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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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At least 397 records · Page 22

The physical origin of dark energy constraints from rubin observatory and CMB-S4 lensing tomography

ABSTRACT We seek to clarify the origin of constraints on the dark energy equation of state parameter from CMB lensing tomography, that is the combination of galaxy clustering and the cross-correlation of galaxies with CMB lensing in a number of redshift bins. We focus on the analytic understanding of the origin of the constraints. Dark energy information in these data arises from the influence of three primary relationships: distance as a function of redshift (geometry), the amplitude of the power spectrum as a function of redshift (growth), and the power spectrum as a function of wavenumber (shape). We find that the effects from geometry and growth play a significant role and partially cancel each other out, while the shape effect is unimportant. We also show that Dark Energy Task Force figure of merit forecasts from the combination of LSST galaxies and CMB-S4 lensing are comparable to the forecasts from cosmic shear in the absence of the CMB lensing map, thus providing an important independent check. Compared to the forecasts with the LSST galaxies alone, combining CMB lensing and LSST clustering information increases the FoM by roughly a factor of 3–4 in the optimistic scenario where systematics are fully under control. We caution that achieving these forecasts will likely require a full analysis of higher-order biasing, photometric redshift uncertainties, and stringent control of other systematic limitations, which are outside the scope of this work, whose primary purpose is to elucidate the physical origin of the constraints.

79 ASTRONOMY AND ASTROPHYSICS↗

Kinetic Isotope Effects: Interpretation and Prediction Using Degrees of Rate Control

Kinetic isotope effects (KIEs) have been used for decades in catalysis research as a tool for clarifying reaction mechanisms. Significant primary kinetic isotope effects have usually been interpreted as being a result of isotope substitution at a site of bond breaking (or forming) in the rate-determining step in the reaction mechanism. However, quantitative analysis of the magnitude of the KIE in complex multistep reaction mechanisms is seldom reported. We prove here that the logarithm of the rate ratio for two isotopes is the weighted average over all species in the mechanism of their standard-state free energy difference between the two isotopes, divided by RT. The weighting factor is the degree of rate control (DRC) for that species (e.g., transition state, intermediate, reactant) when the rate is measured separately for each isotope. It is instead the degree of selectivity ratio control (DSRC) when the KIE is measured as the product selectivity in a parallel competition between two isotopes within the same reactant molecule. Since only a few species have non-zero DRCs (or DSRCs) for most reactions, only these few contribute to this weighted average and the KIE. We show that this provides a simple way to interpret and quantitatively predict kinetic isotope effects that is powerful in the insights it provides, allowing one to evaluate directly which species contribute most to the KIE. By applying it to H/D KIEs in several example mechanisms, we further show that the traditional way of interpreting KIEs that focuses only on the rate-determining step can easily lead to misunderstanding of KIE and the reaction mechanism. Finally, this highlights the importance to consider the effect of isotope substitution on the energies of all species with large DRCs (i.e, those whose energies are kinetically relevant). This method also offers opportunities for quantitative validation of mechanism-based microkinetic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Model predictive control of heating, ventilation, and air conditioning (HVAC) systems: A state-of-the-art review

Due to the fast advancement of communication and information technology, intelligent buildings have garnered great interest. These buildings can forecast weather, ambient temperature, and sun irradiation and can modify heating, ventilation, and air conditioning (HVAC) operations appropriately, based on current and previous data. This change is intended to reduce HVAC system energy usage while maintaining an appropriate degree of thermal comfort and indoor air quality. Since its inception, model predictive control (MPC) has been one of the prospective solutions for HVAC management systems to reduce both costs and energy usage. Additionally, MPC is becoming increasingly practical as the processing capacity of building automation systems increases and a large quantity of monitored building data becomes available. MPC also provides the potential to improve the energy efficiency of HVAC systems via its capacity to consider limitations, to predict disruptions, and to factor in multiple competing goals such as interior thermal comfort and building energy consumption. Although substantial research has been conducted on MPC in building HVAC systems, there is a shortage of critical reviews and a lack of a comprehensive framework that formulates and defines the applications. Here, this article provides a comprehensive state-of-the-art overview of MPC in HVAC systems. Detailed discussions of modeling approaches and optimization algorithms are included. Numerous design aspects such as prediction horizon, occupancy behavior, building type, and cost function, that impact MPC performance are discussed in detail. The technical characteristics, advantages, and disadvantages of various types of modeling software are discussed. The primary objective of this work is to highlight critical design characteristics for the MPC control scheme and to give improved suggestions for future research. Moreover, numerous prospective scenarios have been suggested that might provide future research direction.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Pressurizer dynamic model and emulated programmable logic controllers for nuclear power plants cybersecurity investigations

