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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Effect of Impurity Atoms on Thermonuclear Yield

The presence of impurity atoms in an inertial confinement fusion (ICF) implosion can greatly affect the burning of the thermonuclear fuel. This is a serious concern for attaining ignition as high atomic number atoms, such as carbon, can mix into the hot spot and reach the deuterium–tritium (DT) fuel, absorb energy from the implosion, and radiate away that energy. The temperature of the DT fuel drops and reduces the reactivity of the fuel resulting in lower thermonuclear yield. Fuel impurities can also be a useful diagnostic as when higher-Z atoms, such as Ar, Kr, and Xe, are purposefully mixed into the fuel. From the spectra emitted by these atoms, the temperature and density of the fuel can be deduced. The long history of using such tracer atoms by the national ICF program shows the great advances in experimental technique, diagnostic instruments, and atomic-physics modeling over the past 50 years. A particular set of experiments, the “High-Z” campaign, is reviewed in depth as this was the most systematic study of tracer element composition and quantity ever reported. Difficulties in interpreting the results of those experiments due to the limited code capabilities at that time are discussed. A main concern for the High-Z campaign was the then current state of non-Local Thermodynamic Equilibrium (nLTE) atomic physics models. The present state of nLTE modeling and its implementation in Los Alamos’s multi-physics codes is discussed in this report. To further the understanding of the complex interaction of high-Z atoms in the gas, a survey of relevant existing experimental platforms at the National Ignition Facility (NIF) and the Omega Laser Facility are presented along with the current state of pertinent diagnostics at NIF and Omega. This review concludes with a discussion of the trade-off available between temperature and volume of the imploded ICF capsule with the goal of maximizing the total yield.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1982

An investigation of equilibrium concepts

A different approach to modeling of the thermochemistry of rocket engine combustion phenomena is presented. The methodology described is based on the hypothesis of a new variational principle applicable to compressible fluid mechanics. This hypothesis is extended to treat the thermochemical behavior of a reacting (equilibrium) gas in an open system.

Prozan, R. J.↗
DOE OSTI2026

Minimizing the Electromechanical Stresses in Poloidal Field Coils by Optimizing their Numbers and Locations using FREDA Framework

Poloidal field (PF) and central solenoid (CS) coils play a crucial role in sustaining the equilibrium and preserving the shape of highly confined tokamak plasmas. Ensuring that PF coil current and mechanical stress stay within superconducting and structural limitations is an important check in the design assessment. Minimizing the PF coil currents and mechanical stresses influences reliability, cost, and performance. A free-boundary MHD equilibrium code—FreeGS is employed within the fusion reactor design and assessment (FREDA) whole facility modeling (WFM) framework to construct the plasma equilibrium based on the configuration and currents in the PF coils. Here, we present the capability of the FreeGS code to minimize the currents, forces, and electromagnetic stresses on the PF coils by optimizing their number, sizes, structures, and locations while maintaining an MHD stable plasma configuration with a large confinement factor. The workflow is initialized with a configuration of plasma parameters and coils’ locations from the 0-D tokamak build systems code in the FREDA framework. Then, FreeGS is called to calculate the initial equilibrium at the minimum total current in PF coils. Thereafter, FreeGS’s internal optimizer minimizes the currents and hoop and central forces on the PF coils while maintaining the reference equilibrium. Finally, the input configuration is updated with the optimized parameters for equilibria over the ramp-up phase of a burning-plasma operation. FREDA’s whole facility optimization capability, which includes all magnetic field coil systems, blanket, vacuum vessel (VV), first wall, divertor, etc., is under development and out of the scope for this study.

