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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 307 records · Page 17

Dark matter halo mass functions and density profiles from mass and energy cascade

Abstract Halo abundance and structure play a central role for modeling structure formation and evolution. Without relying on a spherical or ellipsoidal collapse model, we analytically derive the halo mass function and cuspy halo density (inner slope of −4/3) based on the mass and energy cascade theory in dark matter flow. The hierarchical halo structure formation leads to halo or particle random walk with a position-dependent waiting time $$\tau _g$$ τ g . First, the inverse mass cascade from small to large scales leads to the halo random walk in mass space with $$\tau _g\propto m_h^{-\lambda }$$ τ g ∝ m h - λ , where $$m_h$$ m h is the halo mass and $$\lambda$$ λ is a halo geometry parameter with predicted value of 2/3. The corresponding Fokker-Planck solution for halo random walk in mass space gives rise to the halo mass function with a power-law behavior on small scale and exponential decay on large scale. This can be further improved by considering two different $$\lambda$$ λ for haloes below and above a critical mass scale $$m_h^*$$ m h ∗ , i.e. a double- $$\lambda$$ λ halo mass function. Second, a double- $$\gamma$$ γ density profile can be derived based on the particle random walk in 3D space with a position-dependent waiting time $$\tau _g \propto \Phi (r)^{-1} \propto r^{-\gamma }$$ τ g ∝ Φ ( r ) - 1 ∝ r - γ , where $$\Phi$$ Φ is the gravitational potential and r is the particle distance to halo center. Theory predicts $$\gamma =2/3$$ γ = 2 / 3 that leads to a cuspy density profile with an inner slope of −4/3, consistent with the predicted scaling laws from energy cascade. The Press-Schechter mass function and Einasto density profile are just special cases of proposed models. The small scale permanence can be identified due to the scale-independent rate of mass and energy cascade, where density profiles of different halo masses and redshifts converge to the $$-4/3$$ - 4 / 3 scaling law ( $$\rho _h \propto r^{-4/3}$$ ρ h ∝ r - 4 / 3 ) on small scales. Theory predicts the halo number density scales with halo mass as $$\propto m_h^{-1.9}$$ ∝ m h - 1.9 , while the halo mass density scales as $$\propto m_h^{4/9}$$ ∝ m h 4 / 9 . Results were compared against the Illustris simulations. This new perspective provides a theory for nearly universal halo mass functions and density profiles.

79 ASTRONOMY AND ASTROPHYSICS↗

A deep learning upscaling framework: Reactive transport and mineral precipitation in fracture-matrix systems

Pore-scale modeling has limited applicability at large scales due to its high computational cost. One common approach to upscale pore-scale models is the use of effective medium theories, which homogenize small-scale features in a porous structure and characterize the medium by macroscale properties (e.g., permeability) and equations (e.g., Darcy’s law). However, there are classes of physical processes for which effective medium approximations may become inaccurate, e.g., mineral precipitation and clogging during reactive transport. We have developed a deep learning upscaling framework, in which pore-scale modeling is directly employed in macroscale systems, without relying on effective medium approximations. The upscaling framework is first developed for general multiscale systems and then applied to modeling reactive transport with mineral precipitation in the altered layer in fracture-matrix structures. Solute transport from the fractures to the matrix is modeled as a wall boundary condition for the fractures, which, in turn, is predicted by recurrent neural networks using the concentration histories at the fracture-matrix boundary. Specifically, we consider a meter-scale fracture network embedded in sandstones, where the smallest feature is at the micron scale. Here the proposed framework allows us to span five orders of magnitude in length scales by capturing mineral precipitation in the altered layer of the rock matrix at the pore scale across the entire meter-scale fracture network.

