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NASA NTRS2019

The MERiT Onboard the CeREs: A Novel Instrument to Study Energetic Particles in the Earth's Radiation Belts

The Miniaturized Electron pRoton Telescope, MERiT, is a low‐mass, low‐power, compact instrument using an innovative combination of particle detectors, sensor electronics, and onboard processing. MERiT is flying on the Compact Radiation belt Explorer, CeREs, a 3U CubeSat launched into a low earth orbit of 500‐km altitude and inclination of 85° on 16 December 2018. The primary and secondary science goals of CeREs are to investigate electron microbursts and to study solar particles. MERiT comprises a stack of solid state detectors (SSD) behind space facing avalanche photo diodes (APDs) surrounded by W‐Al shielding to reduce side‐penetrating particle background. The APD‐SSD combination enables measurement of electrons from 5 to 200 keV and 1 to 8 MeV; protons from 200–400 keV and 7–100 MeV in differential channels with energy resolution ΔE/E≈30% for both electrons and protons. MERiT measures microbursts with a high time resolution ranging from 4 to 16 ms and solar particles with a cadence of 1 s. MERiT energy channels and cadences are software configurable via algorithms and lookup tables residing on a field‐programmable gate array. The lookup tables can be changed via ground commands. MERiT geometry factor is 31 sq.cm‐sr and optimized to measure microbursts with the instrument viewing the local zenith in orbit. MERiT enables investigation of dynamical processes of radiation belt electron energization and loss, solar electron and proton transport, and their access to the Earth's polar caps. We describe the MERiT sensor design, calibration, operational modes, data products, and science goals.

Kanekal, S. G.↗
NASA NTRS1998

Measurement of heat conduction through stacked screens

This paper describes the experimental apparatus for the measurement of heat conduction through stacked screens as well as some experimental results taken with the apparatus. Screens are stacked in a fiberglass-epoxy cylinder, which is 24.4 mm in diameter and 55 mm in length. The cold end of the stacked screens is cooled by a Gifford-McMahon (GM) cryocooler at cryogenic temperature, and the hot end is maintained at room temperature. Heat conduction through the screens is determined from the temperature gradient in a calibrated heat flow sensor mounted between the cold end of the stacked screens and the GM cryocooler. The samples used for these experiments consisted of 400-mesh stainless steel screens, 400-mesh phosphor bronze screens, and two different porosities of 325-mesh stainless steel screens. The wire diameter of the 400-mesh stainless steel and phosphor bronze screens was 25.4 micrometers and the 325-mesh stainless steel screen wire diameters were 22.9 micrometers and 27.9 micrometers. Standard porosity values were used for the experimental data with additional porosity values used on selected experiments. The experimental results showed that the helium gas between each screen enhanced the heat conduction through the stacked screens by several orders of magnitude compared to that in vacuum. The conduction degradation factor is the ratio of actual heat conduction to the heat conduction where the regenerator material is assumed to be a solid rod of the same cross sectional area as the metal fraction of the screen. This factor was about 0.1 for the stainless steel and 0.022 for the phosphor bronze, and almost constant for the temperature range of 40 to 80 K at the cold end.

NASA Discipline Environmental Health↗
NASA NTRSDate not supplied

MOC Automation with GMSEC and the Generic Extendable Message Utility (GEMU)

Automation has become critical for ground systems, improving efficiency and reliability while reducing costs across mission operations. The Goddard Mission Services Evolution Center (GMSEC) software suite has played a significant role in enabling this automation, leveraging its publish/subscribe paradigm through a message bus architecture to facilitate seamless communication and data flow. Historically, the GMSEC suite, through components like Criteria Action Table (CAT) has been pivotal in automating ground system capabilities. However, as technology advances, limitations in automation with CAT have emerged, creating an opportunity to enhance ground system automation through the introduction of GEMU. This new GMSEC component brings new capabilities and addresses specific automation constraints that CAT could not overcome, allowing for more sophisticated, flexible, and efficient message processing. GEMU, at its core, is designed to accelerate the development of custom GMSEC-compliant applications. It enables users to construct automated message processing pipelines quickly, supporting both drag-and-drop web-based configuration and scripting through a simple domain-specific language. This advancement not only simplifies the process but also reduces the time needed for implementing automated solutions. This presentation will outline GEMU’s potential value in improving mission operations automation. It will highlight the benefits of transitioning from CAT to GEMU and offer insights into how GEMU can drive operational efficiencies. We will also provide an overview of the automation capabilities of GEMU and its potential impact on mission operations centers (MOCs).

