Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Periodic systems”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 775 records · Page 43

Fuel Cell Stack Model for Real-Time Simulation of Grid-Connected Applications

Fuel cell stacks coupled with electrolyzers and hydrogen storage sites can be a promising category of distributed energy resources for both grid-connected and stand-alone power systems. However, because of high costs, at-scale hardware testing of fuel cell stacks for grid-connected applications is not economically viable at present. A model-based system that can accurately captures the steady-state and dynamic response of fuel cell stacks over long time periods (hours), is needed. This paper demonstrate a real-time electromagnetic transient model of a megawatt-scale, grid-connected proton exchange membrane fuel cell stack, coupled with a mass-based hydrogen storage system. This model can emulate the electrical steady-state and dynamic response of grid-connected fuel cell stacks. We validate the model using the response of commercial hardware fuel cell stacks and analytical models in the literature - using a digital real-time simulator (RSCAD). The proposed real-time model is then used to simulate cases spanning different time horizons and to design controller-hardware-in-the-loop experiments to evaluate controllers for hydrogen stations.

activation potential↗

Exact quantization and analytic continuation

In this paper we give a streamlined derivation of the exact quantization condition (EQC) on the quantum periods of the Schrödinger problem in one dimension with a general polynomial potential, based on Wronskian relations. We further generalize the EQC to potentials with a regular singularity, describing spherical symmetric quantum mechanical systems in a given angular momentum sector. We show that the thermodynamic Bethe ansatz (TBA) equations that govern the quantum periods undergo nontrivial monodromies as the angular momentum is analytically continued between integer values in the complex plane. The TBA equations together with the EQC are checked numerically against Hamiltonian truncation at real angular momenta and couplings, and are used to explore the analytic continuation of the spectrum on the complex angular momentum plane in examples.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Diversion Path Analysis: A Proposed Methodology to Develop an MC&A Approach for Liquid-Fueled Molten Salt Reactors

Nuclear material control and accounting (MC&A) is a critical element of both the US Nuclear Regulatory Commission (NRC) and US Department of Energy (DOE)’s domestic safeguards and security requirements. NRC licensees are required, under Title 10 of the Code of Federal Regulations (10 CFR) Part 74 to establish and maintain an MC&A program that captures and records the quantities and locations of special nuclear material (SNM) at the facility. Along with physical protection, MC&A is a key element of domestic nuclear material safeguards that enables the NRC to ensure that SNM is controlled and accounted for. SNM, per 10 CFR Part 74, refers to plutonium, 233 U, and uranium enriched in the isotope 233 U or 235 U, but does not include source material. Periodic physical inventories, coupled with material balance evaluations, are effective and demonstrated tools to account for and detect theft or diversion of SNM in facilities containing SNM in bulk material form (i.e., not in discrete, countable items). Historically in the United States, these types of facilities have included fuel fabrication, conversion, and enrichment facilities. In comparison, reactors have relied on item counting of assemblies and control of SNM while in containment (e.g., a sealed reactor pressure vessel) because, to date, reactor fuel has been in item form. In liquid-fueled molten salt reactors (MSRs), unlike traditional light water reactors (LWRs) or bulk facilities, bulk SNM quantities can change significantly during operation as a result of depletion and transmutation. This introduces challenges to the use of traditional periodic physical inventories and material balance evaluations to detect theft or diversion of SNM in reactors that use SNM in bulk material form. Liquid-fueled (i.e., salt-fueled) MSR facilities are MSRs that use SNM within a salt eutectic as the fuel. The SNM is in a bulk material form any time it is outside of fresh or spent fuel storage containers. Some examples of when SNM will be in bulk form in the facility are during addition of fuel to the reactor system, while fuel is circulating in operation, and while fuel is in a drain tank. Periodic physical inventories and material balance evaluations can likely be effectively applied to many portions of an MSR facility, including all areas where depletion and transmutation are not significantly changing the quantities of SNM within the control area. Within an MSR facility, this would include fresh fuel receipt and loading, waste streams that may contain SNM, irradiated fuel storage outside of the reactor core, and any irradiated fuel processing that may happen after SNM has been removed from the reactor. All of these process steps could rely on measurements of SNM quantities compared with documented inventories. Any discrepancies from predicted (i.e., book) inventories and measured inventories could be quantified as inventory differences, consistent with traditional MC&A guidance from the NRC (e.g., in NUREG-1065 Revision 2, NUREG-2159 Revision 1, and RG 5.29 Revision 2). Within the reactor system, additions and removals to the book inventory include depletion of the SNM (e.g., fission of 235 U), which complicates the use of physical inventories. SNM control, however, can also likely be effectively applied to detect theft of SNM throughout a liquid-fueled MSR facility. To complement these approaches, prior technical reports have identified that a diversion path analysis may be a useful, risk-informed, and performance-based tool to determine suitable elements of an MC&A approach for the reactor system within a liquid-fueled MSR facility.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

