Single particle properties in asymmetric nuclear matter and TBF rearrangement effect

We have developed the formula and the numerical code for calculating the rearrangement contribution to the single particle (s.p.) properties in asymmetric nuclear matter induced by three-body forces within the framework of the Brueckner theory extended to include a microscopic three-body force (TBF). We have investigated systematically the TBF-induced rearrangement effect on the s.p. properties and their isospin-behavior in neutron-rich nuclear medium. It is shown that the TBF induces a repulsive rearrangement contribution to the s.p. potential in nuclear medium. The repulsion of the TBF rearrangement contribution increases rapidly as a function of density and nucleon momentum. It reduces largely the attraction of the BHF s.p. potential and enhances strongly the momentum dependence of the s.p. potential at large densities and high-momenta. The TBF rearrangement effect on symmetry potential is to enhances its repulsion (attraction) on neutrons (protons) in dense asymmetric nuclear matter.

Three-body force rearrangement effect on single particle properties in neutron-rich nuclear matter

We extend the Brueckner-Hartree-Fock (BHF) approach to include the three-body force (TBF) rearrangement contribution in calculating the neutron and proton single particle (s.p.) properties in isospin asymmetric nuclear matter. We investigate the TBF rearrangement effect on the momentum-dependence of neutron and proton s.p. potentials, the isospin splitting and especially its density dependence of the neutron and proton effective masses, and the isospin symmetry potential in neutron-rich nuclear matter by adopting the realistic Argonne V-18 two-body nucleon-nucleon interaction supplemented with a microscopic TBF. We find that at low densities, the TBF rearrangement effect is fairly weak, whereas the TBF induces a significant rearrangement effect on the s.p. properties at high densities and large momenta. The TBF rearrangement contribution to s.p. potential is shown to be repulsive, and it reduces considerably the attraction of the BHF s.p. potential. The repulsion from the TBF rearrangement turns out to be strongly momentum dependent at high densities and high momenta. As a consequence, it enhances remarkably the momentum dependence of the proton and neutron s.p. potentials and reduces the neutron and proton effective masses. At low densities, the TBF rearrangement effect on symmetry potential is almost negligible, while at high densities, it enlarges sizably the symmetry potential. At high enough densities, it may even change the high-momentum behavior of symmetry potential. In both cases, with and without including the TBF rearrangement contribution, the predicted neutron effective mass is larger than the proton one in neutron-rich matter within the BHF framework; i.e., the predicted isospin splitting of the proton and neutron effective masses in neutron-rich matter is such that m(n)(*)>= m(p)(*), in agreement with the recent Dirac-BHF predictions. The TBF rearrangement contribution reduces remarkably the magnitude of the proton-neutron effective mass splitting at high densities. At high enough densities, inclusion of the TBF rearrangement contribution even suppresses almost completely the effective mass splitting.

EOS and Single Particle Properties of Asymmetric Nuclear Matter

We have investigated the equation of state (EOS) and single particle (s.p.) properties of asymmetric nuclear matter within the framework of the Brueckner-Bethe-Goldstone approach. We have discussed particularly the effect of microscopic three-body forces (TBF). It is shown that the TBF affects significantly the predicted properties of nuclear matter at high densities.

Bulk and single-particle properties of hyperonic matter at finite temperature

Bulk and single-particle properties of hot hyperonic matter are studied within the Brueckner-Hartree-Fock approximation extended to finite temperature. The bare interaction in the nucleon sector is the Argonne V18 potential supplemented with an effective three-body force to reproduce the saturating properties of nuclear matter. The modern Nijmegen NSC97e potential is employed for the hyperon-nucleon and hyperon-hyperon interactions. The effect of temperature on the in-medium effective interaction is found to be, in general, very small and the single-particle potentials differ by at most 25% for temperatures in the range from 0 to 60 MeV. The bulk properties of infinite matter of baryons, either nuclear isospin symmetric or a Beta-stable composition that includes a nonzero fraction of hyperons, are obtained. It is found that the presence of hyperons can modify the thermodynamical properties of the system in a non-negligible way.

