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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Mapping the Temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage

We explore the kinetic processes that sustain equilibrium in a microscopic, finite system. This is accomplished by monitoring the spontaneous, time-dependent frequency evolution (the frequency autocorrelation) of a single OH oscillator, embedded in a water cluster held in a temperature-controlled ion trap. The measurements are carried out by applying two-color, IR-IR photodissociation mass spectrometry to the D3O+?(HDO)(D2O)19 isotopologue of the “magic number” protonated water cluster, H+?(H2O)21. The OH group can occupy any one of the five spectroscopically distinct sites in the distorted pentagonal dodecahedron cage structure. The OH frequency is observed to evolve over tens of milliseconds in the temperature range (90-120 K). Starting at 100 K, large “jumps” are observed between two OH frequencies separated by ~300 cm-1 indicating migration of the OH group from the bound OH site at 3350 cm-1 to the free position at 3686 cm-1. Increasing the temperature to 110 K leads to partial interconversion among many sites. All sites are observed to interconvert at 120 K such that the distribution of the unique OH group among them adopts the form one would expect for a canonical ensemble. The spectral dynamics displayed by the clusters thus offer an unprecedented view into the molecular-level processes that drive spectral diffusion in an extended network of water molecules.

Yang, Nan↗
DOE OSTI2024

Structure of saguaro cactus virus 3′ translational enhancer mimics 5′ cap for eIF4E binding

The genomes of several plant viruses contain RNA structures at their 3' ends called cap-independent translation enhancers (CITEs) that bind the host protein factors such as mRNA 5' cap-binding protein eIF4E for promoting cap-independent genome translation. However, the structural basis of such 5' cap-binding protein recognition by the uncapped RNA remains largely unknown. Here, we have determined the crystal structure of a 3' CITE, panicum mosaic virus-like translation enhancer (PTE) from the saguaro cactus virus (SCV), using a Fab crystallization chaperone. The PTE RNA folds into a three-way junction architecture with a pseudoknot between the purine-rich R domain and pyrimidine-rich Y domain, which organizes the overall structure to protrude out a specific guanine nucleotide, G18, from the R domain that comprises a major interaction site for the eIF4E binding. The superimposable crystal structures of the wild-type, G18A, G18C, and G18U mutants suggest that the PTE scaffold is preorganized with the flipped-out G18 ready to dock into the eIF4E 5' cap-binding pocket. The binding studies with wheat and human eIF4Es using gel electrophoresis and isothermal titration calorimetry, and molecular docking computation for the PTE–eIF4E complex demonstrated that the PTE structure essentially mimics the mRNA 5' cap for eIF4E binding. Such 5' cap mimicry by the uncapped and structured viral RNA highlights how viruses can exploit RNA structures to mimic the host protein-binding partners and bypass the canonical mechanisms for their genome translation, providing opportunities for a better understanding of virus-host interactions and non-canonical translation mechanisms found in many pathogenic RNA viruses.

3' cap-independent translation enhancers↗
DOE OSTI2025

Toward Verification of RANS Simulations of the T-Tube Modular Divertor Using Large Eddy Simulations of Impinging Turbulent Plane Jets