1MV Pulse Generator Experiment System [Slides]

The Febetron Pulse Generator (FPG) is an experimental assembly used to store electrical energy for a period of time and then release that energy over a short duration pulse to achieve high instantaneous power outputs. The FPG is an ideal device to be used for a variety high energy physics experiments: Flashover Insulator Breakdown Studies, UHV Electrical Breakdown Testing, Flash Radiography, and EMP Studies.

42 ENGINEERING↗

Signal Temporal Logic Control for Residential HVAC Systems to Accommodate High Solar PV Penetration

This paper proposes a new signal temporal logic (STL) control for ON/OFF residential buildings' Heating Ventilation and Air Conditioning (HVAC) systems. STL is used to control indoor temperatures while consuming most of the generated solar photovoltaic (PV) power locally to minimize its impact on the grid and reduce the need for large energy storage devices. In contrast to most, if not all, control mechanisms such as the traditional model predictive control (MPC), STL control allows for including temporal constraints in the control formulation to further relax indoor temperatures' constraints and allow them to exceed the comfort band limits for a prespecified (short) period of time. This relaxation allows to consume an additional PV power by the HVAC systems, which prevents such an unwanted intermittent power from affecting the grid. We formulate the MPC-based STL control mechanism to implement the objective. Simulation results show that the PV tracking performance has been improved while employing the proposed STL controller.

Wu, Tumin↗

Modeling and Simulation of Inrush Currents in Harmonic Domain

Modeling and simulation capabilities are critical to the stability analysis and evaluation of power distribution systems, with respect to the emphasis on resiliency, microgrids, and distributed energy resources. In this paper, a computational method in the harmonic domain is proposed for the periodic steady-state analysis of the nonlinear inrush current phenomenon. The efficient inrush calculation facilitates the predictions of current amplitudes for the power system operation and control. To demonstrate the accuracy and efficiency, simulation results in the harmonic domain are compared with results from PSCAD in an electromagnetic timescale, as well as the authors’ previous works in the frequency-domain. Impacts of the settings of both offset flux and interested harmonic order are discussed. In addition, within the proposed harmonic-domain method, a general approach that utilizes the discrete Fourier transform to obtain the response of a nonlinear device from a stimulus represented in the frequency-domain is utilized. This method can also be extended to perform the transient analysis in future, using trapezoidal rule for the integration.

Xie, Jing↗

Variable Renewable Energy Participation in U.S. Ancillary Services Markets: Economic Evaluation and Key Issues

Variable renewable energy (VRE) is not yet meaningfully participating in U.S. ancillary services (AS) markets. VRE participation in AS markets could provide a new source of revenues for VRE resource owners to offset declining energy and capacity values and a new tool for power system operators to address emerging system constraints. This paper uses a price-taker dispatch model and historical prices to estimate the economic value of standalone and hybrid (battery-paired) VRE participation in AS markets, from resource owner and electricity system perspectives, in each of the seven U.S. independent system operator and regional transmission organization (ISO/RTO) markets. Across ISO/RTO markets, average (2015-2019) simulated incremental revenues from regulation market participation were $\$$0.0-2.9/MWh (+0-15% of revenue without participation) for standalone VRE owners and $\$$1-33/MWh (+1-69%) for hybrid VRE owners. However, ISO/RTO reserve markets are relatively thin and have the potential to become saturated by energy storage projects that are currently in ISO/RTO interconnection queues. In most markets, standalone and hybrid VRE were able to provide regulation reserves during periods with high regulation prices, suggesting that VRE participation in AS markets could have high system value. The analysis highlights the value of separate upward and downward regulation products and suggests that ISOs/RTOs might consider initially focusing on enabling hybrid VRE provision of AS.

