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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Influence of pions on the hadron-quark phase transition

In this work we present the features of the hadron-quark phase transition diagrams in which the pions are included in the system. To construct such diagrams we use two different models in the description of the hadronic and quark sectors. At the quark level, we consider two distinct parametrizations of the Polyakov-Nambu-Jona-Lasinio (PNJL) models. In the hadronic side, we use a well known relativistic mean-field (RMF) nonlinear Walecka model. We show that the effect of the pions on the hadron-quark phase diagrams is to move the critical end point (CEP) of the transitions lines. Such an effect also depends on the value of the critical temperature (T{sub 0}) in the pure gauge sector used to parametrize the PNJL models. Here we treat the phase transitions using two values for T{sub 0}, namely, T{sub 0}= 270 MeV and T{sub 0}= 190 MeV. The last value is used to reproduce lattice QCD data for the transition temperature at zero chemical potential.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Hydro-chemo-mechanical phase field formulation for corrosion induced cracking in reinforced concrete

Steel corrosion induced cracking in reinforced concrete structures is often caused by volumetric straining at the steel-concrete interface. This volumetric strain is mainly controlled by the rate of generation of corrosion product, which depends on the diffusion of Cl{sup −} and dissolved O{sub 2} as well as the chemical reaction at the steel-concrete interface. While many numerical modeling techniques have been proposed to tackle this complex phenomenon, most have been limited to using staggered solution schemes, where the diffusion, chemical reaction, mechanical strain, and crack fields are solved for separately. Unfortunately, such approaches introduce numerical errors that can lead to unrealistic predictions. Therefore, a coupled solution, is needed to remove the formulation induced errors and understand this complex phenomenon. To provide a unifying solution framework for corrosion induced cracking in reinforced concrete, a phase field formulation is presented and implemented with FEM algorithms. The governing equations are derived from the system's free energy and Fick's law of diffusion. The proposed formulation was first validated in 1D by comparing the modeling results with the semi-analytical solution approximated via Laurent series to avoid singularities in the complex domain. 2D plane strain solutions to the embedded rebar undergoing corrosion induced cracking with pre-cracks are also presented and compared with the approximated solutions from linear elastic fracture mechanics theory (LEFM). The modeling of crack propagation enabled by the proposed formulation is also presented along with parametric studies to reveal the roles of the fracture toughness and permeability of the concrete on the corrosion induced cracking. A case study was also conducted on H-pile steel with concrete jackets to demonstrate the feasibility of modeling corrosion induced fracture in reinforced concrete structures with complex steel-concrete interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2016

High-power phase-locked quantum cascade laser array emitting at λ ∼ 4.6 μm

A phase-locked quantum cascade laser (QCL) array consisting of one hundred elements that were integrated in parallel was achieved at λ ∼ 4.6 μm. The proposed Fraunhofer’s multiple slits diffraction model predicted and explained the far-field pattern of the phase-locked laser array. A single-lobed far-field pattern, attributed to the emission of an in-phase-like supermode, is obtained near the threshold (I{sub th}). Even at 1.5 I{sub th}, greater than 73.3% of the laser output power is concentrated in a low-divergence beam with an optical power of up to 40 W.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Toward High Fidelity LES Simulations of 5 x 5 PWR Fuel Bundle with Mixing Vane

The present work illustrates one example of a computational fluid dynamics (CFD) application in the nuclear engineering field. Since CFD is one of the most powerful tools available at the actual state of the art that could in principle help and assist the design process, a compromise should be established between the accuracy of the CFD numerical model (RANS - LES - DNS) and the computational cost of the simulations. In this spirit, this work will present the computational results from two different CFD model categories, Large Eddy Simulations (LES) and Reynolds-averaged Navier-Stokes (RANS) models. Both treat the flow turbulence issue in two separate ways, which differ mostly in the resolution of the turbulence statistics and the computational cost. The single-phase hydraulic problem presented involves the steady-state turbulent flow field modelling and resolution around a scaled PWR mixing vane grid, designed by Westinghouse and tested by Texas A and M University. The role of the mixing vane/spacer grid is to enhance the turbulent mixing and hence heat transfer of the core coolant around fuel bundles, thus increasing the departure of nucleate boiling-critical heat flux (DNB-CHF) point, as well as important structural functions for the rods bundles. The authors numerically studied the flow field characteristics at the region downstream of the spacer grids and validated their results to particle imagery velocimetry (PIV) measurements. Dominguez and Hassan performed two-dimensional time resolved PIV (TR-PIV) measurements within a 5 x 5 PWR rod bundle with spacer-grids that utilized a matching index of refraction (MIR) approach. Their averaged data showed a rather uniform direction velocity profile after the spacer grid while the downstream illustrated a no slip wall profile. The available PIV flow field experimental results from Texas A and M show complex structures of the flow field downstream the mixing vanes with the formation of secondary flows that tend to enhance the turbulent heat transfer, due to the mixing vanes geometry itself. Computational results will be validated with the available experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Effects of natural zeolites on field-scale geologic noble gas transport

