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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Path integrals, complex probabilities and the discrete Weyl representation

Abstract A discrete formulation of the real-time path integral as the expectation value of a functional of paths with respect to a complex probability on a sample space of discrete valued paths is explored. The formulation in terms of complex probabilities is motivated by a recent reinterpretation of the real-time path integral as the expectation value of a potential functional with respect to a complex probability distribution on cylinder sets of paths. The discrete formulation in this work is based on a discrete version of the Weyl algebra that can be applied to any observable with a finite number of outcomes. The origin of the complex probability in this work is the completeness relation. In the discrete formulation the complex probability exactly factors into products of conditional probabilities and exact unitarity is maintained at each level of approximation. The approximation of infinite dimensional quantum systems by discrete systems is discussed. The method is illustrated by applying it to scattering theory and quantum field theory. The implications of these applications for quantum computing is discussed.

Physics↗
DOE OSTI2023

Count Every Trip: Finding the Uncertainty in Energy Estimates Made from Inferred Travel Modes

To properly inform transport policy and infrastructure changes, transportation related metrics need both measured values and uncertainties of those values. Travel monitoring smartphone apps can record people's travel behavior, but trip data quality is limited by sensor errors, user labeling rates and the accuracy of inference algorithms used for travel diary creation. We discuss the use of phone app recorded travel diary data to estimate energy consumption, and propose the use of propagation of variance to find error bars for such estimates. We define energy consumption for one trip as trip length times the energy intensity per distance unit of the travel mode used. We characterize trip length errors with relative error and inferred trip mode errors with confusion matrix columns. The resulting variances of each measurement are then propagated to the final calculated energy consumption. We tested our uncertainty methods on a dataset that used phone app data combined with prompted recall, consisting of 92,234 labeled trips for over 500,000 miles. Accounting for uncertainty using expected energy intensities and variance propagation gives a dataset-wide aggregate energy consumption percent error of about 9%, within one standard deviation from the truth. Future work could involve applying similar methods to other travel diary based metrics.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Designing Hydropower Flows to Balance Energy and Environmental Needs (HydroWIRES Topic A Final Project Report)

Hydropower is expected to play a new role in the US electricity grid as more variable renewable energy sources like wind and solar come online. Wind and solar generation increase fluctuations in electrical supply increasing the value of flexible generation sources that can quickly ramp generation up and down. The flexible generation hydropower can provide as well as the ancillary services (e.g., frequency and voltage regulation and reserves, black start capability) it provides for balancing and stabilizing the power grid are predicted to be of increased value in these future grid scenarios. Yet, the flexibility of hydropower may come with environmental costs due to up- and down-ramping of hydropower plants (i.e., quickly increasing or decreasing generation flows, respectively) which may strand fish, dewater or scour fish nests, alter habitat, or create unsafe recreational conditions that may be unacceptable to participants in the hydropower regulatory process. These types of environmental impacts are often mitigated through environmental flow requirements that specify minimum or maximum flow releases, or ramp-rates changes allowed at a hydropower facility. While it is not currently known to what degree electrical grid reliability could be affected by environmental flow requirements, gaining a better understanding of these interactions before the grid becomes more deeply decarbonized can help define what policy, regulation, or infrastructure may be needed to support the clean energy transition. As the future grid will rely on hydropower to provide both flexibility and robust environmental protections, the analyses and tools described in this report are centered on making mechanistic linkages between energy and the environment in hydropower systems. This understanding of energy-environment linkages can provide the foundational understanding needed to quantitatively assess the trade-offs between the increased generation flexibility that hydropower will be expected to provide and the environmental impacts of this flexibility. This report seeks to provide an objective foundation for building future science and tools that can be used by a broad spectrum of the hydropower community that is involved in licensing or environmental regulatory proceedings tasked with balancing energy and environmental objectives through flow management.

