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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 667 records · Page 37

Characterizing the composition, structure, and mechanical properties of magnetron sputtering physical vapor deposition TiN and TiSiN coatings

Ti(Si)N coatings were deposited on Si wafers via magnetron sputtering physical vapor deposition technique. Scanning electron microscopy and atomic force microscopy were used to study the morphologies, grain size, and thicknesses of the different films. X-ray diffraction confirmed the formation of the titanium nitride cubic phase. X-ray photoelectron spectroscopy (XPS) was used to study the silicon and oxygen levels in the films, and high resolution XPS was used to determine the surface oxide to nitride ratios as well as the silicon–nitrogen environment. The hardness of these films was then determined with nanoindentation. It was shown that grain size and film density could be controlled by the Si level and the ion bombardment to eliminate the oxygen level in the nitride coatings, which led to the harder films. It was suggested that due to the miscibility of Si, a ternary TiSiN solid solution was formed. Stronger (200) orientation of the TiN B1-NaCl crystals was associated with increased hardness of the coatings. In conclusion, this crystalline structure was preserved after incorporating Si.

36 MATERIALS SCIENCE↗

Hybrid-RL-MPC4CLR (Hybird-Reinforcement-Learning-Model-Predictive-Control-for-Reserve-Policy-Assisted-Critical-Load-Restoration-in-Distribution-Grids)

Hybrid-RL-MPC4CLR was developed as a hybrid controller for active distribution grid critical load restoration, combining deep reinforcement learning (RL) and model predictive control (MPC) aiming at maximizing total restored load following an extreme event. The RL determines a policy for quantifying operating reserve requirements, thereby hedging against uncertainty, while the MPC models grid operations incorporating the RL policy actions (i.e., reserve requirements), renewable (wind and solar) power predictions, and load demand forecasts. The developers formulated the reserve requirement determination problem as a sequential decision-making problem based on the Markov Decision Process (MDP) and design an RL learning environment based on the OpenAI Gym framework and MPC simulation. The RL agent reward and MPC objective function aim to maximize and monotonically increase total restored load and minimize load shedding and renewable power curtailment. The software is developed using various software packages in Python. The MPC's optimal power flow (OPF) model is implemented using the Pyomo package, the RL simulation environment is implemented using the MPC simulation with various scenarios of renewable energy and load demand profiles and power outage beginning times, based on the OpenAI Gym framework. The RL agent training is performed using the RLlib Ray package. The RL algorithm is trained offline using historical forecasts of renewable generation and load demand profiles. Simulation analysis and performance tests are conducted using a modified IEEE 13-bus distribution test feeder containing wind turbine, photovoltaic, microturbine, and battery.

Eseye, Abinet Tesfaye↗

Long Term Degradation of LSM Based SOFC Cathodes: Use of a Proven Accelerated Test Regimen

The overall goals of the program were: • To understand the microstructural basis of long-term performance loss in solid oxide fuel cells (SOFCs) with cathodes based on lanthanum strontium manganite (LSM, (La 1–x Sr x ) 1–yM nO 3±z ); • To develop strategies for optimizing LSM–based cathodes that achieve improved long-term performance, while exhibiting microstructural and chemical stability, for commercial fuel cell systems. The research project carried out accelerated testing of SOFCs with LSM-based cathodes of selected compositions. After intervals of accelerated testing (and control tests using non-accelerated conditions), the cells underwent extensive microstructural characterization to determine the physical and chemical changes in the cells. By analysis of a) the results of the testing, b) the observed microstructural changes, and c) the differences in these correlations between different cathode compositions and test durations, the research: • Identified a correlation between microstructural change and performance loss: specifically, between decrease of three-phase boundary (TPB) density and increase of area specific re-sistance (ASR) during operation; • Identified a cathode composition parameter — Mn excess, defined as 1/(1–y) in (La 1–x Sr x ) 1–y MnO 3±z ) — and how it affects TPB density, ASR and change of cell performance over time.