The extended Enskog operator for simple fluids with continuous potentials: single particle and collective properties

We generalized the Enskog theory originally developed for the hard-sphere fluid to fluids with continuous potentials, such as the Lennard–Jones. We derived the expression for the k and ω dependent transport coefficient matrix which enables us to calculate the transport coefficients for arbitrary length and time scales. Our results reduce to the conventional Chapman–Enskog expression in the low density limit and to the conventional k dependent Enskog theory in the hard-sphere limit. As examples, the self-diffusion of a single atom, the vibrational energy relaxation, and the activated barrier crossing dynamics problem are discussed.

It’s a Trap! Unravelling Reversible Charge Trapping in Nanocrystals Through Single Particle and Ensemble Studies

Thesis (Ph.D.)--University of Washington, 2016-08

Single particle motion of polymeric, colloidal, and biological materials

Small particles and their dynamics are of widespread interest due both to their unique properties and their ubiquity. Here, we investigate several classes of small particles: colloids, polymers, and liposomes. All these particles, due to their size on the order of microns, exhibit significant similarity in that they are large enough to be visualized in microscopes, but small enough to be significantly influenced by thermal (or Brownian) motion. Further, similar optical microscopy and experimental techniques are commonly employed to investigate all these particles. In this work, we develop single particle tracking techniques, which allow thorough characterization of individual particle dynamics, observing many behaviors which would be overlooked by methods which time or ensemble average. The various particle systems are also similar in that frequently, the signal-to-noise ratio represented a significant concern. In many cases, development of image analysis and particle tracking methods optimized to low signal-to-noise was critical to performing experimental observations. The simplest particles studied, in terms of their interaction potentials, were chemically homogeneous (though optically anisotropic) hard-sphere colloids. Using these spheres, we explored the comparatively underdeveloped conjunction of translation and rotation and particle hydrodynamics. Developing off this, the dynamics of clusters of spherical colloids were investigated, exploring how shape anisotropy influences the translation and rotation respectively. Transitioning away from uniform hard-sphere potentials, the interactions of amphiphilic colloidal particles were explored, observing the effects of hydrophilic and hydrophobic interactions upon pattern assembly and inter-particle dynamics. Interaction potentials were altered in a different fashion by working with suspensions of liposomes, which, while homogeneous, introduce the possibility of deformation. Even further degrees of freedom were introduced by observing the interaction of particles and then polymers within polymer suspensions or along lipid tubules. Throughout, while examination of the trajectories revealed that while by some measures, the averaged behaviors accorded with expectation, often closer examination made possible by single particle tracking revealed novel and unexpected phenomena.

SwarmPS: Rapid, semi-automated single particle selection software

Single particle analysis (SPA) coupled with high-resolution electron cryo-microscopy is emerging as a powerful technique for the structure determination of membrane protein complexes and soluble macromolecular assemblies. Current estimates suggest that ∼104–105 particle projections are required to attain a 3 Å resolution 3D reconstruction (symmetry dependent). Selecting this number of molecular projections differing in size, shape and symmetry is a rate-limiting step for the automation of 3D image reconstruction. Here, we present SwarmPS, a feature rich GUI based software package to manage large scale, semi-automated particle picking projects. The software provides cross-correlation and edge-detection algorithms. Algorithm-specific parameters are transparently and automatically determined through user interaction with the image, rather than by trial and error. Other features include multiple image handling (∼102), local and global particle selection options, interactive image freezing, automatic particle centering, and full manual override to correct false positives and negatives. SwarmPS is user friendly, flexible, extensible, fast, and capable of exporting boxed out projection images, or particle coordinates, compatible with downstream image processing suites.

Stochastic kinetics of ribosomes: Single motor properties and collective behavior

Syntheses of protein molecules in a cell are carried out by ribosomes.A ribosome can be regarded as a molecular motor which utilizes the input chemical energy to move on a messenger RNA (mRNA) track that also serves as a template for the polymerization of the corresponding protein. The forward movement, however, is characterized by an alternating sequence of translocation and pause. Using a quantitative model, which captures the mechanochemical cycle of an individual ribosome, we derive an exact analytical expression for the distribution of its dwell times at the successive positions on the mRNA track. Inverse of the average dwell time satisfies a Michaelis-Menten-type'' equation and is consistent with the general formula for the average velocity of a molecular motor with an unbranched mechanochemical cycle. Extending this formula appropriately, we also derive the exact force-velocity relation for a ribosome. Often many ribosomes each synthesizes a copy of the same protein. We extend the model of a single ribosome by incorporating steric exclusion of different individuals on the same track. We draw the phase diagram of this model of ribosome traffic in three-dimensional spaces spanned by experimentally controllable parameters. We suggest new experimental tests of our theoretical predictions.