13 HYDRO ENERGY↗
DOE OSTI2020

A non-intrusive optical (NIO) approach to characterize heliostats in utility-scale power tower plants: Methodology and in-situ validation

No reliable in-situ optical characterization tool is available that can efficiently and accurately measure various optical errors of individual heliostats in a utility-scale power-tower plant. Here, an innovative non-intrusive optical (NIO) approach is proposed to measure mirror surface slope error, mirror facet canting error, and heliostat tracking error based on reflection images using the natural target—the tower—in a heliostat field. The NIO approach adopts various techniques in photogrammetry, reflectometry, and geometrical optics to first determine the camera position and the actual tower position with respect to the heliostat. Then, Snell’s law is applied to find the surface normal at the reflection point or line of a reflection image and derive the surface slope error, mirror facet canting error, and heliostat tracking error accordingly. In addition, an in-situ validation is performed to demonstrate the feasibility of the NIO approach. Analysis with multiple sets of reflection images on one single heliostat of interest demonstrates that the NIO method can achieve a measurement uncertainty of 0.22 mrad for mirror facet slope error (root-mean-square) at the given test conditions. The sensitivity of measurement uncertainty to various parameters will be presented in a separate work. In the future, state-of-the-art unmanned aerial systems (UAS) are planned to perform the efficient image collection with a goal to complete the survey across a utility-scale field of over 10,000 heliostats within one or a few days depending on the number of UASs. The development of the NIO approach is expected to fill the critical gap for successful solar-field operation and maintenance, which is necessary for the global growth of the solar power-tower technology. The NIO approach can also be applied to any relevant industry requiring high-precision mirror surface shape characterization.

14 SOLAR ENERGY↗
DOE OSTI2021

Are Remote Sensing Evapotranspiration Models Reliable Across South American Ecoregions?

Many remote sensing-based evapotranspiration (RSBET) algorithms have been proposed in the past decades and evaluated using flux tower data, mainly over North America and Europe. Model evaluation across South America has been done locally or using only a single algorithm at a time. Here, in this work, we provide the first evaluation of multiple RSBET models, at a daily scale, across a wide variety of biomes, climate zones, and land uses in South America. We used meteorological data from 25 flux towers to force four RSBET models: Priestley–Taylor Jet Propulsion Laboratory (PT-JPL), Global Land Evaporation Amsterdam Model (GLEAM), Penman–Monteith Mu model (PM-MOD), and Penman–Monteith Nagler model (PM-VI). ET was predicted satisfactorily by all four models, with correlations consistently higher (R 2 > 6) for GLEAM and PT-JPL, and PM-MOD and PM-VI presenting overall better responses in terms of percent bias (-10 < PBIAS < 10%). As for PM-VI, this outcome is expected, given that the model requires calibration with local data. Model skill seems to be unrelated to land-use but instead presented some dependency on biome and climate, with the models producing the best results for wet to moderately wet environments. Our findings show the suitability of individual models for a number of combinations of land cover types, biomes, and climates. At the same time, no model outperformed the others for all conditions, which emphasizes the need for adapting individual algorithms to take into account intrinsic characteristics of climates and ecosystems in South America.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A platform for non-local thermodynamic equilibrium atomic physics research using the buried layer target approach at a kJ level laser facility

Here we present a design and first use of a kJ level laser facility for research of non-local thermodynamic equilibrium atomic physics using the buried layer target method. The target design included a metal layer buried inside a plastic tamper with thicknesses tailored to the expected laser intensities. The target was illuminated from each side by two laser beams with intensities of 0.5–5 × 10 14 W/cm 2 . The advanced diagnostic suite included static and time-resolved imagers and spectrometers with various spectral resolutions. A 3D printed dual elliptically curved spectrometer is presented, and its results are compared to a traditional crystal spectrometer. Experimental results and radiation hydrodynamic simulations demonstrate that the target achieved the desired thermodynamic conditions of n e ≈ 10 21 –10 22 cm -3 and T e ≈ 1–2 keV.

