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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 829 records · Page 46

Strain‐Enhanced Metallic Intermixing in Shape‐Controlled Multilayered Core–Shell Nanostructures: Toward Shaped Intermetallics

Abstract Controlling the surface composition of shaped bimetallic nanoparticles could offer precise tunability of geometric and electronic surface structure for new nanocatalysts. To achieve this goal, a platform for studying the intermixing process in a shaped nanoparticle was designed, using multilayered Pd‐Ni‐Pt core–shell nanocubes as precursors. Under mild conditions, the intermixing between Ni and Pt could be tuned by changing layer thickness and number, triggering intermixing while preserving nanoparticle shape. Intermixing of the two metals is monitored using transmission electron microscopy. The surface structure evolution is characterized using electrochemical methanol oxidation. DFT calculations suggest that the low‐temperature mixing is enhanced by shorter diffusion lengths and strain introduced by the layered structure. The platform and insights presented are an advance toward the realization of shape‐controlled multimetallic nanoparticles tailored to each potential application.

Williams, Benjamin P.↗

Roll-to-Roll, Dual-Layer Slot Die Coating of Chitin and Cellulose Oxygen Barrier Films for Renewable Packaging

Cellulose and chitin are the two most abundant naturally produced biopolymers and are being extensively studied as candidates for renewable oxygen barrier films used in packaging. It has been shown that bilayers formed from cellulose nanocrystals (CNCs) and chitin nanofibers (ChNFs) exhibit oxygen barrier properties similar to polyethylene terephthalate (PET). However, this prior work explored only coating each layer individually in sequence through techniques such as spray coating. Here, we demonstrate the viability of dual-layer slot die coating of CNC/ChNF bilayers onto cellulose acetate (CA) substrates. The dual-layer slot die method enables significantly lower oxygen permeability versus spray coating while using a roll-to-roll system that applies the bilayer in a single pass. This work discusses suspension properties, wetting, and drying conditions required to achieve well-controlled ChNF/CNC bilayers. Spray-coated bilayer films were on average 25% thinner than the dual-layer bilayer film; however, the thickness-normalized oxygen permeability (OP) of the dual-layer-coated ChNF/CNC bilayer film on CA was 20 times better than that of the spray-coated bilayers. Additionally, it has been shown that ChNF contributes to the wetting and barrier properties. Values of OP for the slot die-coated bilayers under optimized drying conditions were as low as 1.2 cm 3 ∙μm∙m -2 ∙d -1 ∙kPa -1 , corresponding to a normalized oxygen transmission rate of 0.32 cm 3 ∙m -2 ∙d -1 at 23 °C and 50% relative humidity. It is also noted that the adhesive properties of the dual-layer coating are also improved when films are air-dried and that ChNF contributes to the wetting and barrier properties.

09 BIOMASS FUELS↗

Magnetically confined surface and bulk excitons in a layered antiferromagnet

The discovery of two-dimensional van der Waals magnets has greatly expanded our ability to create and control nanoscale quantum phases. A unique capability emerges when a two-dimensional magnet is also a semiconductor that features tightly bound excitons with large oscillator strengths that fundamentally determine the optical response and are tunable with magnetic fields. Here, in this study, we report a previously unidentified type of optical excitation-a magnetic surface exciton-enabled by the antiferromagnetic spin correlations that confine excitons to the surface of CrSBr. Magnetic surface excitons exhibit stronger Coulomb attraction, leading to a higher binding energy than excitons confined in bulk layers, and profoundly alter the optical response of few-layer crystals. Distinct magnetic confinement of surface and bulk excitons is established by layer- and temperature-dependent exciton reflection spectroscopy and corroborated by ab initio many-body perturbation theory calculations. By quenching interlayer excitonic interactions, the antiferromagnetic order of CrSBr strictly confines the bound electron-hole pairs within the same layer, regardless of the total number of layers. Our work unveils unique confined excitons in a layered antiferromagnet, highlighting magnetic interactions as a vital approach for nanoscale quantum confinement, from few layers to the bulk limit.

