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DOE OSTI2016

Plasma electron hole kinematics. II. Hole tracking Particle-In-Cell simulation

The kinematics of a 1-D electron hole is studied using a novel Particle-In-Cell simulation code. A hole tracking technique enables us to follow the trajectory of a fast-moving solitary hole and study quantitatively hole acceleration and coupling to ions. We observe a transient at the initial stage of hole formation when the hole accelerates to several times the cold-ion sound speed. Artificially imposing slow ion speed changes on a fully formed hole causes its velocity to change even when the ion stream speed in the hole frame greatly exceeds the ion thermal speed, so there are no reflected ions. The behavior that we observe in numerical simulations agrees very well with our analytic theory of hole momentum conservation and the effects of “jetting.”.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Simulation-aided occupant-centric building design: A critical review of tools, methods, and applications

Occupants are active participants in their built environment, affecting its performance while simultaneously being affected by its design and indoor environmental conditions. With recent advances in computer modeling, simulation tools, and analysis techniques, topics such as human-building interactions and occupant behavior have gained significant interest in the literature given their premise of improving building design processes and operating strategies. In practice, the focus of occupant-centric literature has been mostly geared towards the latter (i.e., operation), leaving the implications on building design practices underexplored. This paper fills the gap by providing a critical review of existing studies applying computer-based modeling and simulation to guide occupant-centric building design. The reviewed papers are organized along four main themes, namely occupant-centric: (i) metrics of building performance, (ii) modeling and simulation approaches, (iii) design methods and applications, and (iv) supporting practices and mechanisms. Important barriers are identified for a more effective application of occupant-centric building design practices, including the limited consideration of metrics beyond energy efficiency (e.g., occupant well-being and space planning), the limited implementation and validation of the proposed methods, and the lack of integration of occupant behavior modeling in existing building performance simulation tools. Finally, future research directions are discussed, covering large-scale international data collection efforts to move from generic assumptions about occupant behavior to specific/localized knowledge, improved metrics of measuring building performance, and improved industry practices, such as building codes, to promote an occupant-in-the-loop approach to the building design process.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Generalizability analysis of tool condition monitoring ensemble machine learning models

Tool condition monitoring (TCM) is an essential research area for the optimization and automation of metal machining processes, and could help manufacturers reduce costs, production time, machine downtime, energy use, and part scrappage. However, TCM systems developed in prior studies have struggled to reach the high level of generalizability which is necessary for industrial applications. This study addresses TCM system generalizability to new machining conditions, how variations in machining and environmental conditions may be used to improve model generalizability, and ensemble machine learning techniques for TCM. Further, milling tool life experiments were conducted using various machining conditions, and the processes' sound, spindle power, and axial load signals were collected. Different machine learning models were evaluated for the prediction of tool wear levels, including four individual models and five ensemble models. Changes in cutting speed were found to display a large effect on model performance, while the chip load showed some effect, and the feed rate had little effect. A simulated noise data augmentation technique for model improvement is applied within TCM for the first time, and resulted in increased model generalizability and reduced overfitting. Across several performance metrics the extremely randomized trees ensemble machine learning model generally performed the best for this application, achieving a leave-one-group-out cross validation accuracy score of 92.4 %, a 10-fold cross validation score of 98.9 %, and an averaged accuracy across 11 generalizability tests of 87.3 %.

42 ENGINEERING↗

NASA NTRS1989

Helicopter flight control system design and evaluation for NOE operations using controller inversion techniques

A flight control system design technique is described that allows rapid evaluation of candidate control laws using computer simulated trajectories. The two-step technique first computes the optimum trajectory for the basic aircraft, and then reconstructs the pilot's control displacements necessary to fly this trajectory, given a particular control system architecture. Since the flight control system itself does not add to the acceleration potential of the helicopter, one may evaluate several proposed control laws in terms of the resulting stick inputs for the same maneuver. The method is illustrated through application to implicit and explicit model-following control laws designed for a battlefield helicopter with and without an auxiliary propulsor. It is shown that the technique is a valuable aid for selection of promising control laws for further simulator studies and flight investigations.