This work demonstrates the functionality of the pressurizer using a fast-running three regions, non-equilibrium model and control programs of emulated PLCs. The state variables from an integrated model of primary loop in a representative PWR plant are communicated to the pressurizer’s emulated PLCs using a synchronized data transfer function. In turn, the PLCs communicate back instructions to the pressurizer model to adjust the pressure and water level to remain within preprogramed setpoints. Pressurizer model simultaneously solves the coupled mass and energy conservation equations in the saturated vapor and saturated and subcooled liquid regions using fixed step solver. Results demonstrate the response of the pressurizer model linked to an emulated pressure and water level PLCs in a simulated transient involving surge-in and surge-out events. The 50 ms response delay time for the emulated PLC insignificantly affects operation and predictions of the pressurizer model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The impacts of building characteristics, social psychological and cultural factors on indoor environment quality productivity belief

Indoor environmental quality (IEQ) plays a key role in determining occupants' productivity at work; however, analyses of the interconnected factors among building physical, attitudinal, social and demographic components in one study are lacking. To fill this research gap, this study investigates these interconnected factors' influence on occupants’ IEQ-productivity belief, defined as a personal, subjective evaluation of the linkage between the impacts of five IEQ aspects (the quality of indoor temperature, air, natural and electric lighting, and acoustics) and productivity. A cross-sectional survey data was collected in university offices from six countries (Brazil, Italy, Poland, Switzerland, Taiwan and the U.S.). Results of multiple linear regression models indicate that IEQ satisfaction is the strongest positive predictor of the IEQ-productivity belief and this relationship is stronger in private offices. Country of residence is the second primary predictor. Several attitudinal-behavioral factors, including thermal comfort, perceived ease of controlling indoor environmental features, and attitudes toward sharing controls are all positively associated with IEQ-productivity belief. Interestingly, the level of control accessibility to light switches has the strongest impact as opposed to other controls. On the other hand, group norms and conformity intention are not significant predictors. Regarding demographics, men are more likely than women to perceive the IEQs to have positive impacts on their productivity, without considering other variables in the regression model; however, women are more likely than men to consider all IEQs as having positive impacts on productivity, after considering other variables. Furthermore, our findings provide suggestions for prioritizing wellness in the workplace since the early design stage.

99 GENERAL AND MISCELLANEOUS↗

Magnetically Tunable Polariton Cavities in van der Waals Heterostructures

Nanophotonic cavities are the foundation for a broad spectrum of applications, including quantum sensing, on-chip communication, and cavity quantum electrodynamics. In van der Waals (vdW) materials, these cavities can harness polaritons, which are quasiparticles emerging from photon interactions with excitons, plasmons, or phonons that are confined in microscopic sample flakes. Hybrid phonon–plasmon cavities leverage the long lifetimes of phonons and good tunability of plasmons, but their reconfigurability remains fundamentally limited. Here, in this work, we introduce a magnetic-field-tuning mechanism for polaritonic cavities in a vdW heterostructure. Specifically, we demonstrate that the primary Landau transition in magnetized charge-neutral graphene can be harvested for controlling polaritonic cavity modes in a graphene-based phononic heterostructure. Additionally, we predict a magnetic-field-induced topological transition in the polariton isofrequency contour, causing a nontrivial cavity mode profile redistribution. Our study underscores the versatility of Landau-based nanophotonic cavities, offering new paradigms for the design and manipulation of light–matter interactions at the nanoscale.