Turbulent impinging jets have been proposed to cool high heat flux plasma-facing components such as the solid tungsten target plates of the divertor in long-pulse magnetic fusion energy reactors. In particular, the T-tube modular divertor, originally developed by the ARIES Team, consists of two concentric cylindrical tubes where helium flows through a slot in the inner tube, forming an approximately planar jet that impinges upon and cools the inner surface of the pressure boundary (namely, the outer tube) and the ~15-cm 2 plasma-facing W target. The objective of this work is to demonstrate that large eddy simulations (LESs) accurately simulate the thermal transport in canonical flows that comprise the cooling flow in the T-tube, as well as validate temperatures from LES with experimental measurements in a simplified T-tube geometry. Wall‑resolved LESs, validated by experimental data and verified by direct numerical simulations (DNSs), provide benchmark data for two canonical flows in the T‑tube, namely, planar impinging and wall jets, for Reynolds numbers Re B = 4 × 10 3 to 2 × 10 4 . Our LES results are within 4% to 12% root-mean-square error (RMSE) of surface Nusselt number distributions (Nu) from experiments and DNSs. The validated LES results are then used as the ground truth to evaluate four Reynolds‑averaged Navier-Stokes (RANS) turbulence closures, namely, the k‑ω SST, realizable k‑ε, GEKO, and γ‑SST models. The k‑ω SST model has the best overall performance in terms of heat transfer, giving surface Nu within 12% RMSE of the LES results for high‑ReB impinging jets and reduced overprediction in the wall‑jet region. The GEKO model with default constants has the next best performance, providing slightly better Nu predictions for low ReB impinging jets (versus k-ω SST) but worse overall performance over the full range of ReB studied here. The realizable k‑ε turbulence model significantly overestimates turbulence near the stagnation point, while the γ‑SST model suppresses near‑wall production, biasing the simulations toward simulating laminar surface heat transfer. Simulations of the simplified T‑tube show that LES and RANS simulations with the k‑ω SST model give nearly identical average heat transfer coefficients (HTCs) over the impingement surface. The realizable k‑ε model predicts significantly lower wall temperatures due to overestimation of HTC in the outlet flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Non-universal stellar initial mass functions: large uncertainties in star formation rates at z ≈ 2–4 and other astrophysical probes

ABSTRACT We explore the assumption, widely used in many astrophysical calculations, that the stellar initial mass function (IMF) is universal across all galaxies. By considering both a canonical broken-power-law IMF and a non-universal IMF, we are able to compare the effect of different IMFs on multiple observables and derived quantities in astrophysics. Specifically, we consider a non-universal IMF that varies as a function of the local star formation rate, and explore the effects on the star formation rate density (SFRD), the extragalactic background light, the supernova (both core-collapse and thermonuclear) rates, and the diffuse supernova neutrino background. Our most interesting result is that our adopted varying IMF leads to much greater uncertainty on the SFRD at $z \approx 2-4$ than is usually assumed. Indeed, we find an SFRD (inferred using observed galaxy luminosity distributions) that is a factor of $\gtrsim 3$ lower than canonical results obtained using a universal IMF. Secondly, the non-universal IMF we explore implies a reduction in the supernova core-collapse rate of a factor of $\sim 2$, compared against a universal IMF. The other potential tracers are only slightly affected by changes to the properties of the IMF. We find that currently available data do not provide a clear preference for universal or non-universal IMF. However, improvements to measurements of the star formation rate and core-collapse supernova rate at redshifts $z \gtrsim 2$ may offer the best prospects for discernment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

DXO/Rai1 enzymes remove 5′-end FAD and dephospho-CoA caps on RNAs

Abstract In eukaryotes, the DXO/Rai1 enzymes can eliminate most of the incomplete and non-canonical NAD caps through their decapping, deNADding and pyrophosphohydrolase activities. Here, we report that these enzymes can also remove FAD and dephospho-CoA (dpCoA) non-canonical caps from RNA, and we have named these activities deFADding and deCoAping. The crystal structures of mammalian DXO with 3′-FADP or CoA and fission yeast Rai1 with 3′-FADP provide elegant insight to these activities. FAD and CoA are accommodated in the DXO/Rai1 active site by adopting folded conformations. The flavin of FAD and the pantetheine group of CoA contact the same region at the bottom of the active site tunnel, which undergoes conformational changes to accommodate the different cap moieties. We have developed FAD-capQ to detect and quantify FAD-capped RNAs and determined that FAD caps are present on short RNAs (with less than ∼200 nucleotides) in human cells and that these RNAs are stabilized in the absence of DXO.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Uncovering translation roadblocks during the development of a synthetic tRNA