GMSEC↗
DOE OSTI2022

A novel hardmask-to-substrate pattern transfer method for creating 3D, multi-level, hierarchical, high aspect-ratio structures for applications in microfluidics and cooling technologies

Abstract This letter solves a major hurdle that mars photolithography-based fabrication of micro-mesoscale structures in silicon. Conventional photolithography is usually performed on smooth, flat wafer surfaces to lay a 2D design and subsequently etch it to create single-level features. It is, however, unable to process non-flat surfaces or already etched wafers and create more than one level in the structure. In this study, we have described a novel cleanroom-based process flow that allows for easy creation of such multi-level, hierarchical 3D structures in a substrate. This is achieved by introducing an ultra-thin sacrificial silicon dioxide hardmask layer on the substrate which is first 3D patterned via multiple rounds of lithography. This 3D pattern is then scaled vertically by a factor of 200–300 and transferred to the substrate underneath via a single shot deep etching step. The proposed method is also easily characterizable—using features of different topographies and dimensions, the etch rates and selectivities were quantified; this characterization information was later used while fabricating specific target structures. Furthermore, this study comprehensively compares the novel pattern transfer technique to already existing methods of creating multi-level structures, like grayscale lithography and chip stacking. The proposed process was found to be cheaper, faster, and easier to standardize compared to other methods—this made the overall process more reliable and repeatable. We hope it will encourage more research into hybrid structures that hold the key to dramatic performance improvements in several micro-mesoscale devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

Fuel Cells for Space Science Applications

Fuel cell technology has been receiving more attention recently as a possible alternative to the internal combustion engine for our automobile. Improvements in fuel cell designs as well as improvements in lightweight high-pressure gas storage tank technology make fuel cell technology worth a look to see if fuel cells can play a more expanded role in space missions. This study looks at the specific weight density and specific volume density of potential fuel cell systems as an alternative to primary and secondary batteries that have traditionally been used for space missions. This preliminary study indicates that fuel cell systems have the potential for energy densities of greater than 500 W-hr/kg, greater than 500W/kg and greater than 400 W-hr/liter, greater than 200 W/liter. This level of performance makes fuel cells attractive as high-power density, high-energy density sources for space science probes, planetary rovers and other payloads. The power requirements for these space missions are, in general, much lower than the power levels where fuel cells have been used in the past. Adaptation of fuel cells for space science missions will require down-sizing the fuel cell stack and making the fuel cell operate without significant amounts of ancillary equipment.

Burke, Kenneth A.↗
DOE OSTI2024

Scalable Graphene Oxide Hollow Fiber Membranes for Dye Desalination Enabled by Multi‐Purpose Polyamine Functionalization

2D nanosheets such as graphene oxide (GO) can be stacked to construct membranes with fine-tuned nanochannels to achieve molecular sieving ability. These membranes are often thin to achieve high water permeance, but their fabrication with consistent nanostructures on a large scale presents an enormous challenge. Herein, GO-based hollow fiber membranes (HFMs) are developed for dye desalination by synergistically combining chemical etching to form in-plane nanopores (10–30 nm) to increase water permeance and polyamine functionalization to improve underwater stability and enable facile large-scale production using existing membrane manufacturing processes. HFM modules with areas of 88 cm 2 and GO layer thicknesses of ≈500 nm are fabricated, and they exhibited a stable dye water permeance of 75 L m −2 h −1 bar −1 , rejection of >99.5% for Direct red and Congo red, and Na 2 SO 4 /dye separation factor of 300–500, superior to state-of-the-art commercial membranes. Furthermore, the versatility of this approach is also demonstrated using different short polyamines and porous substrates. This study reveals a scalable way of designing 2D materials into high-performance robust membranes for practical applications.