42 ENGINEERING↗

Mathematical theory of a relaxed design problem in structural optimization

Various attempts have been made to construct a rigorous mathematical theory of optimization for size, shape, and topology (i.e. layout) of an elastic structure. If these are represented by a finite number of parametric functions, as Armand described, it is possible to construct an existence theory of the optimum design using compactness argument in a finite dimensional design space or a closed admissible set of a finite dimensional design space. However, if the admissible design set is a subset of non-reflexive Banach space such as L(sup infinity)(Omega), construction of the existence theory of the optimum design becomes suddenly difficult and requires to extend (i.e. generalize) the design problem to much more wider class of design that is compatible to mechanics of structures in the sense of variational principle. Starting from the study by Cheng and Olhoff, Lurie, Cherkaev, and Fedorov introduced a new concept of convergence of design variables in a generalized sense and construct the 'G-Closure' theory of an extended (relaxed) optimum design problem. A similar attempt, but independent in large extent, can also be found in Kohn and Strang in which the shape and topology optimization problem is relaxed to allow to use of perforated composites rather than restricting it to usual solid structures. An identical idea is also stated in Murat and Tartar using the notion of the homogenization theory. That is, introducing possibility of micro-scale perforation together with the theory of homogenization, the optimum design problem is relaxed to construct its mathematical theory. It is also noted that this type of relaxed design problem is perfectly matched to the variational principle in structural mechanics.

Kikuchi, Noboru↗

Proportional and scale change models to project failures of mechanical components with applications to space station

In this paper we develop the mathematical theory of proportional and scale change models to perform reliability analysis. The results obtained will be applied for the Reaction Control System (RCS) thruster valves on an orbiter. With the advent of extended EVA's associated with PROX OPS (ISSA & MIR), and docking, the loss of a thruster valve now takes on an expanded safety significance. Previous studies assume a homogeneous population of components with each component having the same failure rate. However, as various components experience different stresses and are exposed to different environments, their failure rates change with time. In this paper we model the reliability of a thruster valves by treating these valves as a censored repairable system. The model for each valve will take the form of a nonhomogeneous process with the intensity function that is either treated as a proportional hazard model, or a scale change random effects hazard model. Each component has an associated z, an independent realization of the random variable Z from a distribution G(z). This unobserved quantity z can be used to describe heterogeneity systematically. For various models methods for estimating the model parameters using censored data will be developed. Available field data (from previously flown flights) is from non-renewable systems. The estimated failure rate using such data will need to be modified for renewable systems such as thruster valve.

Taneja, Vidya S.↗

Towards Digital and Performance-Based Supervisory HVAC Control Delivery

Upgrading supervisory HVAC control in commercial buildings is one of the most attractive decarbonization tools at our disposal. Modern controls are software programs and can in theory be deployed at scale and with a low up-front carbon "pulse". In practice, however, control delivery is a disjointed and inefficient process, dominated by manual handoffs of imprecise English language documents. A particularly high barrier exists between control implementation and building energy modeling (BEM) which results in control sequences typically not being tested for correctness or performance before implementation. Together with industry partners, DOE and the national labs are developing an ecosystem of tools and standards that can support fully digital performance-based control delivery workflows. This paper describes this ecosystem, which consists of three mutually supportive efforts. Semantic models of buildings and their systems enable automatic configuration and installation of control software. Platform-neutral control descriptions separate control algorithms from control platforms and enable the creation of libraries of reference control implementations. Dynamic whole-building energy-control simulation that can execute physically realistic control sequences makes it possible to test and evaluate the performance of control sequences and then directly compile them for installation and execution in control systems. In addition to digitizing and streamlining project-level control delivery, these standards and related software support benchmarking of control algorithms, both rule-based and optimization-based, and help to both advance the state of the art and to implement ratings and programs that encourage the adoption of high-performance control.

building controls↗

Forces from Stochastic Density Functional Theory under Nonorthogonal Atom-Centered Basis Sets

We develop a formalism for calculating forces on the nuclei within the linear-scaling stochastic density functional theory (sDFT) in a nonorthogonal atom-centered basis set representation (Fabian et al. Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2019, 9, e1412, 10.1002/wcms.1412) and apply it to the Tryptophan Zipper 2 (Trp-zip2) peptide solvated in water. We use an embedded-fragment approach to reduce the statistical errors (fluctuation and systematic bias), where the entire peptide is the main fragment and the remaining 425 water molecules are grouped into small fragments. We analyze the magnitude of the statistical errors in the forces and find that the systematic bias is of the order of 0.065 eV/Å (~1.2 × 10 -3 E h / a 0 ) when 120 stochastic orbitals are used, independently of system size. This magnitude of bias is sufficiently small to ensure that the bond lengths estimated by stochastic DFT (within a Langevin molecular dynamics simulation) will deviate by less than 1% from those predicted by a deterministic calculation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Large-scale motions of the tropics in observations and theory

