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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Tunable Geometries in Sparse Clifford Circuits

We investigate the emergence of different effective geometries in stochastic Clifford circuits with sparse coupling. By changing the probability distribution for choosing two-site gates as a function of distance, we generate sparse interactions that either decay or grow with distance as a function of a single tunable parameter. Tuning this parameter reveals three distinct regimes of geometry for the spreading of correlations and growth of entanglement in the system. We observe linear geometry for short-range interactions, treelike geometry on a sparse coupling graph for long-range interactions, and an intermediate fast scrambling regime at the crossover point between the linear and treelike geometries. This transition in geometry is revealed in calculations of the subsystem entanglement entropy and tripartite mutual information. We also study emergent lightcones that govern these effective geometries by teleporting a single qubit of information from an input qubit to an output qubit. These tools help to analyze distinct geometries arising in dynamics and correlation spreading in quantum many-body systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

A COUPLED 2 × 2D BABCOCK–LEIGHTON SOLAR DYNAMO MODEL. II. REFERENCE DYNAMO SOLUTIONS

In this paper we complete the presentation of a new hybrid 2 × 2D flux transport dynamo (FTD) model of the solar cycle based on the Babcock–Leighton mechanism of poloidal magnetic field regeneration via the surface decay of bipolar magnetic regions (BMRs). This hybrid model is constructed by allowing the surface flux transport (SFT) simulation described in Lemerle et al. to provide the poloidal source term to an axisymmetric FTD simulation defined in a meridional plane, which in turn generates the BMRs required by the SFT. A key aspect of this coupling is the definition of an emergence function describing the probability of BMR emergence as a function of the spatial distribution of the internal axisymmetric magnetic field. We use a genetic algorithm to calibrate this function, together with other model parameters, against observed cycle 21 emergence data. We present a reference dynamo solution reproducing many solar cycle characteristics, including good hemispheric coupling, phase relationship between the surface dipole and the BMR-generating internal field, and correlation between dipole strength at cycle maximum and peak amplitude of the next cycle. The saturation of the cycle amplitude takes place through the quenching of the BMR tilt as a function of the internal field. The observed statistical scatter about the mean BMR tilt, built into the model, acts as a source of stochasticity which dominates amplitude fluctuations. The model thus can produce Dalton-like epochs of strongly suppressed cycle amplitude lasting a few cycles and can even shut off entirely following an unfavorable sequence of emergence events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Open EFTs, IR effects & late-time resummations: systematic corrections in stochastic inflation

Though simple inflationary models describe the CMB well, their corrections are often plagued by infrared effects that obstruct a reliable calculation of late-time behaviour. Here we adapt to cosmology tools designed to address similar issues in other physical systems with the goal of making reliable late-time inflationary predictions. The main such tool is Open EFTs which reduce in the inflationary case to Stochastic Inflation plus calculable corrections. We apply this to a simple inflationary model that is complicated enough to have dangerous IR behaviour yet simple enough to allow the inference of late-time behaviour. We find corrections to standard Stochastic Inflationary predictions for the noise and drift, and we find these corrections ensure the IR finiteness of both these quantities. The late-time probability distribution, P(Φ), for super-Hubble field fluctuations are obtained as functions of the noise and drift and so these too are IR finite. We compare our results to other methods (such as large-N models) and find they agree when these models are reliable. In all cases we can explore in detail we find IR secular effects describe the slow accumulation of small perturbations to give a big effect: a significant distortion of the late-time probability distribution for the field. But the energy density associated with this is only of order H 4 at late times and so does not generate a dramatic gravitational back-reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Characterizing Peatland Microtopography Using Gradient and Microform-Based Approaches

Abstract Peatlands represent an important component of the global carbon cycle, storing 180–621 Gt of carbon (C). Small-scale spatial variations in elevation, frequently referred to as microtopography, influence ecological processes associated with the peatland C cycle, including Sphagnum photosynthesis and methane flux. Microtopography can be characterized with measures of topographic variability and by using conceptual classes (microforms) linked to function: most commonly hummocks and hollows. However, the criteria used to define these conceptual classes are often poorly described, if at all, and vary between studies. Such inconsistencies compel development of explicit quantitative methods to classify microforms. Furthermore, gradient-based characterizations that describe spatial variability without the use of microforms are lacking in the literature. Therefore, the objectives of this study were to (1) calculate peatland microtopographical elevation gradients and measures of spatial variability, (2) develop three microform classification methods intended for specific purposes, and (3) evaluate and contrast classification methods. Our results suggest that at spatial scales much larger than microforms, elevation distributions are unimodal and are well approximated with parametric probability density functions. Results from classifications were variable between methods and years and exhibited significant differences in mean hollow areal coverages of a raised ombrotrophic bog. Our results suggest that the conceptualization and classification of microforms can significantly influence microtopographic structural metrics. The three explicit methods for microform classification described here may be used and built upon for future applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Representation of Arctic Mixed-Phase clouds and the Wegener-Bergeron-Findeisen Process in Climate Models: Perspectives from a Cloud-Resolving Study