14 SOLAR ENERGY↗

DMTN-221: Periodicity Analysis in Alert Production

The baselined timeseries features to be computed in Alert Production include a Lomb-Scargle periodogram ran on two classes of variable systems: RR Lyrae and Eclipsing Binaries. Based on a simulated LSST-like cadence light curves taken from the Extended LSST Astronomical Time-series Classification Challenge (ELAsTiCC) we perform an end-to-end test to characterize the periodicity recovery on the Alert Production multi-band light curves. In both variable classes, we found that a single-band Lomb-Scargle implementation yields to a low fraction of recovered periods, with a significant preference on the simple periodic phenomena such as RR Lyrae. We also investigated the results from a multi-band Lomb-Scargle and found an increased fraction of recovered periodicities above 15% for the eclipsing binaries, and over 80$\%$ for the RR Lyrae stars. Our findings suggest that a multi-band Lomb-Scargle should be implemented for searching periodic phenomena through AP. We also asses the computational and scientific performance of several configurations on simulated alert data and find that our current configuration scales linearly with the number of detections while assuming an heuristic frequency grid.

79 ASTRONOMY AND ASTROPHYSICS↗

A detailed study of the barium central star of the planetary nebula Abell 70

ABSTRACT We present a detailed study of the barium star at the heart of the planetary nebula Abell 70. Time-series photometry obtained over a period of more than 10 yr demonstrates that the barium-contaminated companion is a rapid rotator with temporal variability due to spots. The amplitude and phasing of the photometric variability change abruptly; however, there is no evidence for a change in the rotation period (P = 2.06 d) over the course of the observations. The co-addition of 17 high-resolution spectra obtained with Ultraviolet and Visual Échelle Spectrograph mounted on the Very Large Telescope allows us to measure the physical and chemical properties of the companion, confirming it to be a chromospherically active, late G-type sub-giant with more than +1 dex of barium enhancement. We find no evidence of radial velocity variability in the spectra, obtained over the course of approximately 130 d with a single additional point some 8 yr later, with the radial velocities of all epochs approximately −10 km s −1 from the previously measured systemic velocity of the nebula. This is perhaps indicative that the binary has a relatively long period (P ≳ 2 yr) and high eccentricity (e ≳ 0.3), and that all the observations were taken around radial velocity minimum. However, unless the binary orbital plane is not aligned with the waist of the nebula or the systemic velocity of the binary is not equal to the literature value for the nebula, this would imply an unfeasibly large mass for the nebular progenitor.

Jones, David (ORCID:0000000339475946)↗

Persistent ocean anomalies as a response to Northern Hemisphere heating induced by biomass burning variability

Biomass burning aerosol (BBA) emissions in the Coupled Model Intercomparison Project Phase 6 (CMIP6) historical forcing fields have enhanced temporal variability during the years 1997–2014 compared to earlier periods. Recent studies document that the corresponding inhomogeneous shortwave forcing over this period can cause changes in clouds, permafrost, and soil moisture, which contribute to a net terrestrial Northern Hemisphere warming relative to earlier periods. Here, we investigate the ocean response to the hemispherically asymmetric warming, using a 100-member ensemble of the Community Earth System Model version 2 Large Ensemble forced by two different BBA emissions (CMIP6 default and temporally smoothed over 1990–2020). Differences between the two subensemble means show that ocean temperature anomalies occur during periods of high BBA variability and subsequently persist over multiple decades. In the North Atlantic, surface warming is efficiently compensated for by decreased northward oceanic heat transport due to a slowdown of the Atlantic Meridional Overturning Circulation. In the North Pacific, surface warming is compensated for by an anomalous cross-equatorial cell (CEC) that reduces northward oceanic heat transport. The heat that converges in the South Pacific through the anomalous CEC is shunted into the subsurface and contributes to formation of long-lasting ocean temperature anomalies. The anomalous CEC is maintained through latitude-dependent contributions from narrow western boundary currents and basin-wide near-surface Ekman transport. Furthermore, these results indicate that interannual variability in forcing fields may significantly change the background climate state over long timescales, presenting a potential uncertainty in CMIP6-class climate projections forced without interannual variability.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of Material Balance Approaches for Hanford Direct-Feed Low Activity Waste Processing - 20022