Ribosomes are remarkable in their malleability to accept diverse aminoacyl-tRNA substrates from both the same organism and other organisms or domains of life. This is a critical feature of the ribosome that allows the use of orthogonal translation systems for genetic code expansion. Optimization of these orthogonal translation systems generally involves focusing on the compatibility of the tRNA, aminoacyl-tRNA synthetase, and a non-canonical amino acid with each other. As we expand the diversity of tRNAs used to include non-canonical structures, the question arises as to the tRNA suitability on the ribosome. Specifically, we investigated the ribosomal translation of allo-tRNA UTu1 , a uniquely shaped (9/3) tRNA exploited for site-specific selenocysteine insertion, using single-molecule fluorescence. With this technique we identified ribosomal disassembly occurring from translocation of allo-tRNA UTu1 from the A to the P site. Using cryo-EM to capture the tRNA on the ribosome, we pinpointed a distinct tertiary interaction preventing fluid translocation. Through a single nucleotide mutation, we disrupted this tertiary interaction and relieved the translation roadblock. With the continued diversification of genetic code expansion, our work highlights a targeted approach to optimize translation by distinct tRNAs as they move through the ribosome.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Edge Reconstruction in a Quantum Spin Hall Insulator

We study interaction-driven edge reconstruction in a quantum spin Hall insulator described by the Bernevig-Hughes-Zhang model with Kanamori-Hubbard interactions using the real-space density matrix renormalization group method in both the grand-canonical and canonical ensembles. For a two-dimensional cylinder with a smooth edge, we identify discrete particle-number transitions that lead to a spin-polarized edge state stabilized by an emergent ferromagnetic exchange interaction. The reconstruction is orbital-selective, occurring predominantly in the 𝑠-orbital channel. Our results reveal a microscopic mechanism for emergent fluctuating moments at the edge that could compromise the topological protection of helical edge states by time-reversal symmetry.

Soni, Rahul [ORNL] (ORCID:0000000317714299)↗
DOE OSTI2026

Direct estimation of the density of states for fermionic systems

Simulating time evolution is one of the most natural applications of quantum computers and is thus one of the most promising prospects for achieving practical quantum advantage. Here, we develop quantum algorithms to extract thermodynamic properties by estimating the density of states (DOS), which is a central object in quantum statistical mechanics. We introduce several key innovations that significantly improve the practicality and extend the generality of previous techniques. First, our approach allows one to estimate the DOS only for a specific subspace of the full Hilbert space. This is crucial for fermionic systems, since both canonical and grand canonical ensemble thermal equilibrium properties depend on subspaces of fixed number. Second, in our approach, by time evolving very simple, random initial states, such as randomly chosen computational basis states, we can exactly recover the DOS on average. Third, due to circuit-depth limitations, we only reconstruct the DOS up to a convolution with a Gaussian window—thus all imperfections that shift the energy levels by less than the width of the convolution window will not significantly affect the estimated DOS. For these reasons, we find the approach is a promising candidate for early quantum advantage as even short-time, noisy dynamics can yield a semiquantitative reconstruction of the DOS (convolution with a broad Gaussian window), while early fault-tolerant devices will likely enable higher-resolution DOS reconstruction through longer time evolutions. We demonstrate the practicality of our approach in representative Fermi-Hubbard and spin models and indeed find that our approach is highly robust against algorithmic errors in the time evolution and against gate noise. We further demonstrate that our approach is compatible with noisy intermediate-scale quantum (NISQ) computing NISQ-friendly variational techniques, introducing and leveraging a technique for variational time evolution.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Low-temperature breakdown of many-body perturbation theory for thermodynamics