36 MATERIALS SCIENCE↗

Automated Control for Nuclear Thermal Propulsion Start-Up using MOOSE-based Applications

This report presents a Griffin/Bison/RELAP-7 numerical model of a prototypical NTP system that features fuel assemblies arranged in rings, and which was designed to simulate rapid startup transients. The physics modeled include full-core neutronics, assembly-wise heat conduction, and conjugate heat transfer, with the balance of plant mainly imposed through boundary conditions. In addition, various forms of automated reactivity control were deployed by using the MOOSE to autonomously drive the model and simulate the reactor transitioning from assumed initial conditions to nominal power in a fraction of a minute. To generate the cross-sections of the neutronics model, and in an effort to simultaneously account for the tremendous axial temperature gradients in the reactor and to limit the number of state points required for cross-section generation, the average component temperatures and hydrogen densities in the cooling channels were correlated to the average fuel and moderator temperatures, and fixed axial profiles were derived for nominal conditions and then used during the transient. With this approximation, a tractable cross-section library tabulated with fuel/moderator temperatures and CD angles was generated using Serpent. The full-core SPH correction procedure and the CD decusping technology in Griffin, respectively, ensure preservation of the multiplication factor and reaction rates at state points, along with a reasonably accurate reactivity worth between tabulated CD angles, despite using a coarse mesh. Feedback from other physics was calculated by modeling one representative fuel assembly per ring, along with the corresponding fuel and moderator cooling channels. To limit power overshoots during startup, another layer of multiphysics coupling was added to the model in order to automatically control the drums. Two different technologies presented herein showed outstanding performance in this regard: (1) a novel hybrid PID controller based on both power and reactivity signals, and (2) a PGC that relies on kinetics parameters and reactivity coefficients to predict future behavior and adjust the desired signal accordingly. A challenging benchmark was devised, featuring a power demand curve that exponentially increases by a factor of 500 within 30 seconds, then levels out after that. Both control approaches create a simulated power curve that closely follows the power demand curve and limits power overshoots to 1% or less. While the former approach requires more tuning of the internal parameters, the latter requires additional knowledge of the reactivity feedback coefficients and rates of change of the corresponding variables, including fuel and moderator temperature, which could be difficult to dynamically measure for a real NTP system. Fortunately, some inaccuracy in these quantities will not drastically degrade the PGC performance. Subsequently, a more realistic startup sequence was considered, in which the mass flow rate and outlet pressures are ramped up to model bootstrap and thrust build-up phases prior to reaching steady-state conditions, demonstrating the ability of the hybrid PID and PGCs to handle such transients, with both types of controllers exhibiting very similar behavior. Nevertheless, a significant chamber temperature overshoot was observed, caused by the demanded power signal and assumed mass flow rate. This issue could be mitigated by deploying a reactor controller that follows the chamber temperature signal and actuates both the control valves and drums (rather than using a power signal based solely on the drums to control reactivity). Enhancement of the hydrogen fluid properties available in MOOSE, as well as a better understanding of prototypical initial conditions, are also needed to further enhance this startup model. Finally, a study was performed to model decay heat post-shutdown, and to prepare for extending this model to predict shutdown behavior and post-shutdown pulsed cooling requirements.

33 ADVANCED PROPULSION SYSTEMS↗

Pressure-Induced Insulator–Metal Transition in Two-Dimensional Mott Insulator NiPS 3

The pressure-induced insulator to metal transition (IMT) of layered magnetic nickel phosphorous tri-sulfide NiPS 3 was studied in-situ under quasi-uniaxial conditions by means of electrical resistance (R) and X-ray diffraction (XRD) measurements. This sluggish transition is shown to occur at 35 GPa. Transport measurements show no evidence of superconductivity to the lowest measured temperature (~2 K). The structure results presented here differ from earlier in-situ work that subjected the sample to a different pressure state, suggesting that in NiPS 3 the phase stability fields are highly dependent on strain. Furthermore, it is suggested that careful control of the strain is essential when studying the electronic and magnetic properties of layered van der Waals solids.