The Hanford Site has accumulated millions of gallons of tank waste from reprocessing spent fuel to recover plutonium, uranium, cesium, and strontium. The supernatant from the accumulated tank waste will be treated using a Direct Feed Low-Activity Waste approach. The supernatant will be treated to remove solids and cesium in the Tank-Side Cesium Removal process in the Hanford tank farm, then vitrified in a semi-batch process in the Hanford Waste Treatment and Immobilization Plant (WTP). Currently, each batch of feed is sampled at three locations prior to being fed to the melter: the feed qualification tank in the Hanford tank farm as well as the concentrate receipt vessel (CRV) and melter feed preparation vessel (MFPV) in the WTP. The feed qualification sample is taken from a large batch of accumulated feed, only two to three samples are expected each year. Approximately 275 samples from the CRVs and 1100 samples from the MFPV are expected each year. An evaluation was performed to determine if a material balance based on the feed qualification sample could replace most of the sampling in the CRVs and MFPVs. The evaluation consisted of three elements: (1) determination of the practicality of using a material balance to estimate the stream composition of the CRV and MFPV contents, (2) evaluation of whether the material balance could be automated using the existing process control system, and (3) determination of the uncertainty in glass composition using the material balance approach. It is assumed that periodic sampling at the CRV and MFPV would be performed periodically to re-baseline the material balance, evaluations are in progress to determine the frequency of this periodic sampling. Process sample locations downstream of the melter were reviewed as well, but the partitioning of semi-volatile species in the melter was determined to preclude extending the material balance approach past the melter. It was determined that replacement of the CRV sample location was feasible and did not increase process uncertainty or significantly impact waste loading. Replacement of the MFPV sample was also determined to be feasible, but that measurement of the glass former chemical addition may be needed prior to addition of these chemicals to the MFPV. This measurement could be performed by an in situ laser-induced breakdown spectroscopy (LIBS) system. Limited tests were performed to evaluate LIBS for direct measurements of the low-activity waste melter feed. The use of a material balance would eliminate over 1200 samples each year if only 10% of the CRV and MFPV batches are sampled and could likely allow the WTP laboratory to operate on days only versus 24/7 operation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Investigating the Impact of Power-Take-Off System Parameters and Control Law on a Rotational Wave Energy Converter’s Peak-to-Average Power Ratio Reduction

Due to the irregular nature of real waves, the power captured in a wave energy converter (WEC) system is highly variable. This is an important barrier to the effective use of WECs. To address this challenge, this study focuses on a rotational WEC power-take-off system in which high-speed and high-efficiency generators along with a torque/power smoothing inertia element can be effectively utilized. In the first phase of this study, the U.S. Department of Energy’s reference model 3 (WEC-Sim RM3; two-body point absorber), along with a slider-crank WEC, were integrated for linear to rotational conversion. Relative motion between the float and spar in RM3 was the driving force for this slider-crank WEC, which is connected to a motor/generator set through a gearbox. RM3 geometry was scaled down by 25 times to work within the limits of the physical motor/generator set used in the experimentation. Once the integration in a hardware-in-the-loop simulation environment was successfully completed, data on the peak-to-average power ratio was collected for various wave conditions including regular and irregular waves. The control algorithm designed to keep the system in resonance with waves was able to maintain relatively high speed depending on the specific gear ratio and wave period. Initial results with hardware-in-the-loop simulations reveal that gear ratio and crank radius have a strong impact on the peak-to-average power ratio. In addition, it was found that output power from the generator was maximized at a larger gear ratio, as the crank radius was increased.