36 MATERIALS SCIENCE↗

Enhanced collisionless laser absorption in strongly magnetized plasmas

We report that strongly magnetizing a plasma adds a range of waves that do not exist in unmagnetized plasmas and enlarges the laser-plasma interaction (LPI) landscape. In this paper, we use particle-in-cell simulations to investigate strongly magnetized LPI in one dimension under conditions relevant for magneto-inertial fusion experiments, focusing on a regime where the electron-cyclotron frequency is greater than the plasma frequency and the magnetic field is at an oblique angle with respect to the wave vectors. We show that when electron-cyclotron-like hybrid wave frequency is about half the laser frequency, the laser light resonantly decays to magnetized plasma waves via primary and secondary instabilities with large growth rates. These distinct magnetic-field-controlled instabilities, which we collectively call two-magnon decays, are analogous to two-plasmon decays in unmagnetized plasmas. Since additional phase mixing mechanisms are introduced by the oblique magnetic field, collisionless damping of large-amplitude magnetized waves substantially broadens the electron distribution function, especially along the direction of the magnetic field. During this process, energy is transferred efficiently from the laser to plasma waves and then to electrons, leading to a large overall absorptivity when strong resonances are present. The enhanced laser energy absorption may explain hotter-than-expected temperatures observed in magnetized laser implosion experiments and may also be exploited to develop more efficient laser-driven x-ray sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Residual Stress Modeling and Advanced Diffraction Measurements of 347H Steel Weldments

The 347H stainless steel is a primary high-temperature material for many energy and power generation industries. Stress relief cracking (SRC) has been a particular concern in welding of this material. The residual stress induced by welding and its evolution during post-welding heat treatment (PWHT) and subsequent operating and service conditions is one of the primary factors contributing to SRC. The lifetime of welded structure components is also controlled by the precipitation kinetics that accompanies PWHT, stress relaxation process, and long-term aging and complex synergistic factors. Various theories have been proposed in the past to explain SRC. However, a widely accepted approach to predicting the entire damage evolution and the resulting performance reduction is still lacking. This study is to demonstrate a reliable solution for two critical issues that affect the predictions. First, the residual stress distribution obtained from both simulation and neutron diffraction is compared, which increases the accuracy of mechanical analysis simulation model and therefore builds a solid basis for the lifetime prediction model. Second, the generation, evolution, and annihilation of precipitates are monitored by the synchrotron diffraction experiment. Preliminary results demonstrate the critical importance of precipitation kinetics on the residual stress distribution/redistribution during heat treatments.

Yang, Yi↗

Increasing melt efficiency and secondary alloy usage in aluminum die casting

In this project, the focus was to develop thermodynamic and kinetic models for the aluminum melting process involving secondary alloys, refractory materials and flux materials. The major research outcome of this study is 1) the refractory composition of CaO (8-12%), microsilica (1-3%), BaSO 4 and/or BaO (no more than 5%), B 2 O 3 (5%) and Al 2 O 3 (balance) effectively reduced the reactions with liquid Al and alloying/impurity elements and heat transfer during melting and holding process. 2) a flux composition of NaCl-KCl-(1-10%)KAlF 4 exhibited an effective covering effect and prevented the dross formation during melting of Al process. 3) A high Fe (0.44%) content recycled Al alloy with compatible mechanical properties was developed based on the impurities control methods, which provides great potential to replace the commercial structural alloys from primary Al and increase the usage of secondary alloys.

36 MATERIALS SCIENCE↗

Results and lessons learned from accelerating radio frequency modeling using machine learning [slides]

