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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 163 records · Page 9

Updated sustainability status of cadmium telluride thin‐film photovoltaic systems and projections

This paper provides a comprehensive assessment of the up-to-date life-cycle sustainability status of cadmium-telluride based photovoltaic (PV) systems. Current production modules (Series 6 and Series 7) are analyzed in terms of their energy performance and environmental footprint and compared with the older series 4 module production and current single-crystalline Silicon (sc-Si) module production. For fixed-tilt systems with Series 6 modules operating under average US irradiation of 1800 kWh/m 2 /year, the global warming potential (GWP) is reduced from 16 g CO 2eq /kWh in Series 4 systems to 10 CO 2 eq /kWh in Series 6 systems. For operation in US-SW irradiation of 2300 kWh/m 2 /year, the GWP is reduced from 11 to 8 CO 2eq /kWh and for 1-axis tracking systems operating in Phoenix, Arizona, with point-of array irradiation of 3051 kWh/m 2 /year the GWP is reduced to 6.5 CO 2eq /kWh. Similar reductions have happened in all environmental indicators. Energy payback times (EPBT) of currently installed systems range from 0.6 years for fixed–tilt ground–mounted installations at average US irradiation at latitude tilt installations to 0.3 years for one-axis trackers at high US-SW irradiation, considering average fossil-fuel dominated electricity grids with fuel to electricity conversion efficiency of 0.3. The resulting energy return on energy investment (EROI) also depends on the conversion efficiency of the electricity grid and on the operation life expectance. For a 30-year operational life and grid conversion efficiency of 0.3, EROI ranges from 50 (at US average irradiation) to 70 for US-SW irradiation. The EROI declines with increased grid conversion efficiency; for CdTe PV operating in south California with grid conversion efficiency of 49%, the EROI is about 50 and is projected to fall to 30 when the state's 2030 target of 80% renewable energy penetration materializes. Material alternatives that show a potential of further reductions in degradation rates and materials for enhanced encapsulation that would enable longer operation lives have also been investigated. A degradation rate of 0.3%/year, which has been verified by accelerated testing, is assumed in 30-year scenarios; this is projected to be reduced to 0.2%/year in the near-term and potentially to 0.1%/year in the longer term. With such low degradation rates and enhanced edge-sealing, modules can last 40- to 50-years. Consequently, all impact indicators will be proportionally reduced while EROI will increase. This detailed LCA was conducted according to ISO standards and IEA PVPS Task 12 guidelines. Furthermore, the study revealed that the choices of system models, methods and temporal system boundaries can significantly impact the results and points out to the need to include assumptions regarding these choices in the “transparency in reporting” requirements listed in the IEA PVPS Task 12 Guidelines.

14 SOLAR ENERGY↗

HRTEM Imaging and Mechanistic Insights Into Carbon Nanotube Nucleation and Growth on Fe Nanocatalysts in a Thermal Plasma

Thermal plasma decomposition of natural gas is a scalable pathway for the production of hydrogen alongside high-value carbon nanotubes (CNTs). Metals evaporate from an electrode and condense to form seed nanoparticles that nucleate and grow CNTs. However, the lack of mechanistic understanding of the CNT nucleation and growth processes in thermal plasma makes control over CNT diameter, chirality, length, and yield difficult. We debundled and separated CNTs from soots produced using iron (Fe) nanocatalysts, and distributed them on monolayer graphene for high-resolution transmission electron microscopy (HRTEM) imaging to gain mechanistic insights. Full graphene encapsulation was found for relatively small Fe nanoparticles that were molten at high temperatures. Zigzag single-wall or double-wall CNTs (SWCNTs or DWCNTs) appeared to have grown out directly from the graphene covering on the conical or cylindrical bodies of small molten Fe nanodroplets with high curvature. Also, SWCNTs likely grew out from H- or O-atom etched single-wall carbon nanocones observed on conical Fe nanoparticles. A SWCNT/DWCNT could also be generated from the cracked opening of the graphene covering on a face-centered cubic (FCC) Fe nanoparticle. A simple, plausible pathway is proposed for the growth of an open, H-passivated, zigzag SWCNT involving reaction of CH 2 and CH radicals at high temperatures.