Charney (1963) characterized the tropical atmosphere in terms of a superposition of large regions of nearly nondivergent circulations containing local subdomains, or 'fissures', of active convection and latent heating. Tropical wave evolution is then appropriately treated in terms of quasi-rotational waves, to the extent that the divergent contribution is small. An attempt is presently made to interpret recent tropical analyses in the aforementioned terms, suggesting extensions of the simplest quasi-rotational model capable of reconciling observations and theory. First GARP Global Experiment (FGGE) observations suggest that strongly divergent local tropical circulations are forced by latent heating and produce important direct modifications of the total wind field; after describing the extent to which the resulting field consists of divergent and rotational components in different analyses of the FGGE data, independent supporting documentation of the results in terms of heating estimates and rainfall observations are given.

Paegle, J.↗

Large-scale flows and solar luminosity variations

The influence of a variation of the large-scale flows present in the solar convection zone on solar luminosity is examined. The convection zone is modeled as a plane-parallel fluid layer through which heat is transported by small-scale convection as described by the mixing-length theory, and the large-scale flow is treated as a small perturbation superposed on the layer. The excess energy transported by the flow is calculated and is found to depend critically on the mixing length. The excess luminosity is found to be carried as small-scale convective heat flow rather than bulk enthalpy transport throughout all but the top few percent of the convection zone. The results are applied to the specific examples of supergranules and giant cells.

Arendt, S.↗

Heavy quark transport: a theoretical overview

A brief overview on heavy-quark-QGP interactions is presented in this work. Theories at different momentum scales are summarized, including the flavor hierarchy of jet energy loss at high pT, hadronization and the charmed hadron chemistry at medium to low pT, and the extraction of the heavy-quark-QGP potential at low pT. Additionally, recent theoretical developments on heavy quark theories are discussed, such as multi-scale transport models of heavy quarks, probing initial state effects and cold nuclear matter effects using heavy quarks, as well as extending studies from single heavy flavor hadrons to heavy flavor jets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Scaling Turbulent Combustion Fields in Explosions

We considered the topic of explosions from spherical high-explosive (HE) charges. We studied how the turbulent combustion fields scale. On the basis of theories of dimensional analysis by Bridgman and similarity theories of Sedov and Barenblatt, we found that all fields scaled with the explosion length scale r0. This included the blast wave, the mean and root mean squared (RMS) profiles of thermodynamic variables, combustion variables, velocities, vorticity, and turbulent Reynolds stresses. This was a consequence of the formulation of the problem and our numerical method, which both satisfied the similarity conditions of Sedov. We performed numerical simulations of 1 g charges and 1 kg charges; the solutions were identical (within roundoff error) when plotted in scaled variables. We also explored scaling laws related to three-phase pyrotechnic explosions. We show that although the scaling formally broke down, the fireball still essentially scaled with the explosion length scale r0. However, the discrete Lagrange particles (DLP) (phase 2) and the heterogeneous continuum model (HCM) of the DLP wakes (phase 3) did not scale with r0, and mean and RMS profiles could differ by a factor of 10 in some regions. This was because the DLP particles and wakes introduced an additional scale that broke the similarity conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Degenerate coupled-cluster theory

A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Møller–Plesset perturbation (ΔMP) theory. For ionized and electron-attached references, it is a coupled-cluster Green’s function, although the present theory is convergent toward the full-configuration-interaction limits, while the Feynman–Dyson many-body Green’s function (MBGF) theory generally is not. Its single-excitation instance is a projection Hartree–Fock theory as per the Thouless theorem, which may be useful for core ionizations, high-spin states, and possibly electron affinities. Additionally, a new multireference coupled-cluster theory for a general model space is developed. This quasidegenerate coupled-cluster (QCC) theory is exactly converging, but not black-box, and intended for strong correlation. Determinant-based, general-order algorithms of ΔCC and QCC theories are implemented and compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with ΔMP and MBGF theories up to the nineteenth order. An algebraic, optimal-scaling algorithm of the ΔCC theory is computer-synthesized at the levels of single excitations (ΔCCS) and of single and double excitations (ΔCCSD). As a result, the order of performance is QCC ≈ ΔCC > EOM-CC > CI at the same order or QCC ≈ ΔCC > ΔMP > MBGF at the same cost scaling.