The “advanced tokamak” reactor concept is a leading candidate for a steady state fusion pilot plant. An advanced tokamak (AT) sustains a majority of the required plasma current with effects resulting from maintenance of the peaked pressure at the device center. This current is augmented by auxiliary current drive sources. These auxiliary actuators may consist of neutral particle beams and/or radio frequency (RF) systems such as lower hybrid current drive (LHCD) and high harmonic fast wave (HHFW) current drive using radio and microwaves from antennas. The primary focus of this work is to develop models of RF current profile control suitable for use in integrated modeling frameworks and for real-time control in experiments. Direct physics models of RF current drive can be computationally intensive. In order to achieve predictive times appropriate for the thousands of calls needed in real-time control of experiments and for use in integrated models, we will apply modern machine learning (ML) techniques to accelerate these models and interpolate their results. To generate the fast and accurate models for use in control level algorithms and integrated modeling we need to replace present models with high dimensional interpolation of their results. We will perform additional simulations across a broader parameter range for EAST and other tokamaks in different physics regimes (Alcator C-Mod, DIII-D, WEST, CFETR, ARC, ITER) and combine them into a larger database for training and testing of the ML models. Further testing of the control level models with experimental current profile data from EAST and C-Mod tokamaks will provide additional confirmation of the control level model before integration in a tokamak control system or integrated modeling suite. ML will be used to optimize the selection of training data consisting of RF current driven at different values of density profile, temperature profile, plasma current, and wavenumber. ML will also be used to facilitate classification of current drive from these input data. The output of this effort will be a validated classifier capable of determining the current drive profiles for HHFW CD and LHCD on a mille-second timescale. This will provide a breakthrough capability enabling real-time control of RF driven current profiles in experiments including ITER ICRF and use integrated modeling frameworks requiring thousands of current profile calculations in discharge simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tracking and Positioning System for Floating Solar (CRADA Abstract)

The project goal is to develop a floating solar photovoltaics (FPV) tracking & position system that: (1) increases annual energy production of FPV projects by >10%, (2) lowers levelized cost of energy (LCOE) for FPV by >10%, and (3) leverages U.S. contract supply chain & manufacturing. The outcome of the project will be a certified tracking product that has undergone extensive field testing and is ready for commercial sales. The primary objectives for each budget period are: • BP1: Define product requirements, develop initial controls architecture and design other sub-components, complete small-scale pilot testing, install a larger-scale pilot, secure sites for commercial pilots, and develop the beta-version of a user portal. • BP2: complete control system and sub-component design, successful demonstration and testing at a commercial pilot, certification & bankability, finalize user portal, and complete various commercialization activities related to supply chain, customer acquisition, and sales. PNNL will provide support during both project phases for prototype development and testing of the controls architecture, software, and hardware components of the tracking and positioning system. PNNL will provide support during both project phases for prototype development and testing of the controls architecture, software, and hardware components of the tracking and positioning system. This effort represents PNNL’s first opportunity to support the floating solar photovoltaics (FPV) industry with capabilities, facilities, and personnel developed to contribute to the marine energy (e.g., wave and tidal energy) sector. This portfolio expansion leverages internal and DOE EERE investments and the growing visibility of PNNL-Sequim’s Marine and Coastal Research Laboratory (MCRL) and our marine research capabilities, in general. The development of effective and low-cost FPV platforms is a potential way to increase the nation’s set of tools for providing emission-free electricity without utilizing valuable terrestrial resources. Successful commercialization of such a project may lead to economic benefits through job creation, supply chain creation, and access to a cheaper source of electricity.

14 SOLAR ENERGY↗

Ultrafast optical switches using quantum wells

Colloidal quantum wells have discrete energy states and electrons in the quantum wells undergo interband and intersubband state transitions. The transmissivity of a colloidal quantum well may be tuned by actively controlling the states of the colloidal quantum wells enabling ultrafast optical switching. A primary excitation source is configured to provide a primary excitation to promote a colloidal quantum well from a ground state to a first excitation state. A secondary excitation source is configured to provide a secondary excitation to the colloidal quantum well to promote the colloidal quantum well from the first excitation state to the second excitation state with the first and second excitation states being subbands in the conduction band of the colloidal quantum well.