08 HYDROGEN↗

VERA Enhancements for Cross Section Shielding and Geometry Capabilities

Two tasks were undertaken in FY22 that focus on VERA enhancements. The first task involved improvements to the new cross section shielding capability that was added to VERA in FY21. This cell-based capability solves the slowing down problem for each pin cell using Dancoff factors calculated from the whole-core problem. The Dancoff factors are determined for each subgroup level for important sets of materials such as fuel rods, control rods, fuel rods loaded with gad, etc. The cross-section shielding is then performed for each cell using a 1D cylindrical collision probabilities (CP) calculation to obtain the equivalence cross sections required for the core transport calculations. The advantage of this method over the whole-core subgroup calculations is efficiency, since far fewer sweeps of the entire core are required.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Method and device for controlling heat pump

A method for controlling a heat pump is provided. A working mode of the heat pump is determined. Based on a determination that the working mode of the heat pump is a heating mode, an ambient temperature of the heat pump is determined. Based on a determination that the ambient temperature of the heat pump is higher than a first predetermined temperature, a first compressor of the heat pump is operated. Based on a determination that the ambient temperature of the heat pump is lower than the first predetermined temperature, both the first compressor and a second compressor of the heat pump are enabled to operate, in response to a two-stage thermostat. The first compressor and the second compressor are coupled in parallel. The method allows the heat pump to be suitable for a cold climate.

42 ENGINEERING↗

Method of transient control for robust enrichment operation in low temperature combustion engine

A method of transient control for enrichment operation in a low-temperature combustion engine. The method includes determining if a current mode of the low-temperature combustion (LTC) engine is a positive valve overlap (PVO) mode. Determining if a previous mode of the LTC engine was also the PVO mode when the current mode is the PVO mode, wherein the previous mode is immediately prior to the current mode. Determining if the previous mode of the LTC engine was a negative valve overlap (NVO) mode when the previous mode was not the PVO mode. Initiating a predetermined enrichment PVO mode for the LTC engine based on the previous mode of the LTC engine. The predetermined enrichment PVO mode includes initiating a deep enrichment PVO mode, when the previous mode of the LTC engine was the NVO mode, and initiating a shallow enrichment PVO mode, when the previous mode of the LTC engine was not the NVO mode.

Yun, Hanho↗

Phosphor thermometry device for synchronized acquisition of luminescence lifetime decay and intensity on thermal barrier coatings

A phosphor thermometry device includes a laser that generates a laser pulse onto a thermal barrier coating (TBC) applied onto a substrate. A metallic bond coat layer is on the substrate. A ceramic top coat layer is on the bond coat layer and includes an undoped layer and a doped sensing layer having co-doped first and second rare-earth luminescent dopants that emit respective first and second different emission wavelengths upon excitation by the laser pulse. A detector receives reflected, convoluted luminescence signals from the TBC. First and second photomultiplier devices detect respective first and second different emission wavelengths of the convoluted luminescence signals. A controller receives and processes signals generated from respective first and second photomultiplier devices and determines luminescence lifetime decay and intensity variations for each of the respective first and second rare-earth luminescent dopants for temperature monitoring of the TBC.

Fouliard, Quentin↗

UNCERTAINTIES FOR IN-REACTOR TESTING OF TRITIUM LOADED GETTERS WITH TEMPERATURE CONTROL

The fourth experiment in TPBAR Materials Irradiation Separate-Effects Test (TMIST) series (TMIST-4) is planned to experimentally determine the effect of neutron irradiation on the equilibrium vapor pressure of tritium over a tritium loaded Nickel-Plated Zirconium (NPZ) getter in a simulated TPBAR service environment. This pressure will be used to estimate the tritium permeation rate. In the thermal design in the TMIST-4, two evaluations are required. 1) The cladding temperature is calculated to estimate the feasibility of detecting potential irradiation enhancement of the partial pressure for an NPZ getter. This work is required to obtain a precise cladding temperature for measurement of a low tritium partial pressure. This work has been completed and indicated that the required/target cladding temperatures based on the TMIST-4 test plan can be satisfied under the test condition range by modifying the capsule component shapes and inserting a thermally conductive metal sleeve. 2) The evaluation of uncertainties associated with the test design and operation is performed. This includes fabrication tolerances, and power and nuclear operating conditions. These factors will impact the component temperatures inside capsules and resulting the tritium partial pressure. The tritium permeation rate is a function of temperature and tritium partial pressure. The prediction of tritium permeation rates affects the feasibility of obtaining measurement resolutions required to reach reasonable conclusion for potential irradiation enhanced performance. This work will investigate the uncertainties.