50 EE - Wind and Water Power Program - Water (EE-4↗

Efficient Four-Component Dirac–Coulomb–Gaunt Hartree–Fock in the Pauli Spinor Representation

Four-component Dirac Hartree--Fock is an accurate mean-field method for treating molecular systems where relativistic effects are important. However, the computational cost and complexity of the two-electron interaction makes this method less common, even though we can consider the Dirac Hartree--Fock Hamiltonian the ``ground truth" of electronic structure, barring explicit quantum-electrodynamical effects. Being able to calculate these effects is then vital to the design of lower scaling methods for accurate predictions in computational spectroscopy and properties of heavy element complexes that must include relativistic effects for even qualitative accuracy. In this work, we present a Pauli quaternion formalism of maximal component- and spin-separation for computing the Dirac-Coulomb-Gaunt Hartree-Fock ground state, with a minimal floating-point-operation count algorithm. Furthermore, this approach also allows one to explicitly separate different spin physics from the two-body interactions, such as spin-free, spin-orbit, and the spin-spin contributions. Additionally, we use this formalism to examine relativistic trends in the periodic table, and analyze the basis set dependence of atomic gold and gold dimer systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating the effects of heatwave events on hydrological processes in the contiguous United States (2003–2022)

Extreme heat and drought conditions are affecting water availability in many regions worldwide, leading to negative impacts on human societies, agriculture, and ecosystems. However, current research lacks comprehensive spatiotemporal analysis examining the interplay between multiple hydrological factors and heatwave events, especially in the context of climate change. This research broadly pertains to understanding the dynamics of hydrological factors and their potential responses to heatwave during warm seasons across the contiguous United States for the period from 2003 to 2022. Utilizing data from the Global Land Data Assimilation System (GLDAS), we analyzed surface runoff, evapotranspiration (ET), precipitation, Groundwater Storage (GWS), Root Zone Soil Moisture (RZSM), and Total Water Storage (TWS) to discern annual patterns and the impacts of heatwave. Further, the spatial patterns of heatwave highlighted a higher occurrence in the western, central, and northeastern U.S., with longer average durations in the western and south-central regions. These events are predominantly dry, characterized by low Relative Humidity (RH), except in the southeastern U.S., where heatwave coincide with high RH levels. Post-heatwave analysis indicated a reduction in GWS, TWS, RZSM, and ET, alongside an increase in surface runoff, RH, and precipitation. An in-depth examination of rainfall and temperature dynamics during heatwave revealed weak correlations between rainfall and temperature, as well as between rainfall and heatwave duration, highlighting the complex nature of these interactions. The study also found an enhanced probability of rainfall following heatwave, particularly in the eastern regions, drawing attention to the potential for increased flood risks post-heatwave. Our findings contribute to the growing body of knowledge on the impacts of heatwave on hydrological factors, providing valuable insights for climate change adaptation and water resource management strategies.

54 ENVIRONMENTAL SCIENCES↗

Rewetting of soil: Revisiting the origin of soil CO 2 emissions

Rewetting dry soils is associated with a burst of microbial activity and mineralization, which manifests itself as a pulse in soil CO 2 emissions, long-known as the Birch effect. In arid and semi-arid systems, soil CO 2 losses upon rewetting at the end of extended dry periods can contribute a significant fraction to the overall carbon (C) budget. Microbial biomass is one of the sources of mineralized C, as was demonstrated over 30 years ago (Kieft et al., 1987). The present paper offers a perspective on how the field has progressed since the 1987 paper was published in Soil Biology & Biochemistry, what it means in terms of current concerns about global climate change, and the needs and potential emphases of future research. Many studies since 1987 have addressed the origin of this CO 2 pulse, finding multiple possible C sources involving both biotic and abiotic processes. We propose that the magnitude of the rewetting event (Δψ) determines the relative contribution from the array of substrates that contribute to the soil CO 2 pulse upon rewetting. The magnitude of the CO 2 pulse is likely related to soil physical characteristics and to the size of the available C pool, which is partly controlled by plants. Further, the relative contributions of the mechanisms generating soil CO 2 pulses upon rewetting are likely to be modified by climate change. To understand and predict the magnitude of soil CO 2 pulses upon rewetting, we advocate continued cross-disciplinary research involving soil microbial ecology, soil physics, soil chemistry, as well as increased integration and recognition of the importance of plant-soil interactions in controlling the soil C pools contributing to soil CO 2 pulses.