Two types of Arctic mixed-phase clouds observed during the ISDAC and M-PACE field campaigns are simulated using a 3-dimensional cloud-resolving model (CRM) with size-resolved cloud microphysics. The modeled cloud properties agree reasonably well with aircraft measurements and surface-based retrievals. Cloud properties such as the probability density function (PDF) of vertical velocity (w), cloud liquid and ice, the regime of ice growth at the expense of liquid water (i.e., Wegener-Bergeron-Findeisen (WBF) process), and the inherent relationships among cloud properties/processes in the mixed-phase layers are examined to gain insights for improving the representation of the mixed-phase processes in General Circulation Models (GCMs). We find that, the WBF process only occurs in about 50% of the mixed-phase regime with the vast majority occurring in the downdrafts. In updrafts both liquid and ice grow simultaneously. But in GCMs, it is not necessary to treat the WBF process at the subgrid scale. Our CRM results produce a w distribution well represented by a Gaussian normal function, validating, at least for arctic clouds, the subgrid treatment used in GCMs. Our CRM results also support the assumption frequently used in GCMs that mixed phase clouds maintain water vapor very near liquid saturation. A Gamma function with a fixed variance does not accurately represent the subgrid variability of cloud liquid. The PDFs of cloud liquid and cloud ice can be fitted with Gamma functions, and a normal function can be used for total water, but the variance should not be fixed. The relationship between the ice depositional growth rate and cloud ice strongly depends on the capacitance of ice particles. The assumption for the capacitance of ice particles (e.g., 1.0 for spheres) used in GCMs could lead to a large deviation in ice depositional growth. At large sales, the maximum overlap assumption looks appropriate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

SU-E-T-520: Four-Dimensional Dose Calculation Algorithm Considering Variations in Dose Distribution Induced by Sinusoidal One-Dimensional Motion Patterns

Purpose: To investigate quantitatively the variations in dose-distributions induced by motion by measurements and modeling. A four-dimensional (4D) motion model of dose distributions that accounts for different motion parameters was developed. Methods: Variations in dose distributions induced by sinusoidal phantom motion were measured using a multiple-diode-array-detector (MapCheck2). MapCheck2 was mounted on a mobile platform that moves with adjustable calibrated motion patterns in the superior-inferior direction. Various plans including open and intensity-modulated fields were used to irradiate MapCheck2. A motion model was developed to predict spatial and temporal variations in the dose-distributions and dependence on the motion parameters using pencil-beam spread-out superposition function. This model used the superposition of pencil-beams weighted with a probability function extracted from the motion trajectory. The model was verified with measured dose-distributions obtained from MapCheck2. Results: Dose-distribution varied considerably with motion where in the regions between isocenter and 50% isodose-line, dose decreased with increase of the motion amplitude. Dose levels increased with increase in the motion amplitude in the region beyond 50% isodose-line. When the range of motion (ROM=twice amplitude) was smaller than the field length both central axis dose and the 50% isodose-line did not change with variation of motion amplitude and remained equal to the dose of stationary phantom. As ROM became larger than the field length, the dose level decreased at central axis dose and 50% isodose-line. Motion frequency and phase did not affect the dose distributions which were delivered over an extended time longer than few motion cycles, however, they played an important role for doses delivered with high-dose-rates within one motion cycle . Conclusion: A 4D-dose motion model was developed to predict and correct variations in dose distributions induced by one-dimensional sinusoidal motion. This model was verified with measured dose-distributions and can be expanded to consider complicated patient motion patterns.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2016

A statistical study of gyro-averaging effects in a reduced model of drift-wave transport

Here, a statistical study of finite Larmor radius (FLR) effects on transport driven by electrostatic driftwaves is presented. The study is based on a reduced discrete Hamiltonian dynamical system known as the gyro-averaged standard map (GSM). In this system, FLR effects are incorporated through the gyro-averaging of a simplified weak-turbulence model of electrostatic fluctuations. Formally, the GSM is a modified version of the standard map in which the perturbation amplitude, K 0 , becomes K 0 J 0 ($\hat{p}$), where J 0 is the zeroth-order Bessel function and $\hat{p}$ s the Larmor radius. Assuming a Maxwellian probability density function (pdf) for $\hat{p}$ , we compute analytically and numerically the pdf and the cumulative distribution function of the effective drift-wave perturba- tion amplitude K 0 J 0 ($\hat{p}$). Using these results, we compute the probability of loss of confinement (i.e., global chaos), P c provides an upper bound for the escape rate, and that P t rovides a good estimate of the particle trapping rate. Lastly. the analytical results are compared with direct numerical Monte-Carlo simulations of particle transport.