Diroll, Benjamin↗

Charge Management for an Inductively Charged On-Demand Battery-Electric Shuttle Service with High Penetration of Renewable Energy

This paper presents a charge management control strategy for an on-demand battery-electric shuttle van operating at the National Renewable Energy Laboratory (NREL) campus and supported by day-time inductive charging at the vehicle's waiting spot. A new control algorithm has been proposed for reducing the demand charge costs incurred from wireless charging of the on-demand shuttle. A custom controller has been developed to monitor the shuttle, wireless charger, renewable energy generation, and various loads at NREL's campus, and regulate charging behavior for demand response. The intermittent renewable generation and sporadic operation of the on-demand shuttle service contribute to a high level of uncertainty in expected campus load profile, which must be carefully managed. The control algorithm predicts energy profile to estimate the mobility needs of the vehicle and maintain uninterrupted service during operation while still minimizing peak demand. The proposed controller has been designed and optimized using a Simulink model for the entire system. Next, it has been implemented and tested in real-time on the NREL campus. Two primary vehicle-use cases, charge sustaining and charge depletion operation, are tested under different load profiles and drive cycles to assess the controller's effectiveness at reducing peak demand and therefore demand charges. The proposed controller showed robust performance under different driving scenarios with high correlation between simulated and experimental data. The results showed that proper demand response can be achieved with an average of 94% reduction of charging loads during peak demand events.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗

Empirical relationships between environmental factors and soil organic carbon produce comparable prediction accuracy as the Machine Learning

Accurate representation of environmental controllers of soil organic carbon (SOC) stocks in Earth System Model (ESM) land models could reduce uncertainties in future carbon-climate feedback projections. Using empirical relationships between environmental factors and SOC stocks to evaluate land models can help modelers understand prediction biases beyond what can be achieved with the observed SOC stocks alone. In this study, we used 31 observed environmental factors, field SOC observations (n = 6,213) from the continental US, and two Machine Learning approaches [Random Forest (RF) and Generalized Additive Modeling (GAM)] to (1) select important environmental predictors of SOC stocks, (2) derive empirical relationships between environmental factors and SOC stocks, and (3) use the derived relationships to predict SOC stocks and compare the prediction accuracy of simpler model developed with the machine learning predictions. Out of the 31 environmental factors we investigated, 12 were identified as important predictors of SOC stocks by the RF approach. In contrast, the GAM approach identified six (of those 12) environmental factors as important controllers of SOC stocks: potential evapotranspiration, normalized difference vegetation index, soil drainage condition, precipitation, elevation, and net primary productivity. The GAM approach showed minimal SOC predictive importance of the remaining six environmental factors identified by the RF approach. Our derived empirical relations produced comparable prediction accuracy as the GAM and RF approach using only a subset of environmental factors. The empirical relationships we derived using the GAM approach can serve as important benchmarks to evaluate environmental control representations of SOC stocks in ESMs, which could reduce uncertainty in predicting future carbon-climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗

Light Regulation of Phytoplankton Growth in San Francisco Bay Studied Using a 3D Sediment Transport Model

In San Francisco Bay (SFB), light availability is largely determined by the concentration of suspended particulate matter (SPM) in the water column. SPM exhibits substantial variation with time, depth, and location. To study how SPM influences light and phytoplankton growth, we coupled a sediment transport model with a hydrodynamic model and a biogeochemical model. The coupled models were used to simulate conditions for the year of 2011 with a focus on northern SFB. For comparison, two simulations were conducted with ecosystem processes driven by SPM concentrations supplied by the sediment transport model and by applying a constant SPM concentration of 20 mg l –1 . The sediment transport model successfully reproduced the general pattern of SPM variation in northern SFB, which improved the chlorophyll-a simulation resulting from the biogeochemical model, with vertically integrated primary productivity varying greatly, from 40 g[C] m –2 year –1 over shoals to 160 g[C] m –2 year –1 in the deep channel. Primary productivity in northern SFB is influenced by euphotic zone depth ( Ze ). Our results show that Ze in shallow water regions (<2 m) is mainly determined by water depth, while Ze in deep water regions is controlled by SPM concentration. As a result, Ze has low (high) values in shallow (deep) water regions. Large (small) differences in primary productivity exist between the two simulations in deep (shallow) water regions. Furthermore, we defined a new parameter F light for “averaged light limitation” in the euphotic zone. The averaged chlorophyll-a concentration in the euphotic zone and F light share a similar distribution such that both have high (low) values in shallow (deep) water regions. Our study demonstrates that light is a critical factor in regulating the phytoplankton growth in northern SFB, and a sediment transport model improves simulation of light availability in the water column.