Mckillip, Robert M., Jr.↗

NASA NTRS1997

Neural Network Prediction of Failure of Damaged Composite Pressure Vessels from Strain Field Data Acquired by a Computer Vision Method

This effort used a new and novel method of acquiring strains called Sub-pixel Digital Video Image Correlation (SDVIC) on impact damaged Kevlar/epoxy filament wound pressure vessels during a proof test. To predict the burst pressure, the hoop strain field distribution around the impact location from three vessels was used to train a neural network. The network was then tested on additional pressure vessels. Several variations on the network were tried. The best results were obtained using a single hidden layer. SDVIC is a fill-field non-contact computer vision technique which provides in-plane deformation and strain data over a load differential. This method was used to determine hoop and axial displacements, hoop and axial linear strains, the in-plane shear strains and rotations in the regions surrounding impact sites in filament wound pressure vessels (FWPV) during proof loading by internal pressurization. The relationship between these deformation measurement values and the remaining life of the pressure vessels, however, requires a complex theoretical model or numerical simulation. Both of these techniques are time consuming and complicated. Previous results using neural network methods had been successful in predicting the burst pressure for graphite/epoxy pressure vessels based upon acoustic emission (AE) measurements in similar tests. The neural network associates the character of the AE amplitude distribution, which depends upon the extent of impact damage, with the burst pressure. Similarly, higher amounts of impact damage are theorized to cause a higher amount of strain concentration in the damage effected zone at a given pressure and result in lower burst pressures. This relationship suggests that a neural network might be able to find an empirical relationship between the SDVIC strain field data and the burst pressure, analogous to the AE method, with greater speed and simplicity than theoretical or finite element modeling. The process of testing SDVIC neural network analysis and some encouraging preliminary results are presented in this paper. Details are given concerning the processing of SDVIC output data such that it may be used as back propagation neural network (BPNN) input data. The software written to perform this processing and the BPNN algorithm are also discussed. It will be shown that, with limited training, test results indicate an average error in burst pressure prediction of approximately six percent,

Russell, Samuel S.↗

DOE OSTI2024

The reactivity of experimentally reduced lunar regolith simulants: Health implications for future crewed missions to the lunar surface

Crewed missions to the Moon may resume as early as 2026 with NASA's Artemis III mission, and lunar dust exposure/inhalation is a potentially serious health hazard that requires detailed study. Current dust exposure limits are based on Apollo-era samples that spent decades in long-term storage on Earth; their diminished reactivity may lead to underestimation of potential harm that could be caused by lunar dust exposure. In particular, lunar dust contains nanophase metallic iron grains, produced by “space weathering”; the reactivity of this unique component of lunar dust is not well understood. Herein, we employ a chemical reduction technique that exposes lunar simulants to heat and hydrogen gas to produce metallic iron particles on grain surfaces. We assess the capacity of these reduced lunar simulants to generate hydroxyl radical (OH*) when immersed in deionized (DI) water, simulated lung fluid (SLF), and artificial lysosomal fluid (ALF). Lunar simulant reduction produces surface-adhered metallic iron “blebs” that resemble nanophase metallic iron particles found in lunar dust grains. Reduced samples generate ~5–100× greater concentrations of the oxidative OH* in DI water versus non-reduced simulants, which we attribute to metallic iron. SLF and ALF appear to reduce measured OH*. The increase in observed OH* generation for reduced simulants implies high oxidative damage upon exposure to lunar dust. Low levels of OH* measured in SLF and ALF imply potential damage to proteins or quenching of OH* generation, respectively. Reduction of lunar dust simulants provides a quick cost-effective approach to study dusty materials analogous to authentic lunar dust.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Computational Power of Random Quantum Circuits in Arbitrary Geometries

Empirical evidence for a gap between the computational powers of classical and quantum computers has been provided by experiments that sample the output distributions of two-dimensional quantum circuits. Many attempts to close this gap have utilized classical simulations based on tensor network techniques, and their limitations shed light on the improvements to quantum hardware required to frustrate classical simulability. In particular, quantum computers having in excess of approximately 50 qubits are primarily vulnerable to classical simulation due to restrictions on their gate fidelity and their connectivity, the latter determining how many gates are required (and, therefore, how much infidelity is suffered) in generating highly entangled states. Here, we describe recent hardware upgrades to Quantinuum’s H2 quantum computer, enabling it to operate on up to 56 qubits with arbitrary connectivity and 99.843(5)% two-qubit gate fidelity. We define a class of circuits with random geometries that become hard to classically simulate in very low depth and implement them utilizing the flexible connectivity of H2. A careful analysis demonstrating the fast saturation of classical simulation complexity with depth indicates that H2 can yield data well beyond the reach of state-of-the art classical simulation methods at unprecedented fidelities. We find that the considerable difficulty of classically simulating H2 is likely limited only by qubit number, demonstrating the promise and scalability of the quantum charge-coupled device architecture as continued progress is made toward building larger machines. Published by the American Physical Society 2025