Improving predictive models for noble gas transport through natural materials at the field-scale is an essential component of improving US nuclear monitoring capabilities. Several field-scale experiments with a gas transport component have been conducted at the Nevada National Security Site (Non-Proliferation Experiment, Underground Nuclear Explosion Signatures Experiment). However, the models associated with these experiments have not treated zeolite minerals as gas adsorbing phases. This is significant as zeolites are a common alteration mineral with a high abundance at these field sites and are shown here to significantly fractionate noble gases during field-scale transport. This fractionation and associated retardation can complicate gas transport predictions by reducing the signal-to-noise ratio to the detector (e.g. mass spectrometers or radiation detectors) enough to mask the signal or make the data difficult to interpret. Omitting adsorption-related retardation data of noble gases in predictive gas transport models therefore results in systematic errors in model predictions where zeolites are present.Herein is presented noble gas adsorption data collected on zeolitized and non-zeolitized tuff. Experimental results were obtained using a unique piezometric adsorption system designed and built for this study. Data collected were then related to pure-phase mineral analyses conducted on clinoptilolite, mordenite, and quartz. These results quantify the adsorption capacity of materials present in field-scale systems, enabling the modeling of low-permeability rocks as significant sorption reservoirs vital to bulk transport predictions.

58 GEOSCIENCES↗
DOE OSTI2024

Topological and magnetic phase transitions in the bilayer Kitaev-Ising model

We investigate the phase diagram of a bilayer Kitaev honeycomb model with Ising interlayer interactions, deriving effective models via perturbation theory and performing Majorana mean-field theory calculations. We show that a diverse array of magnetic and topological phase transitions occur, depending on the direction of the interlayer Ising interaction and the relative sign of Kitaev interactions. When two layers have the same sign of the Kitaev interaction, a first-order transition from a Kitaev spin liquid to a magnetically ordered state takes place. The magnetic order points along the Ising axis and it is (anti)ferromagnetic for (anti)ferromagnetic Kitaev interactions. However, when two layers have opposite signs of the Kitaev interaction, we observe a notable weakening of magnetic ordering tendencies and the Kitaev spin liquid survives up to a remarkably larger interlayer exchange. Our mean-field analysis suggests the emergence of an intermediate gapped ℤ 2 spin-liquid state, which eventually becomes unstable upon vison condensation. The confined phase is described by a highly frustrated 120° compass model. We furthermore use perturbation theory to study the model with the Ising axis pointing along the $\hat{z}$ axis or lying in the 𝑥⁢𝑦 plane. In both cases, our analysis reveals the formation of one-dimensional Ising chains, which remain decoupled in perturbation theory, resulting in a subextensive ground-state degeneracy. Our results highlight the interplay between topological order and magnetic ordering tendencies in bilayer quantum spin liquids.

Kitaev model↗
DOE OSTI2023

Dynamics of electrified liquid metal surface using shallow water model

A shallow water model that incorporates surface tension and electric field effects is developed to investigate the dynamics of an electrified liquid surface. The computational model is verified against the Zakharov–Kuznetsov equation and is applied to study the growth and damping of the electrified liquid surface. A linear wave analysis is performed under a shallow water theory assuming an analytic solution of the electric field, similar to the Tonks–Frenkel instability. The electrified liquid surface grows or dampens based on the balance of the electric field, surface tension, and gravitational forces. As a result, the numerical results obtained from the electrified shallow water solver are in good agreement with the theoretical analysis.

Computational models↗
DOE OSTI2024

Multimodal Approach Reveals the Symmetry-Breaking Pathway to the Broken Helix in EuIn 2 ⁢As 2

Understanding and manipulating emergent phases, which are themes at the forefront of quantum-materials research, rely on identifying their underlying symmetries. This general principle has been particularly prominent in materials with coupled electronic and magnetic degrees of freedom, in which magnetic order influences the electronic band structure and can lead to exotic topological effects. However, identifying symmetry of a magnetically ordered phase can pose a challenge, particularly in the presence of small domains. Here we introduce a multimodal approach for determining magnetic structures, which combines symmetry-sensitive optical probes, scattering, and group-theoretical analysis. We apply it to EuIn 2 ⁢As 2 , a material that has received attention as a candidate axion insulator. While first-principles calculations predict this state on the assumption of a simple collinear antiferromagnetic structure, subsequent neutron-scattering measurements reveal a much more intricate magnetic ground state characterized by two coexisting magnetic wave vectors reached by successive thermal phase transitions. The proposed high- and low-temperature phases are a spin helix and a state with interpenetrating helical and Néel antiferromagnetic order termed a “broken helix,” respectively. Employing a multimodal approach, we identify the magnetic structure associated with these two phases of EuIn 2 ⁢As 2 . We find that the higher-temperature phase is characterized by a variation of the magnetic moment amplitude from layer to layer, with the moment vanishing entirely in every third Eu layer. The lower-temperature structure is similar to the broken helix, with one important difference: Because of local strain, the relative orientation of the magnetic structure and the lattice is not fixed. Consequently, the symmetry required to protect the axion phase is not generically protected in EuIn 2 ⁢As 2 , but we show that it can be restored if the magnetic structure is tuned with uniaxial strain. Finally, we present a spin Hamiltonian that identifies the spin interactions that account for the complex magnetic order in EuIn 2 ⁢As 2 . Our work highlights the importance of a multimodal approach in determining the symmetry of complex order parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Fluctuations analysis of spin susceptibility: Néel ordering revisited in dynamical mean field theory