TTP, TPBAR, TMIST-4, TPBAR Materials Irradiation S↗

Investigating Radiation-Induced Actinide Species in Solution

Our fundamental understanding of actinide radiation-induced redox chemistry is crucial to nuclear fuel cycle development, due to the unavoidable exposure of these elements to ionizing radiation fields, both inherent and from in-process applications. Plutonium (Pu) and americium (Am) both possess multiple oxidation states, the careful manipulation of which are essential in the study and utilization of their rich chemistry, developing new nuclear technologies, and securing the long-term sustainability of nuclear power. However, knowledge in this area is far from complete. Consequently, we have studied the radiation-induced chemistry of both Pu and Am through a variety of techniques. Temperature-controlled electron pulse radiolysis has been used to study Am for the first time, determining the feasibility of Am redox reactions under used nuclear fuel reprocessing conditions, (e.g. nitric acid, non-ambient temperature). Additionally, we have developed an experimentally evaluated multi-scale computer model for the prediction of gamma radiation-induced Pu redox chemistry due to radiolysis and disproportionation reactions in concentrated nitric acid solutions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Investigating Radiation-Induced Actinide Species in Solution

Our fundamental understanding of actinide radiation-induced redox chemistry is crucial due to their unavoidable exposure to ionizing radiation fields, both inherent and from in-process applications. Plutonium (Pu) and americium (Am) both possess multiple oxidation states, the careful manipulation of which are essential in the study and utilization of their rich chemistry, developing new nuclear technologies, and securing the long-term sustainability of nuclear power. However, knowledge in this area is far from complete. Consequently, we have studied the radiation-induced chemistry of both Pu and Am through a variety of techniques. Temperature-controlled electron pulse radiolysis has been used to study Am for the first time, determining the feasibility of Am redox reactions under used nuclear fuel reprocessing conditions, (e.g. nitric acid, non-ambient temperature). Additionally, we developed an experimentally evaluated multi-scale computer model for the prediction of gamma radiation-induced Pu redox chemistry due to radiolysis and disproportionation reactions in concentrated nitric acid solutions.

actinide↗

Role of Dynamic Polarization Interactions in the Electrical Double Layer at Calcite (104) Interfaces with Aqueous Solutions

Reactions at mineral interfaces with aqueous solutions control many geochemical and biogeochemical processes in the Earth’s critical zone. At the molecular level, insights into important properties such as the structure of the electrical double layer (EDL) at specific mineral interfaces continue to improve due to the increasing fidelity of laboratory instrumentation and computational approaches. However, molecular simulation approaches suffer from limited reach into relevant scales of time, length, and system complexity. To span this gap, a novel hybrid approach that couples first principle plane-wave density functional theory (DFT) with classical DFT (cDFT) is demonstrated and applied to calcite (104) interfaces with various electrolytes. In this approach, a region of interest described using DFT interacts with the surrounding medium described using cDFT to arrive at a self-consistent ground state. Benchmarking against experimental observations and entirely first principle DFT simulations demonstrates that this hybrid model efficiently encompasses the key short-range and collective interactions in the EDL. Simulations of calcite (104)/solution interfaces reveal the key static and dynamic polarization interactions that give rise to structuring of ions and water. Ion hydration interactions have the strongest effect on the depth of the first minimum in the density distribution of counterions at the surface, and the position and width of the first density peak is largely determined by the strength of ion-correlation forces. Finer details of ion distributions are controlled by mutual polarization of the calcite surface and interfacial electrolyte. Finally, this new ability to efficiently and rigorously predict EDL structure at mineral surfaces in contact with complex solutions paves the way to accurately modeling sorption, nucleation, dissolution, and growth in realistic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of Real-Time System Identification to Detect Abnormal Operations in a Gas Turbine Cycle