36 MATERIALS SCIENCE↗

Bridging Land-Surface Fluxes and Aerosol Concentrations to Triggering Convective Rainfall

During the period August 24-28, 2016, a delayed component the GO-Amazon Project, we launched nine altitude-controlled free balloons (CMET). Smaller than typical rawinsondes, CMET are equipped with altitude control, global communication via Iridium satellite, and aspirated sensors. The aims of our effort were to examine the interactions among convective boundary layer and dual river breeze circulations near the confluence of the Tapajos and Amazon Rivers in the eastern Basin. The week-long field campaign was timed to examine the reestablishment of the breeze circulations shortly after the passage of a strong instability line on August 22. Nine CMET were launched at the Curua-Una hydroelectric dam (2.8S; 54.3W), timed to encounter the Tapajos river breeze front by late afternoon. Soundings were made to establish the thickness of interface between the easterly trade and westerly Tapajos breeze circulation. Careful use of sounding strategies allowed these free balloons to track along the northerly channeled flow in the lowest 300 m above the River. Following the river encounter, balloons tracked to the west, sounding to describe the diurnal course of boundary layer in the forest west of the Tapajos River. The longest flight traveled more than 770 km over three days and twice rested overnight in the rain forest canopy. Ancillary data from surface climate and flux stations as well as the Santarem radiosonde, satellite images will be used to illustrate how the breeze circulations are seen near the surface and how they were disrupted by larger-scale events. Comparisons with HYSPLIT trajectories illustrate how sensitive real trajectories are to the refraction that the encounter with the breeze effects. A second effort was intensive analyses of data from the eddy flux tower at the Tapajós National Forest near Santarém Pará Brazil, with special emphasis on the role of clouds and canopy presence on light absorbance and photosynthetic activity.

54 ENVIRONMENTAL SCIENCES↗

Remote Radiation Sensing Using Aerial and Ground Platforms

Remote sensing of ionizing radiation has a significant role in waste management, nuclear material management and nonproliferation, and radiation safety. Robotic platforms can surpass the number of tasks that are achieved by humans. With this technique, the operator's radiation exposure can be decreased. Remote sensing allows for the evaluation and monitoring of radiological contamination. Gamma-ray and neutron sensors were integrated onto the robotic platforms. This approach allows for the radiation sensor data to be dynamically tracked and mapped thus enabling further analysis of the radiation flux in temporal and spatial domains. The goal is to complete scheduled tasks while the robot is being irradiated. To achieve this, electronic components must be shielded and radiation hardened. CZT Detector: Cadmium Zinc Telluride (CZT) detector technology has been a promising solution for gamma-ray and x-ray measurements. Detector data is transferred to the Odroid minicomputer that controls and powers the module via the USB. Robot Operating System (ROS) was utilized for data acquisition and data fusion. The Mariscotti method was employed for the spectrum analysis. A function was programmed in ROS for the automatic identification of photopeaks. CLYC Detector: A Cs{sub 2}LiYCl{sub 6}:Ce{sup 3+} (CLYC) detector was used for simultaneous medium-resolution gamma-ray measurements and neutron counting. A 2.54 cm diameter photomultiplier tube (PMT) was equipped with a high voltage supply and a miniature digitizer. Gamma-ray excitation: fast core-to-valence luminescence (CVL) with 1 ns decay constant, and prompt Ce{sup 3+} emission with 50 ns decay constant. Neutron excitation: slow cerium self-trapped excitation (Ce{sup 3+} STE), 1000 ns decay constant. Radiation Source Localization: Maximum Likelihood Estimation (MLE) and gradient-based methods were used to locate the position of a radiation source based on measured radiation intensities. Multi-Particle Transport Code FLUKA: Estimation of radiation damage of the electronic components is important in order to optimize the robot's operational time while it is irradiated. Displacement per atom (DPA) represents the radiation damage in materials exposed to the ionizing radiation. Various shielding layers of different thickness t were analyzed (< 5% statistical error). The model of the controller of the UAS was designed in FLUKA. Conclusion: CZT and CLYC detectors were integrated onto the robotic platforms. Radiation source localization and contour mapping using robotic platforms were studied. Functions for data analysis and fusion were developed in ROS. FLUKA code was utilized to analyze DPA values. Layers of low-density and high-density materials were used to shield the UAS electronics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Machine Learning-Assisted Framework to Control Thermally Anisotropic Building Envelopes in Residential Buildings