Hirata, So [University of Illinois at Urbana-Champ↗

Zonal flow excitation in electron-scale tokamak turbulence

Abstract The derivation of an intermediate-scale gyrokinetic-electron theory in nonuniform tokamak plasmas (Chen et al 2021 Nucl. Fusion 61 066017 ) has shown that a Navier–Stokes type nonlinearity couples electron-temperature-gradient (ETG) modes and zonal flow (ZF) modes with wavelengths much shorter than the ion gyroradius but much longer than the electron gyroradius. This intermediate-scale ETG-ZF coupling is typically stronger than the Hasegawa–Mima type nonlinearity characteristic of the fluid approximation and is predicted to lead to relevant ZF generation and ETG mode regulation. Electron-scale, continuum, gyrokinetic simulation results are presented here which include both single-mode ETG and full-spectrum ETG turbulence. The ZF generation due to single ETG modes is investigated and the single-mode intermediate-scale results are found to be in agreement with theory. The full-spectrum results are then presented and explained qualitatively in terms of the single-mode results. It is found that the ETG-driven ZFs regulate intermediate-scale electron heat flux transport to levels in the predicted range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scaling Law Describes the Spin-Glass Response in Theory, Experiments, and Simulations

The correlation length ξ, a key quantity in glassy dynamics, can now be precisely measured for spin glasses both in experiments and in simulations. However, known analysis methods lead to discrepancies either for large external fields or close to the glass temperature. We solve this problem by introducing a scaling law that takes into account both the magnetic field and the time-dependent spin-glass correlation length. Here, the scaling law is successfully tested against experimental measurements in a CuMn single crystal and against large-scale simulations on the Janus II dedicated computer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Uniform momentum and temperature zones in unstably stratified turbulent flows

Wall-bounded turbulent flows exhibit a zonal arrangement, in which streamwise velocity organizes into uniform momentum zones (UMZs), separated by thin layers of elevated interfacial shear. While significant research efforts have focused on these structural features in neutrally stratified flows, the effects of unstable thermal stratification on UMZs and on analogous uniform temperature zones (UTZs) have not been considered previously. In this article, statistical properties of UMZs and UTZs are investigated using a suite of large eddy simulations of unstably stratified turbulent channel flow spanning weakly to highly convective conditions. When normalized by the friction velocity and stability-dependent mixing length, the mean velocity gradient based on UMZ interfacial velocity jumps and the vorticity thickness exhibits good collapse for all stabilities, establishing a link between UMZ properties and scaling predictions from Monin–Obukhov similarity theory. A similar relationship is found between UTZ properties and surface-layer scaling of the mean temperature gradient. In the mixed layer, mean UMZ depth is quasi-constant with wall-normal distance, while the deepest UTZs are found in the centre of the boundary layer. These instantaneous structures are found to be linked to the well-mixed velocity and temperature profiles in the convective mixed layer. Conditional averaging indicates that both UMZ and UTZ interfaces are associated with ejections of momentum and warm updrafts below the interface and sweeps of momentum and cool downdrafts above the interface. These results demonstrate a tangible connection between instantaneous structural features, mean properties and scaling laws in unstably stratified flows.

Mechanics↗

Thermal-fluctuation effects on small-scale statistics in turbulent gas flow

Kolmogorov's theory of turbulence assumes that the small-scale turbulent structures in the energy cascade are universal and are determined by the energy dissipation rate and the kinematic viscosity alone. However, thermal fluctuations, absent from the continuum description, terminate the energy cascade near the Kolmogorov length scale. Here, we propose a simple superposition model to account for the effects of thermal fluctuations on small-scale turbulence statistics. Furthermore, for compressible Taylor–Green vortex flow, we demonstrate that the superposition model in conjunction with data from direct numerical simulation of the Navier–Stokes equations yields spectra and structure functions that agree with the corresponding quantities computed from the direct simulation Monte Carlo method of molecular gas dynamics, verifying the importance of thermal fluctuations in the dissipation range.

42 ENGINEERING↗