Fe nanocatalysts↗

Mechanical Design Guidelines to Inhibit Fracture in Perovskite Solar Cells

Perovskite (PVSK) solar cells offer significant benefits over conventional silicon cells including low-cost solution processibility, minimal materials usage related to strong photon absorption in thin-film cell architectures, and a tunable bandgap. However, PVSK films are mechanically fragile, and fracture of PVSK layers and adjacent interfaces are a significant concern during fabrication, encapsulation, and operation. Herein, a thin-film mechanics fracture analysis tailored for p–i–n and n–i–p PVSK solar cells on both soda lime glass and polyimide substrates fabricated with three PVSK crystallization methods is presented. Here, the role of thermal processing of each cell layer is explored to determine the maximum allowable temperature below which fracture is inhibited. In the analysis, the mechanics basis for processing and materials selection guidelines for preventing fracture in PVSK solar cells is provided.

adhesion↗

MatRIS: Addressing the Challenges for Portability and Heterogeneity Using Tasking for Matrix Decomposition (Cholesky)

The ubiquitous in-node heterogeneity of HPC and cloud computing platforms makes software portability and performance optimization extremely challenging. Described here, the MatRIS multilevel math library abstraction framework employs tasking to alleviate these difficulties. MatRIS includes the IRIS task-based runtime on the bottom level and exposes different layers of abstraction to render algorithms architecturally agnostic. MatRIS ensures the decomposition and creation of tasks that represent the necessary encapsulation of the optimized kernels from both vendor and open-source math libraries. Once built, MatRIS can select different combinations of accelerators at runtime, making it portable even on diverse heterogeneous architectures. By leveraging the IRIS runtime’s features for managing heterogeneity, MatRIS deploys algorithms that remove the need to specify orchestration and data transfer. This study describes how the serial task abstraction of a tiled Cholesky factorization is made portable and scalable in the case of multi-device and multi-vendor heterogeneity on a node with NVIDIA and AMD GPUs by using MatRIS. First, we demonstrate that Cholesky in MatRIS provides multi-GPU scalability that offers competitive performance versus cuSolverMG. Then, we present the challenges and opportunities for heterogeneous execution.

Monil, M. A. H.↗

Measuring quantum discord at the LHC

There has been an increasing interest in exploring quantities associated with quantum information at colliders. We perform a detailed analysis describing how to measure the quantum discord in the top anti-top quantum state at the Large Hadron Collider (LHC). While for pure states, quantum discord, entanglement, and Bell nonlocality all probe the same correlations, for mixed states they probe different aspects of quantum correlations. The quantum discord, in particular, is interesting because it aims to encapsulate all correlations between systems that cannot have a classical origin. We employ two complementary approaches for the study of the top anti-top system, namely the decay method and the kinematic method. We highlight subtleties associated with measuring discord for reconstructed quantum states at colliders. Usually quantum discord is difficult to compute due to an extremization that must be performed. We show, however, that for the $t\bar{t}$ system this extremization can be performed analytically and we provide closed-form formulas for the quantum discord. We demonstrate that with current LHC datasets, quantum discord can be observed at 3.6 – 5.7σ, depending on the signal region, with the decay method and can be measured at a precision of 0.1 – 0.2% with the kinematic method. At the high luminosity LHC, the observation of quantum discord is expected to be > 5σ using both the decay and kinematic methods and can be measured with a precision of 5% with the decay method and 0.05% with the kinematic method. Additionally, we identify the kinematic cuts at the LHC to isolate the $t\bar{t}$ state that is separable but has non-zero discord. By systematically investigating quantum discord for the first time through a detailed collider analysis, this work expands the toolkit for quantum information studies in particle physics and lays the groundwork for deeper insights into the quantum properties in high-energy collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A scalable and autoclavable oxygen nanosensor platform for metabolic monitoring of Saccharomyces cerevisiae in a bioreactor and other in situ systems