Here in this paper, we revisit the antiferromagnetic (AF) phase diagram of the single-band three-dimensional half-filled Hubbard model on a simple cubic lattice studied within the dynamical mean field theory (DMFT). Although this problem has been investigated extensively in the literature, a comprehensive understanding of the impact of the different one- and, in particular, two-particle local correlation functions of DMFT on the AF transition temperature is still missing. We have, hence, performed a fluctuation analysis of T N with respect to different local bosonic fluctuations (charge, spin, particle-particle) contained in the two-particle vertex of DMFT. Our results indicate that, beyond weak coupling, the screening of the DMFT vertex by local fluctuations leads to an enhancement of T N with respect to a random phase approximation (RPA) like calculation where this vertex is replaced by the bare interaction. The overall suppression of T N in DMFT with respect to RPA is then solely due to the incoherence introduced by the DMFT self-energy in the one-particle Green's functions. This illustrates the Janus-faced role of the local moment formation in the DMFT solution of the Hubbard model, which leads to completely opposite effects in the one- and two-particle correlation functions.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Magnetic variations during substorms

Extensive observations of magnetic field variations during auroral substorms have been used to construct phenomenological models of the substorm process. In one model, three substorm phases, growth, expansion and recovery correspond respectively to energy storage, energy release and return to equilibrium. New data and more detailed studies show the simple model required modification. Consideration is given to a number of recent studies of substorm magnetic field variations which illustrate the limitations of the simple model. These include the existence of several substorm expansions following a single growth phase; the frequent occurrence of multiple onsets of a single substorm; plasma sheet thinning prior to each onset; correlations between northward fluctuations of the IMF and expansion onset. These observations are incorporated into a revised phenomenological model.

Mcpherron, R. L.↗
DOE OSTI2019

Gravitational waves from first-order phase transition in a simple axion-like particle model

We consider a gauge-singlet complex scalar field Φ with a global U(1) symmetry that is spontaneously broken at some high energy scale ƒ a . As a result, the angular part of the Φ-field becomes an axion-like particle (ALP). We show that if the Φ-field has a nonzero coupling κ to the Standard Model Higgs boson, there exists a certain region in the (ƒ a , κ) parameter space where the global U(1) symmetry-breaking induces a strongly first order phase transition, thereby producing stochastic gravitational waves that are potentially observable in current and future gravitational-wave detectors. In particular, we find that future gravitational-wave experiments such as TianQin, BBO and Cosmic Explorer could probe a broad range of the energy scale 10 3 GeV ≳ ƒ a ≳ 108 GeV, independent of the ALP mass. Since all the ALP couplings to the Standard Model particles are proportional to inverse powers of the energy scale ƒ a (up to model-dependent O (1) coefficients), the gravitationalwave detection prospects are largely complementary to the current laboratory, astrophysical and cosmological probes of the ALP scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

On a simple molecular–statistical model of a liquid-crystal suspension of anisometric particles

A molecular–statistical mean-field theory is constructed for suspensions of anisometric particles in nematic liquid crystals (NLCs). The spherical approximation, well known in the physics of ferromagnetic materials, is considered that allows one to obtain an analytic expression for the free energy and simple equations for the orientational state of a suspension that describe the temperature dependence of the order parameters of the suspension components. The transition temperature from ordered to isotropic state and the jumps in the order parameters at the phase-transition point are studied as a function of the anchoring energy of dispersed particles to the matrix, the concentration of the impurity phase, and the size of particles. The proposed approach allows one to generalize the model to the case of biaxial ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2008