Collective Effects on Single Particle Orientational Relaxation in Slow Dipolar Liquids

Theoretical and computer simulation studies of orientational relaxation in dense molecular liquids are presented. The emphasis of the study is to understand the effects of collective orientational relaxation on the single-particle orientational dynamics. The theoretical analysis is based on a recently developed molecular hydrodynamic theory which allows a self-consistent description of both the collective and the single-particle orientational relaxation. The molecular hydrodynamic theory can be used to derive a relation between the memory function for the collective orientational correlation function and the frequency-dependent dielectric function. A novel feature of the present work is the demonstration that this collective memory function is significantly different from the single-particle rotational friction. However, a microscopic expression for the single-particle rotational friction can be derived from the molecular hydrodynamic theory where the collective memory function can be used to obtain the single-particle orientational friction. This procedure allows, us to calculate the single-particle orientational correlation function near the alpha-beta transition in the supercooled liquid. The calculated correlation function shows an interesting bimodal decay below the bifurcation temperature as the glass transition is approached from above. Brownian dynamics simulations have been carried out to check the validity of the above procedure of translating the memory function from the dielectric relaxation data. We have also investigated the following two issues important in understanding the orientational relaxation in slow liquids. First, we present an analysis of the ''orientational caging'' of translational motion. The value of the translational friction is found to be altered significantly by the orientational caging. Second, we address the question of the rank dependence of the dielectric friction using both simulation and the molecular hydrodynamic theory.

Single Particle and Packed Bed Combustion in Modern Gasifier Stoves—Density Effects

This article is concerned with a study of an unusual effect due to density of biomass pellets in modern stoves based on close-coupled gasification-combustion process. The two processes, namely, flaming with volatiles and glowing of the char show different effects. The mass flux of the fuel bears a constant ratio with the air flow rate of gasification during the flaming process and is independent of particle density; char glowing process shows a distinct effect of density. The bed temperatures also have similar features: during flaming, they are identical, but distinct in the char burn (gasification) regime. For the cases, wood char and pellet char, the densities are 350, 990 kg/m(3), and the burn rates are 2.5 and 3.5 g/min with the bed temperatures being 1380 and 1502 K, respectively. A number of experiments on practical stoves showed wood char combustion rates of 2.5 +/- 0.5 g/min and pellet char burn rates of 3.5 +/- 0.5 g/min. In pursuit of the resolution of the differences, experimental data on single particle combustion for forced convection and ambient temperatures effects have been obtained. Single particle char combustion rate with air show a near-d(2) law and surface and core temperatures are identical for both wood and pellet char. A model based on diffusion controlled heat release-radiation-convection balance is set up. Explanation of the observed results needs to include the ash build-up over the char. This model is then used to explain observed behavior in the packed bed; the different packing densities of the biomass chars leading to different heat release rates per unit bed volume are deduced as the cause of the differences in burn rate and bed temperatures.

Many-Body Localization in the Presence of a Single-Particle Mobility Edge

In one dimension, noninteracting particles can undergo a localization-delocalization transition in a quasiperiodic potential. Recent studies have suggested that this transition transforms into a many-body localization (MBL) transition upon the introduction of interactions. It has also been shown that mobility edges can appear in the single particle spectrum for certain types of quasiperiodic potentials. Here, we investigate the effect of interactions in two models with such mobility edges. Employing the technique of exact diagonalization for finite-sized systems, we calculate the level spacing distribution, time evolution of entanglement entropy, optical conductivity, and return probability to detect MBL. We find that MBL does indeed occur in one of the two models we study, but the entanglement appears to grow faster than logarithmically with time unlike in other MBL systems.