Polymer-encapsulated dye nanoparticle sensors are a valuable approach to achieving in situ analyte measurements with luminescence; however, typical emulsion-based nanosensors are poorly suited for large-scale biological samples due to limitations of synthesis scalability and stability. Branched polyethylenimine (PEI) is a versatile polymer scaffold ideal for constructing nanoparticles with various covalently conjugated moieties due to their high density of reactive primary amines, high water solubility, and biological stability. In this work, we used branched polyethylenimine as a scaffold-based approach for making a stable and scalable ratiometric oxygen sensor. Pt (II) tetracarboxyporphine was used as an oxygen-sensing dye and coumarin 343 as a reference dye, all covalently linked to the PEI scaffold producing a product that could withstand sterilization procedures and easily be scaled. To minimize toxicity from the PEI scaffold, we conjugated it with 2000 MW PEG. The applicability of the sensors was demonstrated in a 200 mL Saccharomyces cerevisiae yeast culture, using orthogonal luminescent and electrochemical oxygen measurements to validate sensor response and measure the metabolic activity of the yeast in our culture. Further, this approach was able to match the sensitivity of our electrochemical measurements while improving upon drawbacks of other luminescent methods of oxygen detection, demonstrating effective monitoring for at least 20 h. Our scaffold-based approach is a modular and easily translatable technology that could be useful in various biotechnological applications.

59 BASIC BIOLOGICAL SCIENCES↗

Comprehensive review of 2 β decay half-lives

Here, the double-beta (2 β )-decay is the rarest nuclear physics process, and its experimental half-lives (T 1/2 ) exceed the age of the Universe from nine to fourteen orders of magnitude. Double-beta decay was observed, and its half-life was measured in 14 parent nuclei using direct, radiochemical, and geochemical methods. The decay observables are analyzed using the Evaluated Nuclear Structure Data File (ENSDF) procedures, and the recommended T 1/2 were deduced. Using the calculated values of phase factors, the effective nuclear matrix elements were extracted and compared with available data. Thousands of theoretical and experimental works have been dedicated to these topics in the last 85 years, and we present two data sets of recommended values to encapsulate the results.

2β-decay↗

Uncertainty quantification of a physics-informed model based on sparse identification of a Thermal Energy Distribution System

Integrated energy systems (IES)s are crucial for enhancing the economy and efficiency of power generation sources (e.g., nuclear energy) necessary to unleash American energy dominance. These systems can be integrated with thermal energy storage (TES) and intermittent renewable energies to optimize overall energy use, peak-load regulation, and demand-side responses. However, the stabilization of energy generation, transport, and utilization introduces operational complexities that exceed the challenges of managing each sub-component individually. Currently, though IESs rely on human operators for efficiency and stability, reducing human error risk and enhancing performance through automation is highly desirable. Recent advances at Idaho National Laboratory have demonstrated successful control of the Thermal Energy Distributed System (TEDS). However, the automatic control system depends on a deterministic Sparse Identification of Nonlinear Dynamics with Control (SINDyC) model, which are trained based on simulation data from physics-based simulations. Because of uncertainties in physics-based simulation, SINDyC model results in large discrepancies against experimental data and cannot be reliably used in automatic control. In this paper, we present an innovative approach to address these discrepancies by quantifying uncertainties and developing a more robust model. We first generated trajectories by using first-principles physics codes to encapsulate the experiment. Next, we trained thousands of models by randomly sampling these trajectories. We then collapsed all those models into one probabilistic SINDyC by fitting a multivariate Gaussian distribution onto the resulting coefficient’s distribution. Despite its simplicity, our approach successfully produced 95% confidence intervals that captured the experimental trajectories. It even did so with a higher probability and better U-pooling score across six of the seven relevant quantities of interest (QoIs), as compared to other classical approaches. In conclusion, ongoing research is focusing on generating new experimental trajectories to validate this approach, and on employing Bayesian calibration to refine parametric uncertainties and guide future model development efforts.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Synthesis and characterization of photo-cross-linkable quince seed-based hydrogels for soft tissue engineering applications