Hassan, Ehab [ORNL] (ORCID:0000000181060301)↗
DOE OSTI2022

Probing physics beyond the standard model: limits from BBN and the CMB independently and combined

We present new Big Bang Nucleosynthesis (BBN) limits on the cosmic expansion rate or relativistic energy density, quantified via the number N ν of equivalent neutrino species. We use the latest light element observations, neutron mean lifetime, and update our evaluation for the nuclear rates d + d → 3 He + n and d + d → 3 H+p. Combining this result with the independent constraints from the cosmic microwave background (CMB) yields tight limits on new physics that perturbs N ν and η prior to cosmic nucleosynthesis: a joint BBN+CMB analysis gives N ν = 2.898 ± 0.141, resulting in N ν < 3.180 at 2σ. We apply these limits to a wide variety of new physics scenarios including right-handed neutrinos, dark radiation, and a stochastic gravitational wave background. The strength of the independent BBN and CMB constraints now opens a new window: we can search for limits on potential changes in N ν and/or the baryon-to-photon ratio η between the two epochs. The present data place strong constraints on the allowed changes in N ν between BBN and CMB decoupling; for example, we find -0.708 < N ν CMB - N ν BBN < 0.328 in the case where η and the primordial helium mass fraction Yp are unchanged between the two epochs; we also give limits on the allowed variations in η or in (η, N ν ) jointly. We discuss scenarios in which such changes could occur, and show that BBN+CMB results combine to place important constraints on some early dark energy models to explain the H 0 tension. Looking to the future, we forecast the tightened precision for N ν arising from both CMB Stage 4 measurements as well as improvements in astronomical 4 He measurements. Here, we find that CMB-S4 combined with present BBN and light element observation precision can give σ(N ν ) ≃ 0.03. Such future precision would reveal the expected effect of neutrino heating (N eff -3 = 0.044) of the CMB during BBN, and would be near the level to reveal any particle species ever in thermal equilibrium with the standard model. Improved Y p measurements can push this precision even further.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1977

Minimum-time acceleration of aircraft turbofan engines

Minimum-time accelerations of the F100 turbofan engine are presented. A piecewise-linear engine model, having three state variables and four control variables, is used to obtain the minimum-time solutions. The linear model which applies at a given time in the trajectory is determined by calculating a normalized distance from the current state to the equilibrium state associated with each linear model. The linear model associated with the closest equilibrium point is then used. The control histories for the minimum-time solutions are used as input to a nonlinear simulation of the F100 engine to verify the accuracy of the piecewise linear solutions.

Teren, F.↗
NASA NTRS1977

Minimum-time acceleration of aircraft turbofan engines

Minimum-time accelerations of the F100 turbofan engine are presented. A piecewise-linear engine model, having three state variables and four control variables, is used to obtain the minimum-time solutions. The linear model which applies at a given time in the trajectory is determined by calculating a normalized 'distance' from the current state to the equilibrium state associated with each linear model. The linear model associated with the closest equilibrium point is then used. The control histories for the minimum-time solutions are used as input to a nonlinear simulation of the F100 engine to verify the accuracy of the piecewise-linear solutions.

Teren, F.↗
NASA NTRS1982

Preliminary modeling of high pressure partial melting - Implications for early lunar differentiation

A quantitative model is presented for equilibrium crystallization of lunar magmas at high pressure, which, viewed in reverse, is equivalent to equilibrium partial melting. Data are extrapolated from simple systems, mare basalt systems, and from experiments on terrestrial compositions. Liquidus phase equilibria in a portion of the CaO-MgO-Al2O3-SiO2 system serve as a guide for predicting phase equilibria in the natural system. High pressure partial melting sequences are calculated for several proposed whole moon compositions at nominal pressure of 10 and 20 kb. Results show that compositions with chondritic Ca/Al have quite different melting paths from those with subchondritic Ca/Al, and as a result the types of magmas produced are quite different. If the moon possesses a chondritic Ca/Al ratio, models which rely on small degrees of partial melting to produce the early lunar magnetism are suspect.