3D printing↗
DOE OSTI2022

Magnetic fields in the formation of the first stars – II. Results

ABSTRACT Beginning with cosmological initial conditions at z = 100, we simulate the effects of magnetic fields on the formation of Population III stars and compare our results with the predictions of Paper I. We use gadget-2 to follow the evolution of the system while the field is weak. We introduce a new method for treating kinematic fields by tracking the evolution of the deformation tensor. The growth rate in this stage of the simulation is lower than expected for diffuse astrophysical plasmas, which have a very low resistivity (high magnetic Prandtl number); we attribute this to the large numerical resistivity in simulations, corresponding to a magnetic Prandtl number of order unity. When the magnetic field begins to be dynamically significant in the core of the minihalo at z = 27, we map it on to a uniform grid and follow the evolution in an adaptive mesh refinement, MHD simulation in orion2. The non-linear evolution of the field in the orion2 simulation violates flux-freezing and is consistent with the theory proposed by Xu & Lazarian. The fields approach equipartition with kinetic energy at densities ∼1010–1012 cm−3. When the same calculation is carried out in orion2 with no magnetic fields, several protostars form, ranging in mass from ∼1 to 30 M⊙; with magnetic fields, only a single ∼30 M⊙ protostar forms by the end of the simulation. Magnetic fields thus suppress the formation of low-mass Pop III stars, yielding a top-heavy Pop III initial mass function and contributing to the absence of observed Pop III stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Dynamic, symmetry-preserving, and hardware-adaptable circuits for quantum computing many-body states and correlators of the Anderson impurity model

We present a hardware-reconfigurable ansatz on N q -qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with N imp + N bath = N q /2 sites, which conserves total charge and spin z component within each variational search subspace. The many-body ground state of the AIM is determined as the minimum over all minima of O(N$^2_ q$) distinct charge-spin sectors. Hamiltonian expectation values are shown to require ω(N q ) < N meas. $\leqslant$ O(N imp N bath ) symmetry-preserving, parallelizable measurement circuits, each amenable to postselection. To obtain the one-particle impurity Green’s function we show how initial Krylov vectors can be computed via midcircuit measurement and how Lanczos iterations can be computed using the symmetry-preserving ansatz. For a single-impurity Anderson model with a number of bath sites increasing from one to seven, we show using numerical emulation that the ease of variational ground-state preparation is suggestive of linear scaling in circuit depth and subquartic scaling in optimizer complexity. We therefore expect that, combined with time-dependent methods for Green’s function computation, our ansatz provides a useful tool to account for electronic correlations on early fault-tolerant processors. Finally, with a view towards computing real materials properties of interest like magnetic susceptibilities and electron-hole propagators, we provide a straightforward method to compute many-body, time-dependent correlation functions using a combination of time evolution, midcircuit measurement-conditioned operations, and the Hadamard test.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimising response to an introduction of African swine fever in wild pigs

African swine fever virus (ASFv) is a virulent pathogen that threatens domestic swine industries globally and persists in wild boar populations in some countries. Persistence in wild boar can challenge elimination and prevent disease-free status, making it necessary to address wild swine in proactive response plans. In the United States, invasive wild pigs are abundant and found across a wide range of ecological conditions that could drive different epidemiological dynamics among populations. Information on the size of the control areas required to rapidly eliminate the ASFv in wild pigs and how this area should change with management constraints and local ecology is needed to optimize response planning. We developed a spatially explicit disease transmission model contrasting wild pig movement and contact ecology in two ecosystems in Southeastern United States. We simulated ASFv spread and determined the optimal response area (reported as the radius of a circle) for eliminating ASFv rapidly over a range of detection times (when ASFv was detected relative to the true date of introduction), culling capacities (proportion of wild pigs in the culling zone removed weekly) and wild pig densities. Large radii for response areas (14 km) were needed under most conditions but could be shortened with early detection (≤ 8 weeks) and high culling capacities (≥ 15% weekly). Under most conditions, the ASFv was eliminated in less than 22 weeks using optimal control radii, although ecological conditions with high rates of wild pig movement required higher culling capacities (≥ 10% weekly) for elimination within 1 year. The results highlight the importance of adjusting response plans based on local ecology and show that wild pig movement is a better predictor of the optimal response area than the number of ASFv cases early in the outbreak trajectory. Furthermore, our framework provides a tool for determining optimal control plans in different areas, guiding expectations of response impacts, and planning resources needed for rapid elimination.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Large-scale parametric modeling of spent nuclear fuel dynamics in the 30 cm package drop scenario