The convenience, versatility, and biocompatibility of photocrosslinkable hydrogel precursors make them promising candidates for developing tissue engineering scaffolds. However, the current library of photosensitive materials is limited. This study reports, for the first time, the modification of quince seed mucilage (QS) with glycidyl methacrylate (GM), resulting in the synthesis of methacrylated QS (QSGM). The chemical composition and structure of QS were analyzed. The effects of reaction time, temperature, QS concentration, and GM/QS ratio on the degree of methacrylation, as well as the physicochemical, rheological, mechanical, and biological properties of the synthesized materials were explored. Chemical characterization using 1H NMR and FTIR confirmed the successful methacrylation of QS. Hydrogels fabricated from QSGMs at a 0.5 wt% concentration exhibited high swelling ratios of 320 to 580 g/g, and compressive strengths between 0.6 ± 0.1 and 1.2 ± 0.3 kPa. No significant changes in the rheological properties of hydrogel precursors were observed. Moreover, QSGM-based hydrogels supported cell encapsulation for 14 days with minimal cytotoxicity and immune cell activation. Finally, as a proof of concept, the potential use of QSGM for 3D printing was demonstrated. Overall, the results highlight the significant potential of QSGMs as a biomaterial of choice for soft tissue engineering applications.

3D printing↗

Artificial Transmembrane Channel Constructed from Shape-Persistent Covalent Organic Molecular Cages Capable of Ion and Small Molecule Transport

Shape-persistent arylene ethynylene molecular cages have been investigated as transmembrane channels for ions and small molecules. The molecular cages were obtained starting from tetrayne monomers through alkyne metathesis cyclooligomerization. We found these porphyrin-based rigid molecular cages can insert into the lipid bilayer and efficiently transport ions and small molecules (e.g., calcein). Our study reveals longer hydrophobic alkyl chains on the cage molecule promote the channeling efficiency, while shorter and/or more polar side chains impair such activity. Kinetic analysis shows linear correlation between the rate of proton transport and the concentration of the cage, suggesting the active species is likely a monomeric cage. We found that C70-encapsulated cages are nearly inactive for transmembrane ion transportation, indicating that ions are likely transported through the internal cavity of the cage. Discrete shape-persistent organic cages represent highly stable synthetic ion channels or pores, which could have interesting applications in biomimetic signaling and drug delivery.

alkyne metathesis↗

A catalyst that never rests: Cu/ZnO/Al2O3 under CO2 hydrogenation

For decades, the identity of the active site responsible for carbon dioxide-to-methanol conversion on industrial Cu/ZnO/Al₂O₃ has remained at the center of debate in catalysis. In a recent Nature Catalysis study, Lunkenbein and co-workers use operando transmission electron microscopy to reveal this catalyst in constant motion, cycling between alloyed, oxidized, and encapsulated states as it responds to the competing drives of carbon dioxide activation and hydrogenation.

03 NATURAL GAS↗

Self-healing carbon fiber/epoxy laminates with particulate interlayers of a low-melting-point alloy

In order to prolong the service life of fiber-reinforced polymer composites, the implementation of self-healing ability with the micro-encapsulated healing agent has been extensively studied. However, such microcapsule-based self-healing composites typically suffer from degraded mechanical properties due to the liquid-phase inclusions, thereby limiting their proliferation. Here, in this study, a low-melting-point alloy is utilized as the particulate inclusions of carbon fiber/epoxy laminated composites. Field's Metal particles (melting point: 62 °C) are distributed between woven carbon fiber preforms followed by the resin impregnation to realize laminated composites with a Field's Metal-enhanced interlayer(s). The resulting laminated composites demonstrate the autonomic repair of interlaminar failure with a 40 % of healing efficiency. Most of all, the mechanical properties of these self-healing laminated composites are comparable to the conventional laminated composites attributed to the rigid inclusions that can be compressed to increase the fiber volume. Since the Field's Metal particle inclusions can bestow polymer composites with self-healing ability and the potential increase in mechanical properties, Field's Metal-enhanced fiber-reinforced polymer composites are expected to unlock the practical utility of self-healing composites.