amine functionalization↗
DOE OSTI2024

A Full-Stack Exploration of Language-Based Parallelism in Fortran 2023

This poster explores native parallel features in Fortran 2023 through the lens of supporting applications with libraries, compilers, and parallel runtimes. The language revision informally named Fortran 2008 introduced parallelism in the form of Single Program Multiple Data (SPMD) execution with two broad feature sets: (1) loop-level parallelism via do concurrent and (2) a Partitioned Global Address Space (PGAS) comprised of distributed “coarray” data structures. Fortran’s native parallelism has demonstrated high performance [1] and reduced the burden of inserting what sometimes amounts to more directives than code. Several compilers support both feature sets, typically by translating do concurrent into serial do loops annotated by parallel directives and by translating SPMD/PGAS features into direct calls to a communication library. Our research focuses primarily on two questions: (1) can the compiler’s parallel runtime library be developed in the language being compiled (Fortran) and (2) can we define an interface to the runtime that liberates compilers from being hardwired to one runtime and vice versa. We are answering these questions by developing the Parallel Runtime Interface for Fortran (PRIF) [2] and the Co-Array Fortran Framework of Efficient Interfaces to Network Environments (Caffeine) [3]. Caffeine is initially targeting adoption by LLVM Flang, a new open-source Fortran compiler developed by a broad community in industry, academia, and government labs. We are also exploring the use of these features in Inference-Engine, a deep learning library designed to facilitate neural network training and inference for high-performance computing applications written in modern Fortran.

Rasmussen, Katherine↗
NASA NTRS1994

Petabyte mass memory system using the Newell Opticel(TM)

A random access system is proposed for digital storage and retrieval of up to a Petabyte of user data. The system is comprised of stacked memory modules using laser heads writing to an optical medium, in a new shirt-pocket-sized optical storage device called the Opticel. The Opticel described is a completely sealed 'black box' in which an optical medium is accelerated and driven at very high rates to accommodate the desired transfer rates, yet in such a manner that wear is virtually eliminated. It essentially emulates a disk, but with storage area up to several orders of magnitude higher. Access time to the first bit can range from a few milliseconds to a fraction of a second, with time to the last bit within a fraction of a second to a few seconds. The actual times are dependent on the capacity of each Opticel, which ranges from 72 Gigabytes to 1.25 Terabytes. Data transfer rate is limited strictly by the head and electronics, and is 15 Megabits per second in the first version. Independent parallel write/read access to each Opticel is provided using dedicated drives and heads. A Petabyte based on the present Opticel and drive design would occupy 120 cubic feet on a footprint of 45 square feet; with further development, it could occupy as little as 9 cubic feet.

Newell, Chester W.↗
NASA NTRS2010

Performance and Safety Tests of Lithium-Ion Cells Arranged in a Matrix Design Configuration

Matrix Packs display large variations in cell bank voltages at the charge and discharge current (C/2) used in this test program. The voltage difference is larger at the end of discharge than at the end of charge under the conditions studied. Disconnection of a cell from the pack leads to a larger voltage difference during discharge (greater than 2.0 V) between the bank that has one less cell and the other banks. Thermal profile does not show any significant changes or increase in temperature after one cell was disconnected from the bank in spite of falling to very low voltages at the end of discharge. All tests on the matrix pack with the HAM displayed lower max in general due to the placement of thermocouple on the outside of the HAM rather than on the cells. Disconnection of cells has almost no influence on the performance of the packs and does not show any abnormal thermal changes for the 100 cycles obtained in this test program. Longer cycle life may influence the performance especially if the low voltage cell goes into reversal. Overcharge leads to CID activation of cells. If the matrix configuration has a larger number of cells in series, (more than 5 S configuration), the limitations of protective devices may manifest itself irrespective of it being in a matrix configuration. External short circuit causes a fire with expulsion of content from some cells. The fire does not propagate itself laterally, but if there was cell module stacking, then the fire would cause the cells above it to also go into flames/thermal runaway. Limitations of protective devices are observed in this case as the PTCs in the cells did not protect under this abusive condition. Matrix configurations seem to provide protection against lateral propagation of fire and flame. Matrix pack configuration seems to provide good performance in spite of losing cell connections; at least for the configuration tested under this program.

