Using extensive equilibrium molecular dynamics simulations we determine the dielectric spectra of aqueous solutions of NaF, NaCl, NaBr, and NaI. The ion-specific and concentration-dependent shifts of the static dielectric constants and the dielectric relaxation times match experimental results very well, which serves as a validation of the classical and non-polarizable ionic force fields used. ...

The aim of this work was to evaluate the capabilities of Debye theory combined with Finite Difference Time Domain (FDTD) methods to simulate the terahertz (THz) response of breast tissues. Being able to accurately model breast tissues in the THz regime would facilitate the understanding of image contrast parameters used in THz imaging of breast cancer. As a test case, the model was first valida...

A local continuum solvation theory, exactly treating electrostatic matching conditions on the boundary of a cavity occupied by a solute particle, is extended to cover time-dependent solvation phenomena. The corresponding integral equation is solved with a complex-valued frequency-dependent dielectric function «~v!, resulting in a complex-valued v-dependent reaction field. The inverse Fourier tr...

The structural properties of model microgel particles are investigated by molecular dynamics simulations applying a coarse-grained model. A microgel is comprised of a regular network of polymers internally connected by tetra-functional cross-links and with dangling ends at its surface. The self-avoiding polymers are modeled as bead-spring linear chains. Electrostatic interactions are taken into...

Following the laser ablation studies leading to a theory of nuclei confinement by a Debye layer mechanism, we present here numerical evaluations for the known stable nuclei where the Coulomb repulsion is included as a rather minor component especially for lager nuclei. In this research paper the required physical conditions for the formation and stability of nuclei particularly endothermic nucl...

Iodine K-edge XAFS of triiodide ions in various solvents were measured at SPring-8 BL01B1 and analyzed. Though the anion takes a linear and symmetric form, the second peak expected from enhanced multiple scatterings can be hardly observed because of its large vibrations. The bond distances and the Debye-Waller factors for the I-I couple vary when protic solvents were used and they were similar ...

New relativistic approach to computing the spectral parameters of multicharged ions in plasmas for different values screening (Debye) parameter (respectively, electron density, temperature) is presented. The presented based on generalized energy combined with optimized many-body perturbation theory Dirac-Debye hamiltonian as a zeroth approximation, adapted application study and atoms plasmas. s...