Longhi, J.↗
NASA NTRS1992

Lumley's energy cascade dissipation rate model for boundary-free turbulent shear flows

True dissipation occurs mainly at the highest wavenumbers where the eddy sizes are comparatively small. These high wavenumbers receive their energy through the spectral cascade of energy starting with the largest eddies spilling energy into the smaller eddies, passing through each wavenumber until it is dissipated at the microscopic scale. However, a small percentage of the energy does not spill continuously through the cascade but is instantly passed to the higher wavenumbers. Consequently, the smallest eddies receive a certain amount of energy almost immediately. As the spectral energy cascade continues, the highest wavenumber needs a certain time to receive all the energy which has been transferred from the largest eddies. As such, there is a time delay, of the order of tau, between the generation of energy by the largest eddies and the eventual dissipation of this energy. For equilibrium turbulence at high Reynolds numbers, there is a wide range where energy is neither produced by the large eddies nor dissipated by viscosity, but is conserved and passed from wavenumber to higher wavenumbers. The rate at which energy cascades from one wavenumber to another is proportional to the energy contained within that wavenumber. This rate is constant and has been used in the past as a dissipation rate of turbulent kinetic energy. However, this is true only in steady, equilibrium turbulence. Most dissipation models contend that the production of dissipation is proportional to the production of energy and that the destruction of dissipation is proportional to the destruction of energy. In essence, these models state that the change in the dissipation rate is proportional to the change in the kinetic energy. This assumption is obviously incorrect for the case where there is no production of turbulent energy, yet energy continues to cascade from large to small eddies. If the time lag between the onset on the energy cascade to the destruction of energy at the microscale can be modeled, then there will be a better representation of the dissipation process. Development of an energy cascade time scale equation is discussed.

Duncan, B. S.↗
NASA NTRS1987

Navier-Stokes and viscous shock-layer solutions for radiating hypersonic flows

Results are presented from the Navier-Stokes and viscous shock-layer (VSL) calculations with nonequilibrium and equilibrium chemistry, respectively. These calculations contain coupling to the Aerotherm radiation code RAD. A simplified form of the electron energy equation is used to obtain an electron temperature in the Navier-Stokes calculations. The radiation in the flowfield is calculated using this temperature. The Navier-Stokes code is used at high altitude only, whereas the VSL code is employed for the entire entry period to make estimates of the radiative and convective heating to the Fire II vehicle. Results from the Navier-Stokes code have also been compared with the predictions of Lee and Kawamura, who used gray-gas radiation model and thin-layer Navier-Stokes equations. Quite good agreement is obtained between the measured and computed values of radiative and convective heating from the VSL code in th medium-to-low altitude flight regime of the Fire II vehicle. At high altitudes, the Navier-Stokes calculations considerably overpredict the Fire II flight data for radiative intensity. This is attributed to the deficiencies in the Aerotherm radiation model when used for low-density flight conditions. This model contains the thermal equilibrium assumption and precludes accounting for the collision-limiting phenomenon at high altitudes. Present Navier-Stokes calculations highlight the effect of these assumptions on radiative heating calculations for such conditions.

Gupta, Roop N.↗
NASA NTRS1986

The ortho/para ratio of water vapor in Comet Halley

The ortho/para ratio of H2O is shown to be an invariant in the cometary coma. The dependence of ortho-para ratio on temperature in thermal equilibrium is given, and the nuclear-spin-temperature is defined. Its relation to the physical temperature of the cometary ices is discussed, and the prospects for using the observed ortho/para ratio to infer properties of the cometary nucleus are explored. The ortho/para ratio in Halley's comet is derived from high resolution infrared spectra of near 2.7 microns wavelength. On UT December 24.1, 1985 it was 2.73 + or - 0.17, and on UT March 22.7, 1986 it was 3.23 + or - 0.37. The nuclear-spin-temperature was 35 K (+9 K, -5 K) pre-perihelion, and less than 40 K post-perihelion, at the 67% confidence limit. Both numbers are consistent with modeled values of the equilibrium temperature of the cometary nucleus at aphelion (47 K). However, at the 95% confidence limit they are also fully consistent with temperatures less than 50 K, corresponding to an ortho/para ratio of about 3.0.