It is shown analytically and numerically that the finite-temperature many-body perturbation theory in the grand canonical ensemble has zero radius of convergence at zero temperature when the energy ordering or degree of degeneracy for the ground state changes with the perturbation strength. When the degeneracy of the reference state is partially or fully lifted at the first-order Hirschfelder-Certain degenerate perturbation theory, the grand potential and internal energy diverge as T → 0. Contrary to earlier suggestions of renormalizability by the chemical potential μ, this nonconvergence, first suspected by W. Kohn and J. M. Luttinger, is caused by the nonanalytic nature of the Boltzmann factor e –E/k e T at T = 0, also plaguing the canonical ensemble, which does not involve chemical potential. The finding reveals a fundamental flaw in perturbation theory, which is deeply rooted in the mathematical limitation of power-series expansions and is unlikely to be removed within its framework.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Energy dependence of light hypernuclei production in heavy-ion collisions from a coalescence and statistical-thermal model perspective

A comparison of light hypernuclei production, from Ultra-relativistic Quantum Molecular Dynamics (UrQMD)+coalescence and the thermal model, in heavy ion collisions over a wide range of beam energies and system sizes is presented. We find that both approaches provide generally similar results, with differences in specific details. Especially the ratios of hypertriton to Λ are affected by both the source radius Δr of the coalescence procedure as well as canonical effects. On the other hand, the double ratio S 3 is almost independent of canonical effects, which is in contrast to coalescence. Thus, both the beam energy dependence and centrality dependence of S 3 can be used to constrain the hypertriton source radius. To do so the currently available data are not yet sufficient. Elliptic flow is shown to be unaffected by the source size of the nuclei and an almost perfect mass scaling of the elliptic flow is observed. Furthermore, our predictions further suggest that the existence of the H-dibaryon(ΛΛ) seems ruled out by ALICE data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Testing H 0 in Acoustic Dark Energy with Planck and ACT Polarization

The canonical acoustic dark energy model (cADE), which is based on a scalar field with a canonical kinetic term that rapidly converts potential to kinetic energy around matter radiation equality, alleviates the Hubble tension found in ΛCDM. Here, we show that it successfully passes new consistency tests in the CMB damping tail provided by the ACT data, while being increasingly constrained and distinguished from alternate mechanisms by the improved CMB acoustic polarization data from Planck. The best fit cADE model to a suite of cosmological observations, including the SH0ES H 0 measurement, has H 0 = 70.25 compared with 68.23 (km s –1 Mpc –1 ) in ΛCDM and a finite cADE component is preferred at the 2.8σ level. The ability to raise H0 is now mainly constrained by the improved Planck acoustic polarization data, which also plays a crucial role in distinguishing cADE from the wider class of early dark energy models. ACT and Planck TE polarization data are currently mildly discrepant in normalization and drive correspondingly different preferences in parameters. Improved constraints on intermediate scale polarization approaching the cosmic variance limit will be an incisive test of the acoustic dynamics of these models and their alternatives.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Modeling stochastic fluctuations in relativistic kinetic theory

Using the information current, we develop a Lorentz-covariant framework for modeling equilibrium fluctuations in relativistic kinetic theory in the grand-canonical ensemble. The resulting stochastic theory is proven to be causal and covariantly stable, and its predictions do not depend on the choice of spacetime foliation used to define the grand-canonical probabilities. As expected, in a box containing N > 5 particles, Boltzmann’s molecular chaos postulate is broken with (almost exact) probability N -1/2 , leading to a breakdown of the Boltzmann equation in small systems. Here, we also verify that, in ultrarelativistic gases, transient hydrodynamics already accounts for at least 80% of the equilibrium fluctuations of the stress-energy tensor at a given time. Finally, we compute the correlators at nonequal times for two selected collision kernels: that of a chemically active diluted solution, and that of ultrarelativistic scalar particles self-interacting via a quartic potential. For the former, we compute the density-density correlators analytically in real space, and dehydrodynamization of the stochastic theory is proven to occur whenever the mean free path diverges at high energy.