Packages used to transport spent nuclear fuel (SNF) are required by the U.S. Code of Federal Regulations 10 CFR 71.71 to demonstrate satisfactory performance during a drop scenario. While the CFR is meant to ensure safe package function, it does not evaluate survival of the SNF within. The U.S. Department of Energy Spent Fuel and Waste Science and Technology program is working on closing the knowledge gap related to the response of SNF to external mechanical loads, including the hypothetical 30 cm package drop scenario in the CFR. In support of this effort, LS-DYNA finite element simulations were developed by Pacific Northwest National Laboratory (PNNL) to model generic drop scenarios at both the package and fuel assembly level. The models were validated against one-third scale package and full scale fuel assembly drop test data and were exercised to predict fuel cladding strains in a narrow range of model configurations. This work describes a large-scale parametric study conducted by PNNL using the previously developed and validated PWR finite element model, with the addition of a new generic BWR assembly model. The motivation for the parametric study was to characterize the broad range of SNF responses in the 30 cm package drop scenario. This was accomplished by varying the drop orientation, fuel assembly type (17x17 PWR and 10x10 BWR), burnup, cladding temperature, spacer grid buckling load, package mass, impact limiter stiffness, and mechanical gap conditions within the basket. A MATLAB framework was developed to automate LS-DYNA model generation and execution on PNNL institutional computing resources. In total, over 2000 simulations were performed. For each simulation, the SNF response was quantified in terms of permanent grid deformation, fuel rod contact pressure, and strains within the fuel rods, guide tubes, and water rods. The results provide valuable insight into the range of responses that could be reasonably expected from SNF in the hypothetical drop scenario, as well as the sensitivity to each input parameter. The results of this parametric study are a key component of the testing and modeling strategy the Spent Fuel and Waste Science and Technology program is using to close the external loads knowledge gap.

Kadooka, Kevin↗
DOE OSTI2021

Photonic Doppler Velocimetry for Valve Analysis and Surveillance

This study is an experimental evaluation to measure and surveil the velocity of stainless steel (Carpenter 455) pistons within a forged 21-6-9 stainless steel valve body. The velocity of the piston “stroke” will be identified using Photonic Doppler Velocimetry (PDV). The piston velocity will be the measured variable of interest. The outcome of this testing series provides further understanding to whether the extracted piston velocity can provide enough information to determine valve integrity. PDV has been identified as a diagnostic of interest as it can detect surface motion at high speeds with reliable accuracy. Through preliminary studies conducted with velocity interferometer system for any reflector (VISAR), the velocity of the piston is expected to stroke with a speed of 135 m/s. The PDV technique is much more reliable and repeatable than the VISAR technique because of its high-speed precision and accuracy, so it will not only validate the preliminary data, but also provide a testing technique that is capable of being used in future valve qualification efforts. The initial testing was completed using valves that were assembled per qualified procedures in a pristine condition. These initial tests were conducted to provide baseline data. This baseline data was then compared to data collected from valves where man-made defects were introduced. These defects are discussed in later sections. Lastly, actuators used to operate the valves were loaded with varied amounts of high explosives to identify if velocity is a function of the amount of explosive in an actuator. These parameters were adjusted to conclusively determine and identify if PDV can be used as a method to assess valve integrity. It was concluded through the testing discussed in this paper that in fact, PDV is capable of measuring the differences in piston velocities based on varied parameters. As far as understanding the PDV accuracy of the measured differences, this is ongoing and will have to be assessed in continued testing series.