Mumma, Michael J.↗
NASA NTRS2003

Various Numerical Applications on Tropical Convective Systems Using a Cloud Resolving Model

In recent years, increasing attention has been given to cloud resolving models (CRMs or cloud ensemble models-CEMs) for their ability to simulate the radiative-convective system, which plays a significant role in determining the regional heat and moisture budgets in the Tropics. The growing popularity of CRM usage can be credited to its inclusion of crucial and physically relatively realistic features such as explicit cloud-scale dynamics, sophisticated microphysical processes, and explicit cloud-radiation interaction. On the other hand, impacts of the environmental conditions (for example, the large-scale wind fields, heat and moisture advections as well as sea surface temperature) on the convective system can also be plausibly investigated using the CRMs with imposed explicit forcing. In this paper, by basically using a Goddard Cumulus Ensemble (GCE) model, three different studies on tropical convective systems are briefly presented. Each of these studies serves a different goal as well as uses a different approach. In the first study, which uses more of an idealized approach, the respective impacts of the large-scale horizontal wind shear and surface fluxes on the modeled tropical quasi-equilibrium states of temperature and water vapor are examined. In this 2-D study, the imposed large-scale horizontal wind shear is ideally either nudged (wind shear maintained strong) or mixed (wind shear weakened), while the minimum surface wind speed used for computing surface fluxes varies among various numerical experiments. For the second study, a handful of real tropical episodes (TRMM Kwajalein Experiment - KWAJEX, 1999; TRMM South China Sea Monsoon Experiment - SCSMEX, 1998) have been simulated such that several major atmospheric characteristics such as the rainfall amount and its associated stratiform contribution, the Qlheat and Q2/moisture budgets are investigated. In this study, the observed large-scale heat and moisture advections are continuously applied to the 2-D model. The modeled cloud generated from such an approach is termed continuously forced convection or continuous large-scale forced convection. A third study, which focuses on the respective impact of atmospheric components on upper Ocean heat and salt budgets, will be presented in the end. Unlike the two previous 2-D studies, this study employs the 3-D GCE-simulated diabatic source terms (using TOGA COARE observations) - radiation (longwave and shortwave), surface fluxes (sensible and latent heat, and wind stress), and precipitation as input for the Ocean mixed-layer (OML) model.

Shie, C.-L.↗
DOE OSTI2022

A smeared crack modeling framework accommodating multi-directional fracture at finite strains

A generic smeared crack modeling framework predicated on the deformation gradient decomposition (DGD) approach is proposed for use in dynamic fracture problems at finite strains, accommodating failure along multiple mutually orthogonal fracture planes embedded within an independently defined bulk material model. Within this constitutive framework, the traction equilibrium conditions imposed at each failure surface are used to determine the associated crack displacements stored as internal state variables. In general, the enforcement of interfacial equilibrium entails the implicit solution of a non-linear system of equations within the constitutive update procedure. However, if inertial effects arising due to the relative motion of the fractured material are incorporated within the model, the traction equilibrium conditions are shown to give rise to corresponding dynamic equations of motion governing the time-evolution of the crack opening displacements. For dynamic problems, an explicit time-integration procedure is devised to efficiently update the material state, subject to a set of internal frictionless contact constraints to prevent material inversion. Finally, the efficacy of the proposed modeling framework is investigated through several benchmark dynamic fracture problems run within the explicit finite element code DYNA3D.

42 ENGINEERING↗
DOE OSTI2024

A Vehicle-to-Grid planning framework incorporating electric vehicle user equilibrium and distribution network flexibility enhancement