Astronomy & Astrophysics↗
DOE OSTI2024

Quantifying scalar field dynamics with DESI 2024 Y1 BAO measurements

Quintessence scalar fields are a natural candidate for evolving dark energy. Unlike the phenomenological w 0 ⁢w a parameterization of the dark energy equation of state, they cannot accommodate the phantom regime of dark energy w⁡(z) <–1, or crossings into the phantom regime. Recent baryon acoustic oscillation (BAO) measurements by the Dark Energy Spectroscopic Instrument (DESI) indicate a preference for evolving dark energy over a cosmological constant, ranging from 2.6⁢σ –3.9⁢σ when fitting to w 0⁢ w a , and combining the DESI BAO measurements with other cosmological probes. In this work, we directly fit three simple scalar field models to the DESI BAO data, combined with cosmic microwave background anisotropy measurements and supernova datasets. We find the best fit model to include a 2–4% kinetic scalar field energy Ω scf,k , for a canonical scalar field with a quadratic or linear potential. However, only the DESY-Y5 supernova dataset combination shows a preference for quintessence over Λ cold dark matter (CDM) at the 95% confidence level. Fitting to the supernova datasets Pantheon, Pantheon+, DES-Y5, and Union3, we show that the mild tension (n σ < 3.4) under Λ ⁢CDM emerges from a BAO preference for smaller values of fractional mass-energy density Ω m < 0.29, while all supernova datasets, except for Pantheon, prefer larger values, Ω m > 0.3. The tension under Λ ⁢CDM remains noticeable (n σ < 2.8), when replacing two of the DESI BAO redshift bins with effective redshifts z eff = 0.51, and z eff = 0.706 with comparable BOSS DR 12 BAO measurements at z eff = 0.51, and z eff = 0.61. Furthermore, canonical scalar fields as dark energy are successful in mitigating that tension.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Realizable hyperuniform and nonhyperuniform particle configurations with targeted spectral functions via effective pair interactions

The capacity to identify realizable many-body configurations associated with targeted functional forms for the pair correlation function $g_2(r)$ or its corresponding structure factor $\textit{S(k)}$ is of great fundamental and practical importance. While there are obvious necessary conditions that a prescribed structure factor at number density ρ must satisfy to be configurationally realizable, sufficient conditions are generally not known due to the infinite degeneracy of configurations with different higher-order correlation functions. A major aim of this paper is to expand our theoretical knowledge of the class of pair correlation functions or structure factors that are realizable by classical disordered ensembles of particle configurations, including exotic “hyperuniform” varieties. We first introduce a theoretical formalism that provides a means to draw classical particle configurations from canonical ensembles with certain pairwise-additive potentials that could correspond to targeted analytical functional forms for the structure factor. This formulation enables us to devise an improved algorithm to construct systematically canonical-ensemble particle configurations with such targeted pair statistics, whenever realizable. As a proof of concept, we test the algorithm by targeting several different structure factors across dimensions that are known to be realizable and one hyperuniform target that is known to be nontrivially unrealizable. Our algorithm succeeds for all realizable targets and appropriately fails for the unrealizable target, demonstrating the accuracy and power of the method to numerically investigate the realizability problem. Subsequently, we also target several families of structure-factor functions that meet the known necessary realizability conditions but are not known to be realizable by disordered hyperuniform point configurations, including $\textit{d}$-dimensional Gaussian structure factors, $\textit{d}$-dimensional generalizations of the two-dimensional one-component plasma (OCP), and the $\textit{d}$-dimensional Fourier duals of the previous OCP cases. Moreover, we also explore unusual nonhyperuniform targets, including “hyposurficial” and “antihyperuniform” examples. In all of these instances, the targeted structure factors are achieved with high accuracy, suggesting that they are indeed realizable by equilibrium configurations with pairwise interactions at positive temperatures. Remarkably, we also show that the structure factor of nonequilibrium perfect glass, specified by two-, three-, and four-body interactions, can also be realized by equilibrium pair interactions at positive temperatures. In this work, our findings lead us to the conjecture that any realizable structure factor corresponding to either a translationally invariant equilibrium or nonequilibrium system can be attained by an equilibrium ensemble involving only effective pair interactions. Our investigation not only broadens our knowledge of analytical functional forms for $g_2(r)$ and $\textit{S(k)}$ associated with disordered point configurations across dimensions but also deepens our understanding of many-body physics. Moreover, our work can be applied to the design of materials with desirable physical properties that can be tuned by their pair statistics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Modal analysis of the behavior of inertial particles in turbulence subjected to Stokes drag