DeCross, M.↗

NASA NTRS1974

Geothermal reservoir simulation

The prediction of long-term geothermal reservoir performance and the environmental impact of exploiting this resource are two important problems associated with the utilization of geothermal energy for power production. Our research effort addresses these problems through numerical simulation. Computer codes based on the solution of partial-differential equations using finite-element techniques are being prepared to simulate multiphase energy transport, energy transport in fractured porous reservoirs, well bore phenomena, and subsidence.

Mercer, J. W., Jr.↗

NASA NTRS1984

Analysis techniques for tracer studies of oxidation

Analysis techniques to obtain quantitative diffusion data from tracer concentration profiles were developed. Mass balance ideas were applied to determine the mechanism of oxide growth and to separate the fraction of inward and outward growth of oxide scales. The process of inward oxygen diffusion with exchange was theoretically modelled and the effect of lattice diffusivity, grain boundary diffusivity and grain size on the tracer concentration profile was studied. The development of the tracer concentration profile in a growing oxide scale was simulated. The double oxidation technique was applied to a FeCrAl-Zr alloy using 0-18 as a tracer. SIMS was used to obtain the tracer concentration profile. The formation of lacey oxide on the alloy was discussed. Careful consideration was given to the quality of data required to obtain quantitative information.

Basu, S. N.↗

DOE OSTI2016

DERIVING THE PROPERTIES OF CORONAL PRESSURE FRONTS IN 3D: APPLICATION TO THE 2012 MAY 17 GROUND LEVEL ENHANCEMENT

We study the link between an expanding coronal shock and the energetic particles measured near Earth during the ground level enhancement of 2012 May 17. We developed a new technique based on multipoint imaging to triangulate the three-dimensional (3D) expansion of the shock forming in the corona. It uses images from three vantage points by mapping the outermost extent of the coronal region perturbed by the pressure front. We derive for the first time the 3D velocity vector and the distribution of Mach numbers, M {sub FM}, of the entire front as a function of time. Our approach uses magnetic field reconstructions of the coronal field, full magnetohydrodynamic simulations and imaging inversion techniques. We find that the highest M {sub FM} values appear near the coronal neutral line within a few minutes of the coronal mass ejection onset; this neutral line is usually associated with the source of the heliospheric current and plasma sheet. We illustrate the variability of the shock speed, shock geometry, and Mach number along different modeled magnetic field lines. Despite the level of uncertainty in deriving the shock Mach numbers, all employed reconstruction techniques show that the release time of GeV particles occurs when the coronal shock becomes super-critical ( M {sub FM} > 3). Combining in situ measurements with heliospheric imagery, we also demonstrate that magnetic connectivity between the accelerator (the coronal shock of 2012 May 17) and the near-Earth environment is established via a magnetic cloud that erupted from the same active region roughly five days earlier.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Eastern Renewable Generation Integration Study

The Eastern Interconnection (EI) is one of the largest power systems in the world, and its size and complexity have historically made it difficult to study in high levels of detail in a modeling environment. In order to understand how this system might be impacted by high penetrations (30% of total annual generation) of wind and solar photovoltaic (PV) during steady state operations, the National Renewable Energy Laboratory (NREL) and the U.S. Department of Energy (DOE) conducted the Eastern Renewable Generation Integration Study (ERGIS). This study investigates certain aspects of the reliability and economic efficiency problem faced by power system operators and planners. Specifically, the study models the ability to meet electricity demand at a 5-minute time interval by scheduling resources for known ramping events, while maintaining adequate reserves to meet random variation in supply and demand, and contingency events. To measure the ability to meet these requirements, a unit commitment and economic dispatch (UC&ED) model is employed to simulate power system operations. The economic costs of managing this system are presented using production costs, a traditional UC&ED metric that does not include any consideration of long-term fixed costs. ERGIS simulated one year of power system operations to understand regional and sub-hourly impacts of wind and PV by developing a comprehensive UC&ED model of the EI. In the analysis, it is shown that, under the study assumptions, generation from approximately 400 GW of combined wind and PV capacity can be balanced on the transmission system at a 5-minute level. In order to address the significant computational burdens associated with a model of this detail we apply novel computing techniques to dramatically reduce simulation solve time while simultaneously increasing the resolution and fidelity of the analysis. Our results also indicate that high penetrations of wind and PV (collectively variable generation (VG)), significantly impact the operation of traditional generating resources and cause these resources to be used less frequently and operate across a broader output range because wind and PV have lower operating costs and variable output levels.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2017