A. polymer-matrix composites (PMCs)↗

Bacterial microcompartment architectures as biomaterials for conversion of gaseous substrates

Bacterial microcompartments (BMCs) are protein shells encapsulating multiple enzymes of a metabolic pathway. Interpretations of early experiments on carboxysomes led to the narrative that transport of small gases (CO 2 , O 2 ) across the shell membrane is restricted. Since then, this notion has been largely contradicted by studies of engineered shells, although these shell constructs lack important proteins present in the native BMCs, altering the synthetic shells’ topology, surface and mechanical properties. Here, we discuss here an updated model of gas permeability that informs the design of engineered shells for catalysis on gas substrates and outline how nonshell suprastructures of BMC shell proteins could be used in formulating sustainable biomaterials for hydrogen generation via methane pyrolysis and for other greenhouse gas mitigations.

Bacterial microcompartment↗

WigglyRivers: A tool to characterize the multiscale nature of meandering channels

Channel sinuosity is ubiquitous along river networks, producing complex patterns that encapsulate and influence morphodynamic processes and ecosystem services. Accurately characterizing these patterns is challenging with traditional curvature-based algorithms. Here, in this study, we present WigglyRivers, a Python package that builds on existing wavelet-based methods to create an unsupervised meander identification and characterization tool. The package uses planimetric information the user provides or from the USGS’s High-Resolution National Hydrography Dataset to characterize individual reaches or entire river networks. WigglyRivers also includes a supervised river identification tool for manually selecting individual meandering features. Here, we provide examples of idealized river transects and show the capabilities of WigglyRivers. We also use the supervised identification tool to validate the unsupervised identification on river transects across the continental US. WigglyRivers is a tool to understand better the multiscale characteristics of river networks and the link between river geomorphology and river corridor connectivity.

54 ENVIRONMENTAL SCIENCES↗

Exploring the impact of nucleotide length on lipid nanoparticle structure and properties

Lipid nanoparticles (LNPs) are versatile carriers for nucleic acid (NA) therapeutics, including ASOs, siRNA, mRNA, and poly-IC. While lipid composition is known to influence LNP properties, the impact of NA length on morphology and internal structure is less understood, particularly during the stages of carrier–cargo assembly. Here, we examine NA length and lipid composition immediately after mixing using high-throughput SAXS, dynamic light scattering, and cryogenic electron microscopy. All LNPs form ordered NA/lipid compartments, with longer NAs promoting inverse hexagonal (H II ) phases and larger intercompartment distances. In contrast, short NAs, especially in formulations with SM102 ionizable lipid, favor lamellar phases. SAXS peak deconvolution quantifies ordered versus disordered phases via a Robustness of Ordered Phase factor, which correlates with particle size and encapsulation efficiency. Formulations with MC3 ionizable and DOPE helper lipids exhibit the most stable H II -phase packing, highlighting the role of helper-lipid curvature in compartment stabilization. Variations in NA compartmentalization indicate differences in payload capacity, offering a framework for rational LNP design across diverse nucleic acid cargos.

60 APPLIED LIFE SCIENCES↗

Efficient screening of rare large pit anomalies on polished surfaces using a minimalist sampling scheme