The clustering of small heavy inertial particles subjected to Stokes drag in turbulence, which is the concern of present study, is known to be minimal at small and large Stokes number and substantial at St = $\textit{O}$(1). This nonmonotonic trend, which has been shown computationally and experimentally, is yet to be explained analytically. In this study, we obtain an analytical expression for the Lyapunov exponents that quantitatively predicts this trend. The sum of the exponents, which is the normalized rate of change of the signed volume of a small cloud of particles, is correctly predicted to be negative and positive at small and large Stokes numbers, respectively, asymptoting to $\textit{τQ}$ as $\textit{τ}$ → 0 and $τ^{–1/2}|Q|^{1/4}$ as $\textit{τ} → ∞$, where $\textit{τ}$ is the particle relaxation time and $\textit{Q(τ)}$ is the difference between the norm of the rotation- and strain-rate tensors computed along the particle trajectory, which remains negative at all $\textit{τ}$ in turbulent flows. Additionally, the trajectory crossing is predicted only in hyperbolic flows where Q < 0 for sufficiently inertial particles with a $\textit{τ}$ that scales with $|Q|^{–1/2}$. Following the onset of crossovers, a transition from clustering to dispersion is predicted correctly. We show these behaviors are not unique to three-dimensional isotropic turbulence and can be reproduced closely by a one-dimensional mono-harmonic flow, which appears as a fundamental canonical problem in the study of particle clustering. Analysis of this one-dimensional canonical flow shows that the rate of clustering, quantified as the product of the Lyapunov exponent and particle relaxation time, is bounded by –1/2, behaving with extreme nonlinearity in the hyperbolic flows and always remaining positive in the elliptic flows. Finally, this model problem also confirms that dispersion in a hyperbolic flow will occur only if particles' trajectory cross. These findings, which stem from our analysis, are corroborated by the direct numerical simulations.

42 ENGINEERING↗
DOE OSTI2020

Probabilistic neural networks for fluid flow surrogate modeling and data recovery

We consider the use of probabilistic neural networks for fluid flow surrogate modeling and data recovery. This framework is constructed by assuming that the target variables are sampled from a Gaussian distribution conditioned on the inputs. Consequently, the overall formulation sets up a procedure to predict the hyperparameters of this distribution which are then used to compute an objective function given training data. We demonstrate that this framework has the ability to provide for prediction confidence intervals based on the assumption of a probabilistic posterior, given an appropriate model architecture and adequate training data. The applicability of the present framework to cases with noisy measurements and limited observations is also assessed. To demonstrate the capabilities of this framework, we consider canonical regression problems of fluid dynamics from the viewpoint of reduced-order modeling and spatial data recovery for four canonical data sets. The examples considered in this study arise from (i) the shallow-water equations, (ii) a two-dimensional cylinder flow, (iii) the wake of a NACA0012 airfoil with a Gurney flap, and (iv) the NOAA sea surface temperature data set. Furthermore, the present results indicate that the probabilistic neural network not only produces a machine-learning-based fluid flow surrogate model but also systematically quantifies the uncertainty therein to assist with model interpretability.