The rapid surge in electric vehicle (EV) adoption, coupled with advancements in charging technologies, emphasizes the critical necessity for expanding EV recharging infrastructure. Simultaneously, the Distribution Network (DN) encounters escalating challenges in meeting charging demand during peak traffic periods. Consequently, there is a mounting demand for the deployment of innovative Vehicle-to-Grid (V2G) technologies to augment the DN’s flexibility in power dispatch and alleviate travel costs for EV users. Hence, this paper proposes an EV-user-equilibrium-(UE)-constrained V2G planning framework that enhances flexibility in the DN. The framework aims to ascertain the optimal placement and capacity of EV charging stations (EVCSs) and V2G charging piles within the Transportation Network (TN). It takes into account the equilibrium condition stemming from competitive EV charging and routing behaviors alongside the optimal expansion of DN energy resources to accommodate the electricity supplied by the V2G piles. This study commences by analyzing EV drivers’ travel decisions, considering the influence of charging and V2G pile locations and sizes. Subsequently, we tackle the Traffic Assignment Problem with User Equilibrium (TAP-UE) model to characterize the steady-state traffic flow distribution of EVs. Following this, we formulate the optimization model for the Coordinated Power and Transportation Network (CPTN), which encompasses the optimal expansion of DN facilities and traffic flow regulation under UE conditions. To mitigate the computational complexity associated with the V2G planning model, we introduce a series of linearization methods to obtain a manageable Mixed-Integer Linear Programming (MILP) solution. Finally, to validate the efficacy of our proposed planning framework, we apply it to two test systems, including a real-world case study. Through these case studies, we explore the necessity and potential benefits of V2G technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Degenerate parametric down-conversion facilitated by exciton-plasmon polariton states in a nonlinear plasmonic cavity

Abstract We study the effect of degenerate parametric down-conversion (DPDC) in an ensemble of two-level quantum emitters (QEs) coupled via near-field interactions to a single surface plasmon (SP) mode of a nonlinear plasmonic cavity. For this purpose, we develop a quantum driven-dissipative model capturing non-equilibrium dynamics of the system in which incoherently pumped QEs have transition frequency tuned near the second-harmonic response of the SPs. Considering the strong coupling regime, i.e. the SP-QE interaction rate exceeds system dissipation rates, we find a critical SP-QE coupling attributed to the phase transition between normal and lasing steady states. Examining fluctuations above the system’s steady states, we predict new elementary excitations, namely, the exciton-plasmon polaritons formed by the two-SP quanta and single-exciton states of QEs. The contribution of two-SP quanta results in the linear scaling of the SP-QE interaction rate with the number of QEs,  o , as opposed to the  o -scaling known for the Dicke and Tavis–Cummings models. We further examine how SP-QE interaction scaling affects the polariton dispersions and power spectra in the vicinity of the critical coupling. For this purpose, we compare the calculation results assuming a finite ensemble of QEs and the model thermodynamic limit. The calculated power spectra predict an interplay of coherent photon emission by QEs near the second-harmonic frequency and correlated photon-pair emission at the fundamental frequency by the SPs (i.e. the photonic DPDC effect).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Scaling functions for eigenstate entanglement crossovers in harmonic lattices

For quantum matter, eigenstate entanglement entropies obey an area law or log-area law at low energies and small subsystem sizes and cross over to volume laws for high energies and large subsystems. This transition is captured by crossover functions, which assume a universal scaling form in quantum critical regimes. We demonstrate this for the harmonic lattice model, which describes quantized lattice vibrations and is a regularization for free scalar field theories, modeling, e.g., spin-0 bosonic particles. In one dimension, the ground-state entanglement obeys a log-area law. For dimensions d ≥ 2, it displays area laws, even at criticality. The distribution of excited-state entanglement entropies is found to be sharply peaked around subsystem entropies of corresponding thermodynamic ensembles in accordance with the eigenstate thermalization hypothesis. Numerically, we determine crossover scaling functions for the quantum critical regime of the model and do a large-deviation analysis. We show how infrared singularities of the system can be handled and how to access the thermodynamic limit using a perturbative trick for the covariance matrix. Eigenstates for quasi-free bosonic systems are not Gaussian. Here, we resolve this problem by considering appropriate squeezed states instead. For these, entanglement entropies can be evaluated efficiently.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2003

A Proposed Mechanism for the Thermal Denaturation of a Recombinant Bacillus Halmapalus Alpha-amylase - the Effect of Calcium Ions