Application of Background Oriented Schlieren for Altitude Testing of Rocket Engines

A series of experiments was performed to determine the feasibility of using the Background Oriented Schlieren, BOS, flow visualization technique to image a simulated, small, rocket engine, plume under altitude test conditions. Testing was performed at the NASA Glenn Research Centers Altitude Combustion Stand, ACS, using nitrogen as the exhaust gas simulant. Due to limited optical access to the facility test capsule, all of the hardware required to conduct the BOS were located inside the vacuum chamber. During the test series 26 runs were performed using two different nozzle configurations with pressures in the test capsule around 0.3 psia. No problems were encountered during the test series resulting from the optical hardware being located in the test capsule and acceptable resolution images were captured. The test campaign demonstrated the ability of using the BOS technique for small, rocket engine, plume flow visualization during altitude testing.

Background Oriented Schlieren↗

DOE OSTI2022

Accelerating Simulation for High-Fidelity PV Inverter System Reliability Assessment with High-Performance Computing

The overall cost of photovoltaic (PV) systems has shown a downward trend during the last decade; however, PV inverter failures account for the highest cost of operation and maintenance. To address this, reliability tools with powerful computation and better accuracy are required for the lifetime prediction and degradation evaluation of PV inverters. This paper proposes an event-driven parallel computing-based simulator. The proposed simulator applies high-performance computing techniques and other accessory optimization techniques-including cluster merging, adaptive model updates, and steady-state identification-to make reliability assessments for PV inverters under given input mission profiles and operating conditions with high efficiency and high fidelity. The main idea of the simulator and its workflow are introduced. Then, a demo PV inverter system simulator is implemented, and the speedup of the total simulations of the switching model reaches 123.03 times.

high-performance computing↗

DOE OSTI2020

Intrinsic thermal interfacial resistance measurement in bonded metal–polymer foils

Heat conduction through bonded metal–polymer interfaces often limits the overall heat transfer in electronic packaging, batteries, and heat recovery systems. To design the thermal circuit in such systems, it is essential to measure the thermal interfacial resistance (TIR) across ~1 µm to 100 µm junctions. Previously reported TIR of metal–polymer junctions utilize ASTM E1530-based two-block systems that measure the TIR by applying pressure across the interface through external heating and cooling blocks. Here, we report a novel modification of the ASTM-E1530 technique that employs integrated heaters and sensors to provide an intrinsic TIR measurement of an adhesively bonded metal–polymer junction. We design the measurement technique using finite element simulations to either passively suppress or actively compensate the lateral heat diffusion through the polymer, which can minimize the systematic error to ≲5%. Through proof-of-concept experiments, we report the TIR of metal–polymer interfaces made from DuPont’s Pyralux double-side copper-clad laminates, commonly used in flexible printed circuit boards. Our TIR measurement errors are <10%. We highlight additional sources of errors due to non-idealities in the experiment and discuss possible ways to overcome them. Our measurement technique is also applicable to interfaces that are electrically insulating such as adhesively joined metal–metal junctions and sputter-coated or welded metal–polymer junctions. Altogether, the technique is capable of measuring TIR ≳10 –5 m 2 KW –1 in bonded metal–polymer foils and can be tailored for in situ measurements in flexible electronics, circuit packaging, and other hybrid metal–polymer systems.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