Here, we present a novel online system identification methodology for monitoring the performance of power systems. This methodology was demonstrated in a gas turbine recuperated power plant designed for a hybrid configuration. A 120-kW Garrett microturbine modified to test dynamic control strategies for hybrid power systems designed at the National Energy Technology Laboratory (NETL) was used to implement and validate this online system identification methodology. The main component of this methodology consists of an empirical transfer function model implemented in parallel to the turbine speed operation and the fuel control valve, which can monitor the process response of the gas turbine system while it is operating. During fully closed-loop operations or automated control, the output of the controller, fuel valve position, and the turbine speed measurements were fed for a given period of time to a recursive algorithm that determined the transfer function parameters during the nominal condition. After the new parameters were calculated, they were fed into the transfer function model for online prediction. The turbine speed measurement was compared against the transfer function prediction, and a control logic was implemented to capture when the system operated at nominal or abnormal conditions. To validate the ability to detect abnormal conditions during dynamic operations, drifting in the performance of the gas turbine system was evaluated. A leak in the turbomachinery working fluid was emulated by bleeding 10% of the airflow from the compressor discharge to the atmosphere, and electrical load steps were performed before and after the leak. This tool could detect the leak 7 s after it had occurred, which accounted for a fuel flow increase of approximately 15.8% to maintain the same load and constant turbine speed operations.

algorithms↗

ARMing the Edge: Demonstration of Edge Computing Field Campaign Report

Edge computing enables “next-to-instrument” control and intelligent data volume reduction and the potential for autonomous, adaptive measurement strategies such as for automated control of scan strategies for Doppler lidar (DL). Instruments with narrow bandwidth connections (e.g., ship and remote sites) can do scene determination and save phenomenon-appropriate data. For example, Doppler spectrum can be saved when clouds are detected by the instrument or automatic moment detection can take place in camera images and only preserve spectrum when non-monomodal spectra are detected. Automated control at the edge involves changing the sampling (temporal or scanning strategy) of an instrument to suit the phenomena both present and being studied (Jackson et al. 2020). Both data processing and instrument control introduces the possibility of a software-defined instrument.

54 ENVIRONMENTAL SCIENCES↗

Probing drift velocity dispersion in MAPbI 3 photovoltaic cells with nonlinear photocurrent spectroscopy

Conventional time-of-flight (TOF) measurements yield charge carrier mobilities in photovoltaic cells with time resolution limited by the RC time constant of the device, which is on the order of 0.1–1 µs for the systems targeted in the present work. We have recently developed an alternate TOF method, termed nonlinear photocurrent spectroscopy (NLPC), in which carrier drift velocities are determined with picosecond time resolution by applying a pair of laser pulses to a device with an experimentally controlled delay time. In this technique, carriers photoexcited by the first laser pulse are “probed” by way of recombination processes involving carriers associated with the second laser pulse. Here, we report NLPC measurements conducted with a simplified experimental apparatus in which synchronized 40 ps diode lasers enable delay times up to 100 µs at 5 kHz repetition rates. Carrier mobilities of ∼0.025 cm 2 /V/s are determined for MAPbI 3 photovoltaic cells with active layer thicknesses of 240 and 460 nm using this instrument. Here, our experiments and model calculations suggest that the nonlinear response of the photocurrent weakens as the carrier densities photoexcited by the first laser pulse trap and broaden while traversing the active layer of a device. Based on this aspect of the signal generation mechanism, experiments conducted with co-propagating and counter-propagating laser beam geometries are leveraged to determine a 60 nm length scale of drift velocity dispersion in MAPbI 3 films. Contributions from localized states induced by thermal fluctuations are consistent with drift velocity dispersion on this length scale.

14 SOLAR ENERGY↗

Air quality and comfort constrained energy efficient operation of multi-zone buildings

Maintaining indoor air quality (IAQ) through effective ventilation is essential for the well-being and productivity of building occupants. Control strategies aimed at improving the efficiency of heating, ventilation and air conditioning (HVAC) systems must jointly determine ventilation and heating and cooling processes. Here, in this paper, we study the problem of minimizing the energy consumption of the HVAC system in a multi-zone building, while meeting thermal comfort and IAQ requirements. We first perform a steady state analysis of the zonal carbon dioxide (CO 2 ) concentration and the temperature dynamics. The resulting expressions are convex in the zonal mass flow rates and zonal temperatures. Guided by the steady state solutions for meeting the thermal comfort constraints, we develop two control policies for improving the energy efficiency of building HVAC systems while jointly satisfying indoor temperature and IAQ constraints. We compare the performance of our proposed approaches with those of multiple baseline approaches which implement separate regimes for controlling zonal temperature and IAQ for a typical work-day in a multi-zone campus building. We have evaluated the performance of our proposed approaches under varying levels of flexibility in zonal temperatures. We have shown that zonal temperature flexibility can result in energy savings up to 32% (for the same control strategies) as compared to the case where no such flexibility is permitted. Our proposed approaches were seen to offer potential savings of nearly 29% compared to the baseline.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Methane dynamics described through vegetation-soil interactions in bald cypress and other bottomland hardwood forests