42 ENGINEERING↗
DOE OSTI2014

The information-theoretical entropy of some quantum oscillators

The Wehrl entropy or the 'classical' entropy associated with a quantum system is the entropy of the probability distribution in phase space, corresponding to the Husimi Q-function in terms of coherent states. In the present paper, we shall focus our attention on the examination of the Wehrl entropy for both the pure and the mixed (thermal) states of the pseudoharmonic oscillator (PHO). The choice of the PHO is interesting because this oscillator is an intermediate between the ideal one-dimensional harmonic oscillator (HO-1D) and the more practical anharmonicone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Analysis of incident-energy dependence of delayed neutron yields in actinides

The changes of delayed neutron yields (ν{sub d}) of Actinides have been analyzed for incident energy up to 20MeV using realized data of precursor after prompt neutron emission, from semi-empirical model, and delayed neutron emission probability data (P{sub n}) to carry out a summation method. The evaluated nuclear data of the delayed neutron yields of actinide nuclides are still uncertain at the present and the cause of the energy dependence has not been fully understood. In this study, the fission yields of precursor were calculated considering the change of the fission fragment mass yield based on the superposition of fives Gaussian distribution; and the change of the prompt neutrons number associated with the incident energy dependence. Thus, the incident energy dependent behavior of delayed neutron was analyzed.The total number of delayed neutron is expressed as ν{sub d}=∑Y{sub i} • P{sub ni} in the summation method, where Y{sub i} is the mass yields of precursor i and P{sub ni} is the delayed neutron emission probability of precursor i. The value of Y{sub i} is derived from calculation of post neutron emission mass distribution using 5 Gaussian equations with the consideration of large distribution of the fission fragments. The prompt neutron emission ν{sub p} increases at higher incident-energy but there are two different models; one model says that the fission fragment mass dependence that prompt neutron emission increases uniformly regardless of the fission fragments mass; and the other says that the major increases occur at heavy fission fragments area. In this study, the changes of delayed neutron yields by the two models have been investigated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Electron-phonon relaxation and excited electron distribution in gallium nitride

We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium distribution function of excited electrons. The solution for this function breaks up into the sum of two contributions. The low-energy contribution is concentrated in a narrow range near the bottom of the conduction band. It has the typical form of a Fermi distribution with an effective temperature and chemical potential. The effective temperature and chemical potential in this low-energy term are determined by the intensity of carriers' generation, the speed of electron-phonon relaxation, rates of inter-band recombination, and electron capture on the defects. In addition, there is a substantial high-energy correction. This high-energy “tail” largely covers the conduction band. The shape of the high-energy “tail” strongly depends on the rate of electron-phonon relaxation but does not depend on the rates of recombination and trapping. We apply the theory to the calculation of a non-equilibrium distribution of electrons in an irradiated GaN. Probabilities of optical excitations from the valence to conduction band and electron-phonon coupling probabilities in GaN were calculated by the density functional perturbation theory. Our calculation of both parts of distribution function in gallium nitride shows that when the speed of the electron-phonon scattering is comparable with the rate of recombination and trapping then the contribution of the non-Fermi “tail” is comparable with that of the low-energy Fermi-like component. So the high-energy contribution can essentially affect the charge transport in the irradiated and highly doped semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Control of Networked Traffic Flow Distribution - A Stochastic Distribution System Perspective

Networked traffic flow is a common scenario for urban transportation, where the distribution of vehicle queues either at controlled intersections or highway segments reflect the smoothness of the traffic flow in the network. At signalized intersections, the traffic queues are controlled by traffic signal control settings and effective traffic lights control would realize both smooth traffic flow and minimize fuel consumption. Funded by the Energy Efficient Mobility Systems (EEMS) program of the Vehicle Technologies Office of the US Department of Energy, we performed a preliminary investigation on the modelling and control framework in context of urban network of signalized intersections. In specific, we developed a recursive input-output traffic queueing models. The queue formation can be modeled as a stochastic process where the number of vehicles entering each intersection is a random number. Further, we proposed a preliminary B-Spline stochastic model for a one-way single-lane corridor traffic system based on theory of stochastic distribution control.. It has been shown that the developed stochastic model would provide the optimal probability density function (PDF) of the traffic queueing length as a dynamic function of the traffic signal setting parameters. Based upon such a stochastic distribution model, we have proposed a preliminary closed loop framework on stochastic distribution control for the traffic queueing system to make the traffic queueing length PDF follow a target PDF that potentially realizes the smooth traffic flow distribution in a concerned corridor.