An Energy Calculator for Simple Commercial Buildings

According to the EIA, simple commercial buildings account for 97% of total commercial building stock. However, most simple commercial buildings for example small- to mid-sized offices, retail, schools and warehouses do not benefit from the data-driven decision-making capabilities of whole-building energy modeling. The high cost of custom modeling limits the use of energy modeling of simple buildings for new construction or retrofit measures. Lack of tools providing helpful information on interactive savings estimates creates difficulties in meeting aggressive decarbonization and energy efficiency goals for simple building designers and utility program managers. This paper reviews a beta phase Simple Building Calculator with the ability to generate relatively accurate and interactive modeling results based on a limited but robust set of inputs. It can evaluate whole-building or single measure savings in new or existing buildings, compare measure package choices, or provide simplified performance modeling for energy codes and utility incentives. The tool combines physical (annual whole building prototype simulation) and statistical modeling techniques to predict annual energy performance. It supports a variety of building characteristics for envelope, HVAC, and lighting with parameters ranging from vintage to max tech configurations, as well as support for single-zone and simple multi-zone HVAC systems. The Simple Building Calculator was designed to provide immediate feedback for otherwise computationally intensive tasks like measure comparison, development of multiple measure package combinations, or verification that measures meet efficiency targets—all with the goal of providing a tool for quick annual energy simulation of simple commercial buildings.

Hart, Reid↗

NASA NTRS1989

Aeroassist flight experiment aerodynamics and aerothermodynamics

The problem is to determine the transitional flow aerodynamics and aerothermodynamics, including the base flow characteristics, of the Aeroassist Flight Experiment (AFE). The justification for the computational fluid dynamic (CFD) Application stems from MSFC's system integration responsibility for the AFE. To insure that the AFE objectives are met, MSFC must understand the limitations and uncertainties of the design data. Perhaps the only method capable of handling the complex physics of the rarefied high energy AFE trajectory is Bird's Direct Simulation Monte Carlo (DSMC) technique. The 3-D code used in this analysis is applicable only to the AFE geometry. It uses the Variable Hard Sphere (VHS) collision model and five specie chemistry model available from Langley Research Center. The code is benchmarked against the AFE flight data and used as an Aeroassisted Space Transfer Vehicle (ASTV) design tool. The code is being used to understand the AFE flow field and verify or modify existing design data. Continued application to lower altitudes is testing the capability of the Numerical Aerodynamic Simulation Facility (NASF) to handle 3-D DSMC and its practicality as an ASTV/AFE design tool.

Brewer, Edwin B.↗

DOE OSTI2024

Pseudospectral particle-in-cell formulation with arbitrary charge and current-density time dependencies for the modeling of relativistic plasmas

This paper introduces a formulation of the particle-in-cell (PIC) method for the modeling of relativistic plasmas, that leverages the ability of the pseudospectral analytical time-domain solver (PSATD) to handle arbitrary time dependencies of the charge and current densities during one PIC cycle (applied to second-order polynomial dependencies here). Here, the formulation is applied to a modified set of Maxwell's equations that was proposed earlier in the context of divergence cleaning, and to recently proposed extensions of the PSATD-PIC algorithm. Detailed analysis and testings revealed that, under some condition, the formulation can expand the range of numerical parameters under which PIC simulations are stable and accurate when modeling relativistic plasmas such as, e.g., plasma-based particle accelerators.

43 PARTICLE ACCELERATORS↗

NASA NTRS1991

A simulation study of turbofan engine deterioration estimation using Kalman filtering techniques

Deterioration of engine components may cause off-normal engine operation. The result is an unecessary loss of performance, because the fixed schedules are designed to accommodate a wide range of engine health. These fixed control schedules may not be optimal for a deteriorated engine. This problem may be solved by including a measure of deterioration in determining the control variables. These engine deterioration parameters usually cannot be measured directly but can be estimated. A Kalman filter design is presented for estimating two performance parameters that account for engine deterioration: high and low pressure turbine delta efficiencies. The delta efficiency parameters model variations of the high and low pressure turbine efficiencies from nominal values. The filter has a design condition of Mach 0.90, 30,000 ft altitude, and 47 deg power level angle (PLA). It was evaluated using a nonlinear simulation of the F100 engine model derivative (EMD) engine, at the design Mach number and altitude over a PLA range of 43 to 55 deg. It was found that known high pressure turbine delta efficiencies of -2.5 percent and low pressure turbine delta efficiencies of -1.0 percent can be estimated with an accuracy of + or - 0.25 percent efficiency with a Kalman filter. If both the high and low pressure turbine are deteriorated, the delta efficiencies of -2.5 percent to both turbines can be estimated with the same accuracy.

Lambert, Heather H.↗