42 ENGINEERING↗
DOE OSTI2022

Probing the solidification of quasicrystals via joint experiment and simulation (Final Report)

Quasicrystals (QCs) possess long-range positional order but non-crystallographic orientational order. Their classically ‘forbidden’ symmetry has long attracted the interest of scientists worldwide. Despite their frequent observation in both metal alloys and soft matter structures in the 35 years since their discovery, little is known about how QCs evolve from a liquid, amorphous, or crystalline precursor. In this project, we sought to resolve the enigma of QC self-assembly through a combined experimental and computational program. The Shahani group employed in situ electron and synchrotron X ray imaging to peer into the growth dynamics of QCs in a liquid, covering a broad range of length scales and solidification pathways. Glotzer's team developed new simulation models incorporating phasonic defects — which are unique to quasicrystals — and used this model to investigate two grains growing together, closely mimicking the experimental conditions. While QCs remain exceptional structures, most compounds in the realm of intermetallics adopt non-trivial geometries. In fact, only around 6% of phases are comprised of the simplest sphere packings that researchers so readily associate with metals. State-of-the-art knowledge of phase transformations at the outset of this collaborative project did not encompass the remaining 94% of intermetallic compounds that possess complex and aperiodic structure types. Therefore, we expect that outcomes from this project will have immediate and profound impact on synthesis and processing science: our efforts will be used to not only explain the growth dynamics of QCs but also complex intermetallics more broadly.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The CMS Phase II Outer Tracker Upgrade at Fermilab

The Large Hadron Collider (LHC) will be upgraded to increase the instantaneous luminosity up to 5−7.5×10 34 cm −2 s −1 . To face these challenging conditions the CMS tracking system must be updated, using modules that on the one hand are able to cope with high radiations and on the other hand can provide information to the L-1 trigger selection. This report describes the results of some tests on the new tracking modules at the FNAL test beam facility. In particular half of one module was irradiated by 400 MeV protons (total fluence comparable to the one expected through the lifetime of the experiment) and then some analysis were performed on both the irradiated and not irradiated side of the detector with a 120 GeV proton beam. In this report, the efficiency and noise occupancy analysis are presented, with focus on the main critical issues encountered.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Stereo Camera Deployment in Support of TRACER (Field Campaign Report)

An improved understanding of the salient environmental controls on cloud formation, evolution, and eventual dissipation is critical to address ongoing challenges with cloud process and parameterization representations in global climate and Earth system models. One goal for the recent U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Tracking Aerosol Convection Interactions Experiment (TRACER) campaign was to collect a comprehensive data set that enabled such convective cloud process studies and key demonstrations for those controls that influenced cloud life cycle (i.e., aerosols, thermodynamics) in the Houston, Texas region. To help accomplish this, ARM instrumentation during TRACER was tasked with tracking a large number of individual, isolated convective cells – and to follow the evolution of these cells at high spatiotemporal resolution to characterize changes in cloud dynamic and microphysical properties. Since Houston experiences a range of convective clouds, it was known that the standard ARM Mobile Facility (AMF) instruments may not be sufficient to completely document initiating, transient, or dissipating low- or shallow-cloud behaviors that were also expected during this campaign (in terms of sensitivity, resolution, and/or operational availability). As one partial solution, a supplemental stereo camera deployment (this sub-campaign) was requested to augment the ARM AMF instrumentation to better address shallow and shallow-to-deep transitional types of cloud process drivers during TRACER (ARM stereo cameras for clouds [STEREOCAM]; Romps and Öktem 2018). The primary scientific focus was the relationships between cloud properties and the ambient conditions, which points to several key TRACER science questions including: ‘What is the relationship between cloud size or updraft intensity to the environmental wind shear and/or humidity?’ Overall, the ARM TRACER stereo camera deployment demonstrated unique effectiveness in observing a wide range of critical shallow, congestus, and transitioning or time-evolving cloud characteristics. The data sets from these cameras include information on the clouds' horizontal dimensions, elevations, and depths, while also enabling potential products for cloud initiation and dissipation rates, and vertical velocities. Stereo cameras simultaneously inform on cloud life cycle stage and spatial properties such as cloud fractional coverage, which should provide complementary information for ARM users when combined with TRACER cloud radars, lidar, and/or other profiling sensors. Moreover, camera products offer large-eddy simulation (LES),-scale-appropriate cloud coverage, depth, and spatial variability estimates, while opening additional avenues to challenge difficult process questions on cloud updrafts/entrainment and their covariability with environmental controls such as wind shear and humidity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Modeling the Impact of Riparian Hollows on River Corridor Nitrogen Exports