Jeevarajan, Judith↗
NASA NTRS2011

NASA Tech Briefs, January 2011

The topics include: 1) Distributed Aerodynamic Sensing and Processing Toolbox; 2) Collaborative Supervised Learning for Sensor Networks; 3) Hazard Detection Software for Lunar Landing; 4) Onboard Nonlinear Engine Sensor and Component Fault Diagnosis and Isolation Scheme; 5) Network-Capable Application Process and Wireless Intelligent Sensors for ISHM; 6) Interface Supports Multiple Broadcast Transceivers for Flight Applications; 7) FPGA Sequencer for Radar Altimeter Applications; 8) Miniature Sapphire Acoustic Resonator - MSAR; 9) Process-Hardened, Multi-Analyte Sensor for Characterizing Rocket Plume Constituents; 10) SAD5 Stereo Correlation Line-Striping in an FPGA; 11) Hybrid Composite Cryogenic Tank Structure; 12) Nanoscale Deformable Optics; 13) Reliability-Based Design Optimization of a Composite Airframe Component; 14) Zinc Oxide Nanowire Interphase for Enhanced Lightweight Polymer Fiber Composites; 15) Plasma Igniter for Reliable Ignition of Combustion in Rocket Engines; 16) Wire Test Grip Fixture; 17) A Sub-Hertz, Low-Frequency Vibration Isolation Platform; 18) Carbon Nanofibers Synthesized on Selective Substrates for Nonvolatile Memory and 3D Electronics; 19) Nanoparticle/Polymer Nanocomposite Bond Coat or Coating; 20) High-Resolution Wind Measurements for Offshore Wind Energy Development; 21) Spring Tire; 22) Marsviewer 2008; 23) Mission Services Evolution Center Message Bus; 24) Major Constituents Analysis for the Vehicle Cabin Atmosphere Monitor; 25) Astronaut Health Participant Summary Application; 26) Adaption of the AMDIS Method to Flight Status on the VCAM Instrument; 27) Natural Language Interface for Safety Certification of Safety-Critical Software; 28) Cryogenic Caging for Science Instrumentation; 29) Wide-Range Neutron Detector for Space Nuclear Applications; 30) In Situ Guided Wave Structural Health Monitoring System; 31) Multiplexed Energy Coupler for Rotating Equipment; 32) Attitude Estimation in Fractionated Spacecraft Cluster Systems; 33) Full Piezoelectric Multilayer-Stacked Hybrid Actuation/Transduction Systems; 34) Active Flow Effectors for Noise and Separation Control; 35) Method and System for Temporal Filtering in Video Compression Systems; 36) Apparatus for Measuring Total Emissivity of Small, Low-Emissivity Samples; 37) Multiple-Zone Diffractive Optic Element for Laser Ranging Applications; 38) Simplified Architecture for Precise Aiming of a Deep-Space Communication Laser Transceiver; 39) Two-Photon-Absorption Scheme for Optical Beam Tracking; 40) High-Sensitivity, Broad-Range Vacuum Gauge Using Nanotubes for Micromachined Cavities; 41) Wide-Field Optic for Autonomous Acquisition of Laser Link; 42) Extracting Zero-Gravity Surface Figure of a Mirror; 43) Modeling Electromagnetic Scattering From Complex Inhomogeneous Objects; 44) Visual Object Recognition and Tracking of Tools; 45) Method for Implementing Optical Phase Adjustment; 46) Visual SLAM Using Variance Grid Maps; 47) Rapid Calculation of Spacecraft Trajectories Using Efficient Taylor Series Integration; 48) Efficient Kriging Algorithms; 49) Predicting Spacecraft Trajectories by the WeavEncke Method; 50) An Augmentation of G-Guidance Algorithms; 51) Comparison of Aircraft Icing Growth Assessment Software; 52) Silicon-Germanium Voltage-Controlled Oscillator at 105 GHz; 53) Estimation of Coriolis Force and Torque Acting on Ares-1; 54) Null Lens Assembly for X-Ray Mirror Segments; and 55) High-Precision Pulse Generator.