42 ENGINEERING↗
DOE OSTI2022

Non-Boussinesq subgrid-scale model with dynamic tensorial coefficients

A major drawback of Boussinesq-type subgrid-scale stress models used in large-eddy simulations is the inherent assumption of alignment between large-scale strain rates and filtered subgrid-stresses. A priori analyses using direct numerical simulation (DNS) data have shown that this assumption is invalid locally as subgrid-scale stresses are poorly correlated with the large-scale strain rates [J. Bardina, J. Ferziger, and W. Reynolds, Improved subgrid-scale models for large-eddy simulation, in Proceedings of the 13th Fluid and Plasmadynamics Conference, AIAA (1980); C. Meneveau and K. Katz, Scale-invariance and turbulence models for large-eddy simulation, Ann. Rev. Fluid Mech. 32, 1 (2000)]. In the present work, a new, non-Boussinesq subgrid-scale model is presented where the model coefficients are computed dynamically. Some previous non-Boussinesq models have observed issues in providing adequate dissipation of turbulent kinetic energy [e.g., Bardina et al., Proceedings of the 13th Fluid and Plasmadynamics Conference (1980); R. A. Clark, J. Ferziger, and W.C. Reynolds. Evaluation of subgrid-scale models using an accurately simulated turbulent flow, J. Fluid Mech. 91, 1 (1979); S. Stolz and N. A. Adams, An approximate deconvolution procedure for large-eddy simulation, Phys. Fluids 11, 1699 (1999)]; however, the present model is shown to provide sufficient dissipation using dynamic coefficients. Modeled subgrid-scale Reynolds stresses satisfy the consistency requirements of the governing equations for large-eddy simulation (LES), vanish in laminar flow and at solid boundaries, and have the correct asymptotic behavior in the near-wall region of a turbulent boundary layer. The new model, referred to as the dynamic tensor-coefficient Smagorinsky model (DTCSM), has been tested in simulations of canonical flows: decaying and forced homogeneous isotropic turbulence, and wall-modeled turbulent channel flow at high Reynolds numbers. The results show favorable agreement with DNS data. It has been shown that DTCSM offers similar predictive capabilities as the dynamic Smagorinsky model for canonical flows. In order to assess the performance of DTCSM in more complex flows, wall-modeled simulations of high Reynolds number flow over a Gaussian bump (Boeing speed bump) exhibiting smooth-body flow separation are performed. Predictions of surface pressure and skin friction, compared against DNS and experimental data, show improved accuracy from DTCSM in comparison to existing static coefficient (Vreman) and dynamic Smagorinsky model. The computational cost of performing LES with this model is up to 15% higher than the dynamic Smagorinsky model.

42 ENGINEERING↗
DOE OSTI2020

Pairing Correlations across the Superfluid Phase Transition in the Unitary Fermi Gas

In the two-component Fermi gas with a contact interaction, a pseudogap regime can exist at temperatures between the superfluid critical temperature $T_c$ and a temperature $T^\ast > T_c$. This regime is characterized by pairing correlations without superfluidity. However, in the unitary limit of infinite scattering length, the existence of this regime is still debated. To help address this, we have applied finite-temperature auxiliary-field quantum Monte Carlo (AFMC) methods to study the thermodynamics of the superfluid phase transition and signatures of the pseudogap in the spin-balanced homogeneous unitary Fermi gas. We present results at finite filling factor $\textit{ν}$ ≃ 0.06 for the condensate fraction, an energy-staggering pairing gap, the spin susceptibility, and the heat capacity, and compare them to experimental data when available. In contrast to previous AFMC simulations, our model space consists of the complete first Brillouin zone of the lattice, and our calculations are performed in the canonical ensemble of fixed particle number. The canonical ensemble AFMC framework enables the calculation of a model-independent gap, providing direct information on pairing correlations without the need for numerical analytic continuation. We use finite-size scaling to estimate $T_c$ at the corresponding filling factor. In this work, we find that the energy-staggering pairing gap vanishes above $T_c$, showing no pseudogap effects, and that the spin susceptibility shows a substantially reduced signature of a spin gap compared to previously reported AFMC simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