54 ENVIRONMENTAL SCIENCES↗

Energy Savings With Acceptable Indoor Air Quality Through Improved Airflow Control in Residential Retrofits

The Partnership for Advanced Residential Retrofit (PARR) has been a U.S. Department of Energy (DOE) Building America team since 2009, with a primary focus on upgrading the performance of existing buildings to reduce energy loads. In this project, PARR’s work explored the integration of airflow-focused measures in residential retrofit homes with the goal to maximize energy savings while ensuring acceptable indoor air quality (IAQ) using a systems approach to controlling four contributing air streams: • Building air leakage (natural, uncontrolled infiltration), • Forced-air distribution system static pressure and airflow rate, • Distribution system duct leakage, and • Mechanical ventilation. This project addressed airflows in houses, their combined impact on energy use and IAQ, and the comparative effects of typical insulation and air sealing practices versus integrated system-level retrofits. Additionally, practical considerations for contractors taking either approach were addressed. Finally, the effects of supply ventilation and exhaust ventilation on IAQ were compared in occupied homes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High Yield of B-Side Electron Transfer at 77 K in the Photosynthetic Reaction Center Protein from Rhodobacter sphaeroides

In this work, the primary electron transfer (ET) processes at 295 K and 77 K are compared for the Rhodobacter sphaeroides reaction center (RC) pigment-protein complex from thirteen mutants including a wild-type control. The engineered RCs bear mutations in the L and M polypeptides that largely inhibit ET from the excited state P* of the primary electron donor (P, a bacteriochlorophyll dimer) to the normally photoactive A-side cofactors and enhance ET to the C 2 -symmetry related, and normally photoinactive, B-side cofactors. P* decay is multi-exponential at both temperatures and modeled as arising from subpopulations that differ in contributions of two-step ET (e.g., P* → P + B B – → P + H B – ), one-step superexchange ET (e.g., P* → P + H B – ) and P* → ground state. [H B and B B are monomeric bacteriopheophytin and bacteriochlorophyll, respectively.] The relative abundances of the subpopulations and the inherent rate constants of the P* decay routes vary with temperature. Regardless, ET to produce P + H B – is generally faster at 77 K than at 295 K by about a factor of two. A key finding is that the yield of P + H B – , which ranges from ~5% to ~90% among the mutant RCs, is essentially the same at 77 K as at 295 K in each case. Overall, the results show that ET from P* to the B-side cofactors in these mutants does not require thermal activation and involves combinations of ET mechanisms analogous to those operative on the A side in the native RC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria

In photosynthesis, absorbed light energy transfers through a network of antenna proteins with near-unity quantum efficiency to reach the reaction center, which initiates the downstream biochemical reactions. While the energy transfer dynamics within individual antenna proteins have been extensively studied over the past decades, the dynamics between the proteins are poorly understood due to the heterogeneous organization of the network. Previously reported timescales averaged over such heterogeneity, obscuring individual interprotein energy transfer steps. Here, we isolated and interrogated interprotein energy transfer by embedding two variants of the primary antenna protein from purple bacteria, light-harvesting complex 2 (LH2), together into a near-native membrane disc, known as a nanodisc. We integrated ultrafast transient absorption spectroscopy, quantum dynamics simulations, and cryogenic electron microscopy to determine interprotein energy transfer timescales. By varying the diameter of the nanodiscs, we replicated a range of distances between the proteins. The closest distance possible between neighboring LH2, which is the most common in native membranes, is 25 Å and resulted in a timescale of 5.7 ps. Larger distances of 28 to 31 Å resulted in timescales of 10 to 14 ps. Corresponding simulations showed that the fast energy transfer steps between closely spaced LH2 increase transport distances by ∼15%. Overall, our results introduce a framework for well-controlled studies of interprotein energy transfer dynamics and suggest that protein pairs serve as the primary pathway for the efficient transport of solar energy.

59 BASIC BIOLOGICAL SCIENCES↗