Source record↗
NASA NTRS2011

Turbulence Modeling for Shock Wave/Turbulent Boundary Layer Interactions

Accurate aerodynamic computational predictions are essential for the safety of space vehicles, but these computations are of limited accuracy when large pressure gradients are present in the flow. The goal of the current project is to improve the state of compressible turbulence modeling for high speed flows with shock wave / turbulent boundary layer interactions (SWTBLI). Emphasis will be placed on models that can accurately predict the separated region caused by the SWTBLI. These flows are classified as nonequilibrium boundary layers because of the very large and variable adverse pressure gradients caused by the shock waves. The lag model was designed to model these nonequilibrium flows by incorporating history effects. Standard one- and two-equation models (Spalart Allmaras and SST) and the lag model will be run and compared to a new lag model. This new model, the Reynolds stress tensor lag model (lagRST), will be assessed against multiple wind tunnel tests and correlations. The basis of the lag and lagRST models are to preserve the accuracy of the standard turbulence models in equilibrium turbulence, when the Reynolds stresses are linearly related to the mean strain rates, but create a lag between mean strain rate effects and turbulence when nonequilibrium effects become important, such as in large pressure gradients. The affect this lag has on the results for SWBLI and massively separated flows will be determined. These computations will be done with a modified version of the OVERFLOW code. This code solves the RANS equations on overset grids. It was used for this study for its ability to input very complex geometries into the flow solver, such as the Space Shuttle in the full stack configuration. The model was successfully implemented within two versions of the OVERFLOW code. Results show a substantial improvement over the baseline models for transonic separated flows. The results are mixed for the SWBLI assessed. Separation predictions are not as good as the baseline models, but the over prediction of the peak heat flux downstream of the reattachment shock that plagues many models is reduced.

Lillard, Randolph P.↗
DOE OSTI2021

Design of a Single-Ion Conducting Polymer Electrolyte for Sodium-Ion Batteries

Here, a sodium bis(fluoroallyl)malonato borate salt (NaBFMB) is synthesized. Using a Click thiol-ene reaction, NaBFMB can be photo-crosslinked with a tri-thiol (trimethylolpropane tris(3-mercapto propionate), TMPT) to create a single-ion conducting electrolyte (NaSIE), with all negative charges residing on the borate moieties and anions immobilized through the 3-D crosslinked network. The NaSIE can be prepared either as a free-standing film or through a drop-cast method followed by a photo crosslinking method for an in-situ formation on top of the electrodes. The free-standing film of NaSIE has a high ionic conductivity of 2 × 10 –3 S cm –1 at 30 °C, and a high transference number (t Na + ) of 0.91 as measured through the Bruce-Vincent method. The electrochemical stability of NaSIE polymer electrolyte is demonstrated via cyclic voltammetry (CV) to be stable up to 5 V vs Na/Na + . When tested inside a symmetrical Na//Na cell, the NaSIE shows a critical current density (CCD) of 0.4 mA cm –2 . The stability of NaSIE is further demonstrated via a long cycling of the stripping/plating test with a current density of 0.1 mA cm –2 at five-minute intervals for over 10,000 min. Using the in-situ method, NaSIE is used as the electrolyte for a sodium metal battery using P2 (Na resides at prismatic sites with with ABBAAB stacking)-cathode of Na 0.67 Ni 0.33 Mn 0.67 O 2 (NNMO) and is cycled between the cut-off voltages of 2.0–4.0 V. A high initial specific capacity (85.7 mAh g –1 ) with a capacity retention of 86.79% after 150 cycles is obtained.