To curb the energy consumption of buildings and their related CO2 emissions, Oak Ridge National Laboratory (ORNL) has developed the thermally anisotropic building envelope (TABE) —a multi-layer design comprising insulation materials and metal foils connected to thermal loops. In this study, a machine learning-assisted framework was developed to control the TABE in residential buildings to reduce the computation load for future optimal rule-based control and application. First, a 2D finite element model was established in COMSOL to calculate the hourly heat flux through exterior walls installed with the TABE. Then, TABE wall heat fluxes were simulated for various given indoor and outdoor boundary conditions, as well as thermal loops fluid temperatures and flow rates. Since the finite element simulations are computationally expensive, an artificial neural network (ANN) was then trained to use as a proxy of the finite element (COMSOL) modeling. Finally, the trained ANN model was coupled with the EnergyPlus model to predict the energy consumption of a US Department of Energy prototype single-family house installed with the TABE. An optimal simple rule-based control was determined from predefined rules for a case study. The results demonstrate that the developed machine learning–assisted framework can reduce 99.9% of the computation time while efficiently managing residential building energy for installed TABE walls.

Shen, Zhenglai↗

Strain Relaxation and Relative Defect Density with Thickness in MBE-Grown Ge 0.85 Sn 0.15 on Ge(001)

Germanium–tin (GeSn) alloys are emerging as promising materials for mid-infrared optoelectronics and silicon-compatible photonic devices, owing to their tunable direct bandgap. However, the growth of high-quality GeSn films with high Sn content remains challenging due to strain-induced defect formation. In this study, we investigate the role of film thickness on strain-induced relaxation, defect density, and Sn segregation. A series of five samples with varying thicknesses and ∼15% Sn-containing GeSn layers were grown, ranging from the critical thickness for strain relaxation to the onset of Sn segregation. All GeSn samples were analyzed using X-ray diffraction reciprocal space mapping (XRD-RSM) to explore the evolution of strain-induced relaxation as a function of thickness. Photoluminescence measurements reveal that increasing the GeSn thickness enhances strain relaxation while reducing defect-related emission, indicating a decrease in effective defect density prior to reaching the threshold thickness of GeSn layer. At a thickness of ∼150 nm, the GeSn layer shows the onset of Sn segregation, evident in the XRD-RSM spectrum, marking the threshold thickness for Sn segregation. This work defines an effective growth window in terms of thickness (35 to 150 nm) for fabricating relaxed, defect-suppressed GeSn layers with 15% Sn content. These findings emphasize the crucial role of thickness control in balancing strain relaxation and defect suppression, advancing the fabrication of high-quality, high Sn-content relaxed GeSn using molecular beam epitaxy.

Defects↗

Droplet Number Concentration Value-Added Product

The ndrop_mfrsr value-added product (VAP) provides an estimate of the cloud droplet number concentration of overcast water clouds retrieved from cloud optical depth from the multi-filter rotating shadowband radiometer (MFRSR) instrument and liquid water path (LWP) retrieved from the microwave radiometer (MWR). When cloud layer information is available from vertically pointing lidar and radars in the Active Remote Sensing of Clouds (ARSCL) product, the VAP also provides estimates of the adiabatic LWP and an adiabatic parameter (beta) that indicates how divergent the LWP is from the adiabatic case. quality control (QC) flags (qc_drop_number_conc), an uncertainty estimate (drop_number_conc_toterr), and a cloud layer type flag (cloud_base_type) are useful indicators of the quality and accuracy of any given value of the retrieval. Examples of these major input and output variables are given in sample plots in section 6.0.