Wang, Hong↗
DOE OSTI2013

Optimal guidance law in quantum mechanics

Following de Broglie’s idea of a pilot wave, this paper treats quantum mechanics as a problem of stochastic optimal guidance law design. The guidance scenario considered in the quantum world is that an electron is the flight vehicle to be guided and its accompanying pilot wave is the guidance law to be designed so as to guide the electron to a random target driven by the Wiener process, while minimizing a cost-to-go function. After solving the stochastic optimal guidance problem by differential dynamic programming, we point out that the optimal pilot wave guiding the particle’s motion is just the wavefunction Ψ(t,x), a solution to the Schrödinger equation; meanwhile, the closed-loop guidance system forms a complex state–space dynamics for Ψ(t,x), from which quantum operators emerge naturally. Quantum trajectories under the action of the optimal guidance law are solved and their statistical distribution is shown to coincide with the prediction of the probability density function Ψ{sup ∗}Ψ. -- Highlights: •Treating quantum mechanics as a pursuit-evasion game. •Reveal an interesting analogy between guided flight motion and guided quantum motion. •Solve optimal quantum guidance problem by dynamic programming. •Gives a formal proof of de Broglie–Bohm’s idea of a pilot wave. •The optimal pilot wave is shown to be a wavefunction solved from Schrödinger equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

`SkyPy`: A package for modelling the Universe

SkyPy is an open-source Python package for simulating the astrophysical sky. It comprises a library of physical and empirical models across a range of observables and a command-line script to run end-to-end simulations. The library provides functions that sample realisations of sources and their associated properties from probability distributions. Simulation pipelines are constructed from these models using a YAML-based configuration syntax, while task scheduling and data dependencies are handled internally and the modular design allows users to interface with external software. SkyPy is developed and maintained by a diverse community of domain experts with a focus on software sustainability and interoperability. By fostering development, it provides a framework for correlated simulations of a range of cosmological probes including galaxy populations, large scale structure, the cosmic microwave background, supernovae and gravitational waves. Version 0.4 implements functions that model various properties of galaxies including luminosity functions, redshift distributions and optical photometry from spectral energy distribution templates. Future releases will provide additional modules, for example, to simulate populations of dark matter halos and model the galaxy-halo connection, making use of existing software packages from the astrophysics community where appropriate.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

An update to the Sandia method for creating Typical Meteorological Years from a limited pool of calendar years

Typical Meteorological Years (TMYs) are essential for the efficient evaluation of energy system performance. Ideally, 30 years of weather data are required to generate TMYs, but significantly fewer years are typically available due to practical limitations. To address this issue, an update to the Sandia method was developed, referred to as the Argonne method, to create TMYs from a limited number of years. Furthermore, this method enhances candidate diversity by systematically shifting original candidate months forward or backward by specific days, creating an expanded pool of candidates. The effectiveness of the Argonne method was validated through statistical testing, comparison of monthly average weather parameters, and numerical simulations. The results demonstrate a high probability of identifying at least one shifted month whose cumulative distribution functions of weather parameters closely align with long-term distributions. In 67 % of all comparisons, the monthly average weather parameters in TMYs generated using the Argonne method exhibit better agreement with long-term averages than TMY3. Moreover, in 74 % of the 318 building simulation cases, the Argonne method outperforms TMY3 in estimating long-term average building heating and cooling demands. Therefore, the Argonne method effectively diversifies the candidate pool and produces typical years that provide more accurate estimations of long-term averages compared to TMY3 when only a limited pool of calendar years (10 years or fewer) is available.