25 ENERGY STORAGE↗
NASA NTRS2001

Effects of Traveling Magnetic Field on Dynamics of Solidification

TMF is based on imposing a controlled phase-shift in a train of electromagnets, forming a stack. Thus, the induced magnetic field can be considered to be travelling along the axis of the stack. The coupling of this traveling wave with an electrically conducting fluid results in a basic flow in a form of a single axisymmetric roll. The magnitude and direction of this flow can be remotely controlled. Furthermore, it is possible to localize the effect of this force field though activating only a number of the magnets. This force field generated in the fluid can, in principle, be used to control and modify convection in the molten material. For example, it can be used to enhance convective mixing in the melt, and thereby modify the interface shape, and macrosegregation. Alternatively, it can be used to counteract thermal and/or solutal buoyancy forces. High frequency TMF can be used in containerless processing techniques, such as float zoning, to affect the very edge of the fluid so that Marangoni flow can be counter balanced. The proposed program consists of basic fundamentals and applications. Our goal in conducting the following experiments and analyses is to establish the validity of TMF as a new tool for solidification processes. Due to its low power consumption and simplicity of design, this tool may find wide spread use in a variety of space experiments. The proposed ground based experiments are intended to establish the advantages and limitations of employing this technique. In the fundamentals component of the proposed program, we will use theoretical tools and experiments with mercury to establish the fundamental aspects of TMF-induced convection through a detailed comparison of theoretical predictions and experimental measurements of flow field. In this work, we will conduct a detailed parametric study involving the effects of magnetic field strength, frequency, wave vector, and the fluid geometry. The applications component of this work will be focused on investigating the effect of TMF on the following solidification and pre-directional solidification processes: (1) Bridgman growth of Ga:Ge with the goal of counteracting the buoyancy-driven convection; (2) Mixing of Pb-Ga and Pb-Sn alloys with the aim of initiating and maintaining a uniform melt prior to solidification processing; and (3) Float Zone growth with the aim of identifying, through simulations and model experiments, conditions needed to counteract Marangoni flow in a microgravity environment. The proposed research has strong relevance to microgravity research and the objectives of the NRA. TMF can provide a unique and accurate mechanism for generation and control of desirable flow patterns for microgravity research. These attributes have significant relevance to 1) Alloy mixing prior to solidification in a microgravity environment. TMF can provide this mixing with a low level of power consumption; (2) TMF can offset the deleterious effects of Marangoni convection in microgravity containerless processing. Thus, TMF can be instrumental in further understanding this phenomena; (3) Generation of controlled flows will allow the investigation of the effect of these flows on growth morphology and growth kinetics; and (4) On Earth, TMF has the potential to significantly counter-balance thermosolutal convection, thereby creating conditions similar to those obtained in microgravity. Once demonstrated, this new tool for use in solidification has the strong potential to find applications in a host of microgravity material research projects.

Mazuruk, Konstantin↗
DOE OSTI2022

NorthStar Facility Target Fab and Flow Testing - FY 21

The facility target fabrication and flow testing activity will consist of flow tests using the blower system at LANL to test the disk holder and target, both redesigned by the NorthStar prime contractor. The housing and transition system delivering helium cooling to the disc holder and target will be fabricated and tested at LANL facilities. The tests will include pressure drop versus flow measurements through the target and housing, optical flow diagnostics and fiber optic imaging of the disc stack. The pressure drop measurements will be compared to CFD simulations to verify the latter, the optical flow diagnostics will be used to determine whether modifications made to the housing and target holder allow sufficient flow through the bottom of the housing to adequately cool it and the fiber optics will be used to image the discs during operation as a proof of concept of the diagnostic, to be used at NorthStar facilities during preproduction testing. The work is a Partial Fulfillment of the Deliverable Requirement for NorthStar Facility Target Fab and Flow Testing and Production Target Testing Support by LANL