Recent studies in snowmelt-dominated catchments have documented changes in nitrogen (N) retention over time, such as declines in watershed exports of N, though there is a limited understanding of the controlling processes driving these trends. Working in the mountainous headwater East River Colorado watershed, we explored the effects of riparian hollows as N-cycling hotspots and as important small-scale controls on observed watershed trends. Using a modeling-based approach informed by remote sensing and in situ observations, we simulated the N-retention capacity of riparian hollows with seasonal and yearly hydrobiogeochemical perturbations imposed as drivers. We then implemented a scaling approach to quantify the relative contribution of riparian hollows to the total river corridor N budget. We found that riparian hollows primarily serve as N sinks, with N-transformation rates significantly limited by periods of enhanced groundwater upwelling and promoted at the onset of rainfall events. Given these observed hydrologic controls, we expect that the nitrate ( NO 3 - ) sink capacity of riparian hollows will increase in magnitude with future climatic perturbations, specifically the shift to more frequent rainfall events and fewer snowmelt events, as projected for many mountainous headwater catchments. Our current estimates suggest that while riparian hollows provision ~5–20% of NO 3 - to the river network, they functionally act as inhibitors to upland NO 3 - reaching the stream. Our work linking transient hydrological conditions to numerical biogeochemical simulations is an important step in assessing N-retaining features relative to the watershed N budget and better understanding the role of small-scale features within watersheds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Variational Information Planning for Sequential Decision Making

We consider the setting of sequential decision making where, at each stage, potential actions are evaluated based on expected reduction in posterior uncertainty, given by mutual information (MI). As MI typically lacks a closed form, we propose an approach which maintains variational approximations of, both, the posterior and MI utility. Our planning objective extends an established variational bound on MI to the setting of sequential planning. The result, variational information planning (VIP), is an efficient method for sequential decision making. We further establish convexity of the variational planning objective and, under conditional exponential family approximations, we show that the optimal MI bound arises from a relaxation of the well-known exponential family moment matching property. Here, we demonstrate VIP for sensor selection, experiment design, and active learning, where it meets or exceeds methods requiring more computation, or those specialized to the task.

Pacheco, Jason↗
DOE OSTI2026

Simulation and Experimental Validation of an Integrated Heat Pump – Thermal Energy Storage Using a Room-Temperature Phase Change Material

As the dependence on electrical heat pumps (HPs) and intermittent renewables increases, grid strains are expected to grow. This necessitates an energy storage system to reduce the mismatch between energy supply and demand. Thus, a proposed dual-mode commercially available 14.1 kW HP was integrated with a single 22°C phase change material (PCM) thermal storage system (TES) to load-shift both cooling and heating loads. The HP-TES system was manufactured and experimentally tested using a novel test matrix based on AHRI 210/240 psychrometric conditions. Furthermore, transient dual-mode system-level HP-TES models were developed in Modelica and validated using the experimental test conditions. Base HP cooling and heating experimental tests at ambient temperatures of 35°C and −8.3°C show that the modified HP-TES maintained the rated system capacity and performance. The HP-TES discharge provided approximately 30% and 50% reductions in cooling and heating demand, respectively. The transient HP-TES models predicted system capacity and total power input for discharge and recharge operating modes within ±4% mean percentage error, and recharge power input within ±2%, with maximum errors occurring at the equipment startup. During system operation, the sources of model deviations are first-order polynomial fits of the PCM digital scanning calorimetry (DSC) data and unaccounted supercooling in the PCM during solidification. Nonetheless, the model predictions agree with the experimental tests, demonstrating the availability of robust, accurate, and validated transient models that can be used for further validation and the development of system controls.

25 ENERGY STORAGE↗