54 ENVIRONMENTAL SCIENCES↗

Hydration structure and energetics of iron-exchanged montmorillonite

The interaction between iron released from corroded steel canisters and bentonite is a key process influencing the long-term performance of nuclear waste repositories. In particular, the migration of Fe²⁺ into montmorillonite (Mnt) interlayers may alter its hydration, swelling, and ion-transport properties. In the present study, molecular dynamics simulations were performed to investigate the hydration behavior, structural response, and transport properties of Fe-exchanged montmorillonite (Fe-Mnt) under varying hydration states. The simulations focus on short- to intermediate-time-scale Fe 2+ and Fe 3+ interlayer exchange and hydration effects, and do not consider long-term structural substitution, Fe-bearing clay phase stabilization, or secondary iron mineral precipitation. Systems containing Na + -, Fe 2+ -, and Fe 3+ -Mnt were examined using both periodic and edge-exposed configurations to evaluate interlayer structure, ion exchange, and free energy of Fe intercalation. The results show that Fe ions influence the interlayer spacing primarily at low water contents (<1 bilayer), where Fe-Mnt exhibits a d-spacing 1–2 Å larger than Na-Mnt due to stronger hydration. The calculated hydration energies follow the order Fe 2+ $<$Fe 3+ $<$Na + . Both water and ion diffusion coefficients decrease upon Fe ion intercalation, with Fe 2+ ions diffusing an order of magnitude more slowly than those of Na + . Free energy profiles further confirm that Fe 2+ and Fe 3+ ions are thermodynamically favored in the interlayer, with Fe 3+ being the most stable. In conclusion, these findings provide molecular-scale insights into the mechanisms of Fe–Na exchange and their implications for bentonite alteration in repository environments.

clay↗

Binding and excitations in Si x H y molecular systems using quantum Monte Carlo

In this work, we present high-accuracy correlated calculations of small SixHy molecular systems in both the ground and excited states. We employ quantum Monte Carlo (QMC) together with a variety of many-body wave function approaches based on basis set expansions. The calculations are carried out in a valence-only framework using recently derived correlation consistent effective core potentials. Our primary goal is to understand the fixed-node diffusion QMC errors in both the ground and excited states with single-reference trial wave functions. Using a combination of methods, we demonstrate the very high accuracy of the QMC atomization energies being within ≈0.07 eV or better when compared with essentially exact results. By employing proper choices for trial wave functions, we have found that the fixed-node QMC biases for total energies are remarkably uniform ranging between 1% and 3.5% with absolute values at most ≈0.2 eV across the systems and several types of excitations such as singlets and triplets as well as low-lying and Rydberg-like states. Our results further corroborate that Si systems, and presumably also related main group IV and V elements of the periodic table (Ge, Sn, etc), exhibit some of the lowest fixed-node biases found in valence-only electronic structure QMC calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efficient evaluation of the Breit operator in the Pauli spinor basis

The frequency-independent Coulomb–Breit operator gives rise to the most accurate treatment of two-electron interaction in the non-quantum-electrodynamics regime. The Breit interaction in the Coulomb gauge consists of magnetic and gauge contributions. The high computational cost of the gauge term limits the application of the Breit interaction in relativistic molecular calculations. In this work, we apply the Pauli component integral–density matrix contraction scheme for gauge interaction with a maximum spin- and component separation scheme. We also present two different computational algorithms for evaluating gauge integrals. One is the generalized Obara–Saika algorithm, where the Laplace transformation is used to transform the gauge operator into Gaussian functions and the Obara–Saika recursion is used for reducing the angular momentum. The other algorithm is the second derivative of Coulomb interaction evaluated with Rys-quadrature. This work improves the efficiency of performing Dirac–Hartree–Fock with the variational treatment of Breit interaction for molecular systems. In conclusion, we use this formalism to examine relativistic trends in the Periodic Table and analyze the relativistic two-electron interaction contributions in heavy-element complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