97 MATHEMATICS AND COMPUTING↗

System and method for thermal emission control using segmented array

The present disclosure relates to a thermal emissivity control system. The system may have a segmented array that makes use of a thermally conductive base layer configured to be connectable to an external heat generating subsystem, with the base layer including a thermally emissive surface. The array may also have a plurality of actuation elements at least one of positioned on or adjacent to the thermally emissive surface. A plurality of movable shutter elements is disposed adjacent one another in a grid pattern, and controlled in movement by the actuation elements to create gaps of controllably varying dimension therebetween. The shutter elements control at least one of a magnitude of, or direction of, thermal radiation through the gaps.

Panas, Robert Matthew↗

Unidirectional multipulse helicity-independent all-optical switching in [Ni/Pt] based synthetic ferrimagnets

Nickel-platinum-based synthetic ferrimagnets (SFi's) are highly tunable and rare-earth-free materials that allow ultrafast all optical control of magnetism to be explored. This study considers a SFi composed of a ferromagnetic [Ni/Pt] multilayer and a ferromagnetic Co layer, separated by an Ir layer that mediates an antiferromagnetic coupling. Helicity-independent all optical switching (HI-AOS) between two antiparallel magnetization states is observed. AOS may be realized at increased temperature through reduction of the thickness of the Pt layers. Switching is unidirectional and has a strong dependence on the applied magnetic field history, which suggests the possible presence of a nanoscale magnetic texture that may be important in controlling AOS in SFi systems. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Assessment of the burning-plasma operational space in ITER by using a control-oriented core-SOL-divertor model

In future tokamaks, the control of burning plasmas will require careful regulation of the plasma density and temperature. Along with the design of effective burn-control systems, understanding how the fusion power varies in the density-temperature space is vital for the operation of fusion power plants. Here in this work, the steady-state operational space of ITER is studied using a control-oriented core-plasma model coupled to a two-point model of the scrape-off-layer (SOL) and divertor regions. The two models are coupled through the exchange of input-output parameters. The deuterium and tritium recycling from the wall are output parameters of the SOL-divertor model that are used as input parameters in the core-plasma density balance. Furthermore, the separatrix temperature, which is an output parameter of the SOL-divertor model, is incorporated into the radial core-plasma temperature profiles. Therefore, the temperature-dependent power balance of the plasma core is intimately linked to the SOL-divertor model. Both the power entering the SOL from the core, as determined by the core-plasma power balance, and the separatrix density, as dictated by the core-plasma density balance, are input parameters to the SOL-divertor model. They are control knobs in the SOL-divertor model that can be regulated using the core-plasma actuators: auxiliary power and pellet injection. There are various operational limitations, such as the saturation of the aforementioned actuators, that will prevent ITER from accessing certain high-fusion plasma regimes. The achievable tritium concentration in the fueling lines and the maximum sustainable heat load on the divertor will impose further restrictions. By accounting for these limitations, the ITER operational space is computed based on the coupled core-SOL-divertor model and visualized using Plasma Operation Contour (POPCON) plots that map performance metrics, such as the fusion to auxiliary power ratio, over the density-temperature space. Comparisons are drawn between plasmas with different recycling, confinement, and SOL-divertor conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Direct Chemical Vapor Deposition Synthesis of Porous Single-Layer Graphene Membranes with High Gas Permeances and Selectivities

Single-layer graphene containing molecular-sized in-plane pores is regarded as a promising membrane material for high-performance gas separations due to its atomic thickness and low gas transport resistance. However, typical etching-based pore generation methods cannot decouple pore nucleation and pore growth, resulting in a trade-off between high areal pore density and high selectivity. In contrast, intrinsic pores in graphene formed during chemical vapor deposition are not created by etching. Therefore, intrinsically porous graphene can exhibit high pore density while maintaining its gas selectivity. Here in this work, the density of intrinsic graphene pores is systematically controlled for the first time, while appropriate pore sizes for gas sieving are precisely maintained. As a result, single-layer graphene membranes with the highest H 2 /CH 4 separation performances recorded to date (H 2 permeance > 4000 GPU and H 2 /CH 4 selectivity > 2000) are fabricated by manipulating growth temperature, precursor concentration, and non-covalent decoration of the graphene surface. Moreover, it is identified that nanoscale molecular fouling of the graphene surface during gas separation where graphene pores are partially blocked by hydrocarbon contaminants under experimental conditions, controls both selectivity and temperature dependent permeance. Overall, the direct synthesis of porous single-layer graphene exploits its tremendous potential as high-performance gas-sieving membranes.