Lawrence Livermore National Laboratory (LLNL) has made significant strides in generating clean energy through its inertial confinement fusion (ICF) experiments. These experiments rely on high-density carbon (HDC) coated shells to encapsulate the fusion fuel. The success of these experiments is heavily dependent on the surface quality of these shells, as even minor imperfections, such as deep pits, can negatively impact fusion yield. Ensuring the required smoothness involves an extensive surface-finishing process that spans approximately 20 stages, making it both time-intensive and resource-demanding. A critical challenge in this process is the need for high-resolution scans to detect rare deep pits, which can be costly and impractical if performed on every shell. This highlights the necessity of developing more efficient scanning methods to optimize time and cost without compromising accuracy. To address these challenges, we introduce a novel approach that employs the multivariate Dvoretzky–Kiefer–Wolfowitz (DKW) inequality to provide a probabilistic upper bound on the error in estimating pit distribution characteristics via a Kernel Density Estimator (KDE). This error bound enables efficient and reliable estimation of pit distribution characteristics at a specified statistical confidence level using a minimal number of surface scans. The integrated DKW-KDE approach was validated through surface-finishing experiments across two batches of HDC-coated shells, demonstrating consistent and robust performance across multiple stages of the surface-finishing experiments. The validation studies suggest that the integrated DKW-KDE approach achieves comparable accuracy in estimating the risk of deleterious large pits with six scans, thus conserving time and resources. Further evaluations show that performance remains consistent across batches and over multiple polishing stages. In conclusion, based on these findings, one can leverage the minimal-scan insights to strategically improve the bottleneck inspection process, thus enhancing the productivity and quality of shell polishing and similar challenging manufacturing processes.

Inertial confinement fusion↗

A finite viscoelastic constitutive model for low to high strain rate response of elastomers with application of strain rate-induced glass transition

Amorphous elastomers exhibit significant rate-stiffening and unique viscous flow characteristics across a wide range of strain rates, often undergoing glass transition above a strain rate threshold. We have developed a thermodynamically-consistent and micromechanically-inspired constitutive model for soft elastomeric materials to capture the rate-dependent stress-strain behavior and hysteresis when subjected to low to high strain rates. Here, our proposed constitutive model encapsulates the viscous flow of materials through molecular motion at low strain rates and local rearrangement and alignment of the molecules trying to overcome the intermolecular resistance at high strain rates, essentially covering the glass transition. We applied our constitutive model to uniaxial compression experiments performed at low and high strain rates for polyborosiloxane (PBS) to identify the material parameters, and subsequently, performed numerical simulations of single and multi-cycle compression, stress relaxation, and small amplitude oscillatory tension-compression. Our analyses indicate that the model predicts higher total energy dissipation with increasing strain rate; however, dissipation associated with molecular relaxation decreases (forming a cusp) because, beyond a crossover strain rate, intermolecular rearrangement and alignment become dominant, which is consistent with the onset of the glass transition. For cyclic loading-unloading, we observed that dissipation over a cycle remains constant at low strain rates but decreases non-monotonically at high strain rates before becoming constant, with the peak stress over the cycle becoming higher, which can be interpreted as more loading being carried elastically by the polymer network as the intermolecular rearrangement process occurs. Additionally, our model was able to predict the qualitative nature of the storage modulus and loss modulus in the limit of small strain over a wide range of frequency sweeps.

36 MATERIALS SCIENCE↗

Development of the technological process for the IGR reactor's highly-enriched irradiated uranium-graphite fuel immobilization

The immobilization of irradiated highly enriched uranium (HEU) fuel is a critical component of nuclear waste management and non-proliferation efforts. In Kazakhstan, at National Nuclear Center of the Republic of Kazakhstan special attention is given to managing legacy HEU fuel from research reactors. One such case involves the IGR research reactor, whose first core containing irradiated HEU uranium-graphite fuel was operated from 1961 to 1966 and removed following reactor modernization. This fuel now requires a reliable and secure immobilization strategy. Here, this paper presents the development of a technological process for immobilizing this fuel to reduce its enrichment to below 20 % in terms of 235U content. The proposed method involves down-blending irradiated HEU fuel with depleted uranium, followed by encapsulation in a Portland cement matrix. Full-scale experiments were conducted to assess the uniformity of uranium distribution within the matrix. The results confirm the effectiveness of this approach, ensuring reliable immobilization of fuel in accordance with international requirements, including IAEA standards and Kazakhstan's regulatory framework. These findings contribute to the broader effort of adapting immobilization strategies for the safe management of spent fuel from research reactors.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