Forecasting Lightning Threat using Cloud-Resolving Model Simulations

Two new approaches are proposed and developed for making time and space dependent, quantitative short-term forecasts of lightning threat, and a blend of these approaches is devised that capitalizes on the strengths of each. The new methods are distinctive in that they are based entirely on the ice-phase hydrometeor fields generated by regional cloud-resolving numerical simulations, such as those produced by the WRF model. These methods are justified by established observational evidence linking aspects of the precipitating ice hydrometeor fields to total flash rates. The methods are straightforward and easy to implement, and offer an effective near-term alternative to the incorporation of complex and costly cloud electrification schemes into numerical models. One method is based on upward fluxes of precipitating ice hydrometeors in the mixed phase region at the-15 C level, while the second method is based on the vertically integrated amounts of ice hydrometeors in each model grid column. Each method can be calibrated by comparing domain-wide statistics of the peak values of simulated flash rate proxy fields against domain-wide peak total lightning flash rate density data from observations. Tests show that the first method is able to capture much of the temporal variability of the lightning threat, while the second method does a better job of depicting the areal coverage of the threat. Our blended solution is designed to retain most of the temporal sensitivity of the first method, while adding the improved spatial coverage of the second. Exploratory tests for selected North Alabama cases show that, because WRF can distinguish the general character of most convective events, our methods show promise as a means of generating quantitatively realistic fields of lightning threat. However, because the models tend to have more difficulty in predicting the instantaneous placement of storms, forecasts of the detailed location of the lightning threat based on single simulations can be in error. Although these model shortcomings presently limit the precision of lightning threat forecasts from individual runs of current generation models,the techniques proposed herein should continue to be applicable as newer and more accurate physically-based model versions, physical parameterizations, initialization techniques and ensembles of forecasts become available.

McCaul, Eugene W., Jr.↗
DOE OSTI2011

Particle Production in Nucleus-Nucleus Collisions at the SPS and the QCD Phase Diagram

Results of the NA49 experiment on particle production in the energy regime of the CERN-SPS are reviewed. In order to collect information on the properties of the QCD phase diagram systematic studies of the energy dependence of particle production in heavy ion collisions have been performed. Net-baryon distributions and results on strangeness production are discussed. Recent attempts to search for a critical point, such as multiplicity fluctuations and the transverse mass dependence of anti-baryon/baryon ratios are reviewed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Superfluid, solid, and supersolid phases of dipolar bosons in a quasi-one-dimensional optical lattice

We discuss a model of dipolar bosons trapped in a weakly coupled planar array of one-dimensional tubes. We consider the situation where the dipolar moments are aligned by an external field, and we find a rich phase diagram as a function of the angle of this field exhibiting quantum phase transitions between solid, superfluid, and supersolid phases. In the low energy limit, the model turns out to be identical to one describing quasi-one-dimensional superconductivity in condensed matter systems. This opens the possibility of using bosons as a quantum analog simulator of electronic systems, a scenario arising from the intricate relation between statistics and interactions in quasi-one-dimensional systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Improvements to the AMOEBA Force Field by Introducing Anisotropic Atomic Polarizability of the Water Molecule

Here in this work, we have developed an anisotropic polarizable model for the AMOEBA force field that is derived from electrostatic fitting on a gas phase water molecule as the primary approach to improve the many-body polarization model. We validate our approach using small to large water cluster benchmark data sets and ambient liquid water properties and through comparisons to a variational energy decomposition analysis breakdown of molecular interactions for water and water–ion trimer systems. We find that the accounting of anisotropy polarization for a single water molecule demonstrably improves the description of the many-body polarization energy in all cases. This study provides a proof of principle for extending our protocol for developing a general purpose anisotropic polarizable force field for other biological and material functional groups to better describe complex and asymmetric environments for which accurate polarization models are most needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Combustion of 10–100 μm aluminum droplets in detonation products gases

Here we describe a two-phase model of combustion effects in aluminized high explosive (HE) charges. It is based on: (i) a Gas Dynamic Model of the expansion of the detonation product gases and their turbulent combustion with air; and (ii) a Heterogeneous Continuum Model of aluminum (Al) droplets and their combustion with the detonation product gases. Initial conditions are based on an analytical similarity solution for a cylindrical Chapman-Jouguet (CJ) detonation propagating at the CJ detonation velocity. The CJ jump conditions are computed at the thermodynamic equilibrium state by the Cheetah code, assuming the Al droplets are inert. We assume that the Al is 10 % of the charge mass and occurs as droplets at the CJ state. Different initial droplet diameters, ranging from 10 to 100 microns, are studied. A hydrodynamic combustion model based on large Damköhler numbers is employed in this study, -3σ(1 + 0.276 $\sqrt{Re}$)/($Kd^2_w$). It has a square-root dependence on the Reynolds number (Re) and inversed-squared dependence on the droplet diameter (d w ). The burnout time (t B ) of the Al droplets has a three-halves dependence on the droplet diameter, t B ~ ($d^0_w$) 3/2 . After burnout, the detonation products act as detonation products of the HE charge with active Al. They turbulently mix with air and form a combustion layer on the outer edge of the fireball. Details of the two-phase model, initial conditions and evolution of the flow field will be described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