chemical vapor deposition↗

Final Technical Report for DE-SC0021049: Manipulating interfacial reactivity with atomically layered heterostructures

This final technical report summarizes the work accomplished in this DOE Early Career Research Program project that has established moiré superlattice materials and two-dimensional (2D) heterostructures as a highly tunable platform for controlling heterogeneous charge transfer (ET) kinetics at solid-liquid interfaces. By precisely engineering van der Waals heterostructures of atomically thin 2D materials, particularly bilayer and trilayer graphene with controlled twist angles, this project demonstrated systematic control of interfacial charge transfer rates spanning three orders of magnitude. This research addresses fundamental questions about how electronic structure, charge localization, and atomic layer-dependent properties govern charge transfer at electrochemical interfaces, with broad implications for energy conversion, electrocatalysis, and next-generation electrochemical devices.

36 MATERIALS SCIENCE↗

System and method for roll-to-roll film tensioning for reduced separation force during bottom-up stereolithography

The present disclosure relates to a tensioning system for use in a stereolithography manufacturing application. The system may have a build plate for supporting a three dimensional part being formed using a photo responsive resin, a base plate and a release element extending over the base plate. The release element is configured to receive a quantity of photo responsive resin for forming a new material layer of the three dimensional part. A pair of tensioning components are secured to opposite ends of the release element, and apply a controlled tension force to the release element during peeling of the release element to reduce a separation force required to separate the release element from the new material layer after the new material layer is cured.

Duoss, Eric B.↗

Electrical resistance of the current collector controls lithium morphology

Abstract The electrodeposition of low surface area lithium is critical to successful adoption of lithium metal batteries. Here, we discover the dependence of lithium metal morphology on electrical resistance of substrates, enabling us to design an alternative strategy for controlling lithium morphology and improving electrochemical performance. By modifying the current collector with atomic layer deposited conductive (ZnO, SnO 2 ) and resistive (Al 2 O 3 ) nanofilms, we show that conductive films promote the formation of high surface area lithium deposits, whereas highly resistive films promote the formation of lithium clusters of low surface area. We reveal an electrodeposition mechanism in which radial diffusion of electroactive species is promoted on resistive substrates, resulting in lateral growth of large (150 µm in diameter) planar lithium deposits. Using resistive substrates, similar lithium morphologies are formed in three distinct classes of electrolytes, resulting in up to ten-fold improvement in battery performance. Ultimately, we report anode-free pouch cells using the Al 2 O 3 -modified copper that maintain 60 % of their initial discharge capacity after 100 cycles, displaying the benefits of resistive substrates for controlling lithium electrodeposition.

25 ENERGY STORAGE↗

A deep learning framework for layer-wise porosity prediction in metal powder bed fusion using thermal signatures

Abstract Part quality manufactured by the laser powder bed fusion process is significantly affected by porosity. Existing works of process–property relationships for porosity prediction require many experiments or computationally expensive simulations without considering environmental variations. While efforts that adopt real-time monitoring sensors can only detect porosity after its occurrence rather than predicting it ahead of time. In this study, a novel porosity detection-prediction framework is proposed based on deep learning that predicts porosity in the next layer based on thermal signatures of the previous layers. The proposed framework is validated in terms of its ability to accurately predict lack of fusion porosity using computerized tomography (CT) scans, which achieves a F1-score of 0.75. The framework presented in this work can be effectively applied to quality control in additive manufacturing. As a function of the predicted porosity positions, laser process parameters in the next layer can be adjusted to avoid more part porosity in the future or the existing porosity could be filled. If the predicted part porosity is not acceptable regardless of laser parameters, the building process can be stopped to minimize the loss.

42 ENGINEERING↗