The thermal stability of a recombinant alpha-amylase from Bacillus halmapalus alpha-amylase (BHA) has been investigated using circular dichroism spectroscopy (CD) and differential scanning calorimetry (DSC). This alpha-amylase is homologous to other Bacillus alpha-amylases where previous crystallographic studies have identified the existence of 3 calcium binding sites in the structure. Denaturation of BHA is irreversible with a Tm of approximately 89 C, and DSC thermograms can be described using a one-step irreversible model. A 5 C increase in T(sub m) in the presence of 10 fold excess CaCl2 was observed. However, a concomitant increase in the tendency to aggregate was also observed. The presence of 30-40 fold excess calcium chelator (EDTA or EGTA) results in a large destabilization of BHA corresponding to about 40 C lower T(sub m), as determined by both CD and DSC. Ten fold excess EGTA reveals complex DSC thermograms corresponding to both reversible and irreversible transitions, which possibly originate from different populations of BHA:calcium complexes. The observations in the present study have, in combination with structural information of homologous alpha-amylases, provided the basis for the proposal of a simple denaturation mechanism of BHA. The proposed mechanism describes the irreversible thermal denaturation of different BHA:calcium complexes and the calcium binding equilibrium involved. Furthermore, the model accounts for a temperature induced reversible structural change associated with calcium binding.

Nielsen, Anders D.↗
DOE OSTI2024

Non-equilibrium pathways to emergent polar supertextures

Ultrafast stimuli can stabilize metastable states of matter inaccessible by equilibrium means. Establishing the spatiotemporal link between ultrafast excitation and metastability is crucial to understand these phenomena. Here, in this work, we utilize single-shot optical pump–X-ray probe measurements to capture snapshots of the emergence of a persistent polar vortex supercrystal in a heterostructure that hosts a fine balance between built-in electrostatic and elastic frustrations by design. By perturbing this balance with photoinduced charges, an initially heterogeneous mixture of polar phase disorders within a few picoseconds, leading to a state composed of disordered ferroelectric and suppressed vortex orders. On the picosecond–nanosecond timescales, transient labyrinthine fluctuations develop, accompanied by the recovery of the vortex order. On longer timescales, these fluctuations are progressively quenched by dynamical strain modulations, which drive the collective emergence of a single vortex supercrystal phase. Our results, corroborated by dynamical phase-field modelling, reveal non-equilibrium pathways following the ultrafast excitation of designer systems to persistent metastability.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Simulation of hardened cement degradation and estimation of uncertainty in predicted failure times with peridynamics

Modeling the degradation of cement-based infrastructure due to aqueous environmental conditions continues to be a challenge. In order to develop a capability to predict concrete infrastructure failure due to chemical degradation, here we created a chemomechanical model of the effects of long-term water exposure on cement paste. The model couples the mechanical static equilibrium balance with reactive–diffusive transport and incorporates fracture and failure via peridynamics (a meshless simulation method). The model includes fundamental aspects of degradation of ordinary Portland cement (OPC) paste, including the observed softening, reduced toughness, and shrinkage of the cement paste, and increased reactivity and transport with water induced degradation. This version of the model focuses on the first stage of cement paste decalcification, the dissolution of portlandite. Given unknowns in the cement paste degradation process and the cost of uncertainty quantification (UQ), we adopt a minimally complex model in two dimensions (2D) in order to perform sensitivity analysis and UQ. We calibrate the model to existing experimental data using simulations of common tests such as flexure, compression and diffusion. Then we calculate the global sensitivity and uncertainty of predicted failure times based on variation of eleven unique and fundamental material properties. We observed particularly strong sensitivities to the diffusion coefficient, the reaction rate, and the shrinkage with degradation. Also, the predicted time of first fracture is highly correlated with the time to total failure in compression, which implies fracture can indicate impending degradation induced failure; however, the distributions of the two events overlap so the lead time may be minimal. Extension of the model to include the multiple reactions that describe complete degradation, viscous relaxation, post-peak load mechanisms, and to three dimensions to explore the interactions of complex fracture patterns evoked by more realistic geometry is straightforward and ongoing.

36 MATERIALS SCIENCE↗