Building energy modeling↗
DOE OSTI2011

Cu{sub 22}Bi{sub 12}S{sub 21}Cl{sub 16}-A mixed conductor with fast one-dimensional copper(I) ion transport

Melting reactions of Cu, CuCl, S, and Bi{sub 2}S{sub 3} yield black, shiny needles of Cu{sub 22(1)}Bi{sub 12}S{sub 21(1)}Cl{sub 16(1)}. The compound decomposes peritectically at 649(5) K. Oxidation state +I of the copper atoms is supported by Cu-K-XANES. The compound crystallizes in the hexagonal space group P6/m with a=2116.7(7) pm and c=395.17(5) pm. Seven anions coordinate each of the two independent bismuth cations in the shape of mono-capped trigonal prisms. These polyhedra share edges and faces to form trigonal and hexagonal tubes running along [0 0 1]. The hexagonal tubes are centered by chloride ions, which are surrounded by disordered copper cations. The majority of copper cations are distributed over numerous sites between the tubes. The Joint Probability Density Function (JPDF) reveals a continuous pathway along [0 0 1]. The high mobility of the copper cations along [0 0 1] was demonstrated by impedance spectroscopy and DC polarization measurements on single crystals. The ionic conductivity at 450 K is about {sigma}{sub ion}=0.06 S cm{sup -1}, and the activation energy for Cu{sup +} ion conduction is E{sub a}=0.44 eV. The chemical diffusion coefficient of copper is in the order of D{sub cu}{sup {delta}=}10{sup 19} cm{sup -3} at 420 K. The electronic band gap (p-type conductor) was determined as E{sub g}=0.06 eV. At room temperature the thermal conductivity of a pressed pellet is about {kappa}=0.3 W K{sup -1} m{sup -1} and the Seebeck coefficient is S=43 {mu}V K{sup -1}. -- Graphical Abstract: Copper cations easily move through the rigid tubular crystal structure of Cu{sub 22}Bi{sub 12}S{sub 21}Cl{sub 16}. Display Omitted

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Observable consequences of event-by-event fluctuations of HBT radii

We explore the effects of event-by-event fluctuations of Hanbury Brown–Twiss (HBT) radii and show how they can be observed experimentally. The relation of measured HBT radii extracted from ensemble-averaged correlation functions to the mean of their event-by-event probability distribution is clarified. Here, we propose a method to experimentally determine the mean and variance of this distribution and test it on an ensemble of fluctuating events generated with the viscous hydrodynamic code VISH2+1. Using the same code, the sensitivity of the mean and variance of the HBT radii to the specific QGP shear viscosity $\eta$/s is studied. We report sensitivity of the mean pion HBT radii and their variances to the temperature dependence of \eta/s near the quark-hadron transition at a level similar (10-20%) to that which was previously observed for elliptic and quadrangular flow of charged hadrons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

On the possibility of singlet fission in crystalline quaterrylene

Singlet fission (SF), the spontaneous down-conversion of a singlet exciton into two triplet excitons residing on neighboring molecules, is a promising route to improve organic photovoltaic (OPV) device efficiencies by harvesting two charge carriers from one photon. However, only a few materials have been discovered that exhibit intermolecular SF in the solid state, most of which are acene derivatives. Recently, there has been a growing interest in rylenes as potential SF materials. We use many-body perturbation theory in the GW approximation and the Bethe-Salpeter equation to investigate the possibility of intermolecular SF in crystalline perylene and quaterrylene. Here, a new method is presented for determining the percent charge transfer (%CT) character of an exciton wave-function from double-Bader analysis. This enables relating exciton probability distributions to crystal packing. Based on comparison to known and predicted SF materials with respect to the energy conservation criterion (E S -2E T ) and %CT, crystalline quaterrylene is a promising candidate for intermolecular SF. Furthermore, quaterrylene is attractive for OPV applications, thanks to its high stability and narrow optical gap. Perylene is not expected to exhibit SF; however, it is a promising candidate for harvesting sub-gap photons by triplet-triplet annihilation.

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

Evolution of the age-included nearest pair distribution in disperse multiphase flows

The age of the nearest particle pair is introduced as the difference between the current time and the most recent time when the nearest particle pair was formed. The evolution equation for the age-included nearest pair distribution function is derived. With the assumption of random destruction of the nearest particle pairs, the evolution equation predicts the exponential probability distribution of the ages of the nearest particle pairs. Particle-resolved numerical simulations with moving particles are performed to verify this prediction. The equation is then used to derive the evolution equation for the particle–fluid–particle (PFP) stress, which is known to be related to hyperbolicity of the two-fluid equations. It is found that the relaxation time of the age probability distribution is also the relaxation time for the PFP stress. Guided by the closure terms in the PFP stress evolution equation, we study kinematics of the nearest particle pairs in the particle-resolved simulations for flows caused by sedimentation of the particles with initially isotropic and homogeneous particle distributions. At the steady states, the particle Reynolds numbers are around 20. Anisotropy and inhomogeneity of particle distributions are seen to develop in these flows. The mean distances to the nearest particles and evolution of the distribution of the Voronoi cell volumes are studied. We also found the PFP stress is closely related to the changes in these inter-particle scale quantities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