconds (fs) duration have prolifically served the field of ultrafast phenomena. While fs pulses address mainly dynamics of nuclear motion in molecules or lattices in the gas, liquid or…

The structural dynamics of biological macromolecules, such as proteins, DNA/RNA, or complexes thereof, are strongly influenced by protonation changes of their typically many titratable groups, which explains their sensitivity to pH changes.…

This paper proposes a phase field model (PFM) for describing hydraulic fracture propagation in transversely isotopic media. The coupling between the fluid flow and displacement fields is established according to the classical Biot…

A torsional oscillator study of solid para-hydrogen has been carried out down to 20 mK in search for evidence of superfluidity. This work was inspired by the observation of the supersolid phase in solid He-4. We found evidence of a possible…

Simulations of gas-solid mixtures are used in many scientific and industrial applications. Two-Fluid Smoothed Particle Hydrodynamics (TFSPH) is an approach when gas and solids are simulated with different sets of particles interacting via…

The experimental data on the thermal conductivity of ortho-parahydrogen solutions are analyzed on the basis of a relaxation-time model taking account of configurational relaxation of the ortho subsystem. The influence of configurational…

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 present a generally-applicable computational framework for the efficient and accurate characterization of molecular structural patterns and acid properties in explicit solvent using H$_2$O$_2$ and CH$_3$SO$_3$H in phenol as an example.…

Recently, it has been realized that liquids are able to support solid-like transverse modes with an interesting gap in momentum space developing in the dispersion relation. We show that this gap is also present in simple holographic…

This work presents a high-fidelity computational fluid dynamics (CFD) and data-driven modeling framework for assembly-level flow characterization in a four-loop pressurized water reactor (PWR). A full lower-plenum and core-inlet domain was…

Series of molecular dynamics simulations for 2-propanol-water mixtures, as a function of temperature (between freezing and room temperature) and composition (xip= 0, 0.5, 0.1 and 0.2) have been performed for temperatures reported in the…

A fluid-structure-interaction (FSI) experiment was designed and executed with a focus on producing low-frequency (~10 Hz), high-amplitude ($\pm$3.5% of the span) fin motion. This was achieved by placing a backward facing swept fin at…

We investigate the new type of excitations on the surface of liquid helium. These excitations, called surfons, appear because helium atoms have discrete energy level at the liquid surface, being attracted to the surface by the van der Waals…

The dynamic structure factor and the eigenmodes of density fluctuations in the uniform liquid $^3$He are studied using a novel non-perturbative approach. This new version of the self-consistent method of moments invokes up to nine sum rules…

We present a multi-resolution approach for constructing model-based simulations of hydraulic fracturing, wherein flow through porous media is coupled with fluid-driven fracture. The approach consists of a hybrid scheme that couples a…

Interfacial behaviours in multiphase systems containing H2 are crucial to underground H2 storage but are not well understood. Molecular dynamics simulations were conducted to study interfacial properties of the H2O+H2 and…

We present a time-resolved infrared (IR) pump and extreme-ultraviolet (XUV) probe diffraction experiment to investigate ultrafast structural dynamics in colloidal crystals with picosecond resolution. The experiment was performed at the…

Specifically, we examine concentrations from [NaCl]=1m to [NaCl]=6m, where 6.1m represents the solubility threshold of NaCl in H2O. For the water model, we employ the flexible TIP4P/$\epsilon_{Flex}$ model, which offers an enhanced…

Ionic Liquids feature thermophysical properties that are of interest in solvents, energy storage materials and tenable lubrication applications. Recently, a series of coarse grained (CG) models was developed to investigate…