Past estimates of CH4 fluxes from forested swamps ranged from 10 to 106 mg C m-2 d-1 in temperate regions and 44 to144 mg C m-2 d-1 in subtropical and tropical regions. However, climate change could alter these rates in wetlands where efflux is predominantly controlled by water level, temperature, and plant composition. While the Lower Mississippi Alluvial Valley has experienced the largest loss of forested wetlands in the U.S, supporting 21 to 25 million acres of bottomland hardwoods before European settlement, an estimated 5 million acres remain. This landscapes remain under-studied from a CH4 flux perspective, particularly in determining woody vegetation contributions to landscape CH4 emissions. Our overarching objective are to (1) improve our understanding of the controls on CH4 fluxes in forested mineral soil wetlands, and (2) to better understand the effects of landscape position and forest composition on the CH4 fluxes between terrestrial ecosystems and the atmosphere. Our main goal is to elucidate the

54 ENVIRONMENTAL SCIENCES↗

Harnessing Peptide Binding to Capture and Reclaim Phosphate

With rising consumer demands, society is tapping into wastewater as an innovative source to recycle depleting resources. Novel reclamation technologies have been recently explored for this purpose, including several that optimize natural biological processes for targeted reclamation. However, this emerging field has a noticeable dearth of synthetic material technologies that are programmed to capture, release, and recycle specified targets; and of the novel materials that do exist, synthetic platforms incorporating biologically inspired mechanisms are rare. We present here a prototype of a materials platform utilizing peptide amphiphiles that has been molecularly engineered to sequester, release, and reclaim phosphate through a stimuli-responsive pH trigger, exploiting a protein-inspired binding mechanism that is incorporated directly into the self-assembled material network. This material is able to harvest and controllably release phosphate for multiple cycles of reuse, and it is selective over nitrate and nitrite. We have determined by simulations that the binding conformation of the peptide becomes constrained in the dense micelle corona at high pH such that phosphate is expelled when it otherwise would be preferentially bound. However, at neutral pH, this dense structure conversely employs multichain binding to further stabilize phosphate when it would otherwise be unbound, opening opportunities for higher-order conformational binding design to be engineered into this controllably packed corona. With this work, we are pioneering a new platform to be readily altered to capture other valuable targets, presenting a new class of capture and release materials for recycling resources on the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On-Demand Selection of the Latent Domain Orientation in Spray-Deposited Block Copolymer Thin Films

With their ability to self-assemble spontaneously into well-defined nanoscale morphologies, block copolymer (BCP) thin films are a versatile platform to fabricate functional nanomaterials. An important challenge to wider deployment of BCPs in nanofabrication is combining precise control over the nanoscale domain orientation in BCP assemblies with scalable deposition techniques that are applicable to large-area, curved, and flexible substrates. Here, in this study, we show that spray-deposited smooth films of a nominally disordered BCP exhibit latent orientations, which can be prescriptively selected by controlling solvent evaporation during spray casting. Subsequent solvent vapor annealing triggers assembly toward highly ordered cylindrical morphologies along the pathway determined by solvent evaporation in the prior spray deposition stage. Faster evaporation promotes assembly of vertically oriented cylinders spanning the entire film thickness (100–300 nm). In comparison, slow solvent evaporation permits intermicellar aggregation and incipient cylinder formation in solution, which induces horizontal cylinder assembly upon annealing. The evaporatively controlled latent orientation mechanism presented herein elucidates how nonequilibrium phenomena during casting govern successive self-assembly pathways and facilitates a versatile method to dictate the domain orientation of BCP thin films on demand on flexible and highly curved substrates or in distinct pattern areas on the same substrate.

36 MATERIALS SCIENCE↗