42 ENGINEERING↗
DOE OSTI2024

Fundamentals of Scalable Nanoparticle Assembly in Engineering Polymres

Systematically improving the properties of polymer nanocomposites is contingent on effectively controlling nanoparticle (NP) dispersion; further, it is necessary to attain this at scale if these methods are to impact practical applications. While most past work has focused on amorphous polymers, ≈ 70% of all polymers sold annually are semicrystalline. Inspired by this apparent disconnect, our work in the current DOE funded grant and this renewal proposal employs a novel handle, polymer crystallization, to organize NPs into the various amorphous zones of the lamellar semicrystalline morphology (interlamellar, interfibrillar and interspherulitic domains) of stereoregular polymers. We hypothesize that the isothermal crystallization rate of a polymer host, G, and NP diffusivity, are the two relevant control parameters in this context. In the case where the NPs are miscible in the melt, they remain spatially well-dispersed when the polymer is crystallized at a rate that is fast relative to NP diffusion. In contrast, monolayer-thick NP sheets with intersheet spacing of ~10-100nm form in slowly crystallized samples. This sheet stacking is remarkably similar to that seen in natural materials, e.g., Nacre. There is also ordering of the NPs at the larger interfibrillar scale. Importantly, the relative fraction of engulfed, interlamellar and interfibrillar NPs is determined by G. Further, the modulus of these materials can increase by a factor of 2-3 due to the organization state of the NPs, while leaving fracture toughness unaffected. We have established the broad applicability of this approach in two polymers, polyethylene (PE) and polyethyleneoxide (PEO). To achieve this goal we developed a method for grafting long PE chains from NPs with controlled graft density and molecular weight, giving us the ability to tailor their dispersion in the PE melt prior to crystallization. In this renewal proposal, we will develop the fundamental, quantitative understanding that will allow us to independently tailor polymer crystallization rate, NP diffusivity and NP agglomeration state in semicrystalline polymers so as to facilely control NP ordering and hence properties. A program that tightly integrates experiment and theory is proposed, and a key outcome of this research will be a three-dimensional design map for different regimes of NP organization (and hence properties) that can be achieved by polymer crystallization. A second independent outcome is the role of directional solidification and how it competes with the rates of polymer crystallization and NP mobility to affect the organization of the NP.

36 MATERIALS SCIENCE↗
DOE OSTI2026

HDG-1 Experiment Irradiation Monitoring Data Qualification Final Report

SUMMARY The U.S. Department of Energy (DOE) Advanced Reactor Technologies (ART) Graphite Research and Development (GRD) Program is conducting a series of six experiments to quantify the effects of irradiation on nuclear-grade graphite. This report documents the qualification of irradiation monitoring data for the fifth experiment, High Dose Graphite-1 (HDG-1). Qualified monitoring data are required by the ART program to support the design and licensing of the first high-temperature reactor (HTR) nuclear plant. Data are classified as Qualified if they meet the usage requirements described in the experiment planning and quality assurance (QA) documents, Failed if they do not meet those requirements and provide no usable information, or Trend if they do not fully meet all requirements but still provide useful information subject to an assessment of how any deficiencies may affect a particular use of the data. HDG-1 irradiation began with Advanced Test Reactor (ATR) Cycle 168B on August 24, 2020, and concluded after Cycle 173C on January 27, 2025. The HDG-1 capsule was removed from the reactor core twice—during core internal change (CIC) Cycle 170A and powered axial locator mechanism (PALM) Cycle 172A—to prevent overheating of the graphite specimens during high-power PALM cycles. The capsule was therefore irradiated during a total of seven normal ATR cycles: 168B, 169A, 171A, 171B, 173A, 173B, and 173C. Irradiation monitoring data evaluated in this report include thermocouple (TC) temperature, gas flow rate, gas moisture, gas pressure, specimen load, and graphite stack displacement. Temperature. A total of 14,508,065 TC temperature records were captured. Of these, 13,901,785 (95.8%) are Qualified and 606,280 (4.2%) are Failed. The principal source of failed temperature data was the instrument failure of TC-9 (Zone 2) on June 24, 2024, and TC-10 (Zone 1) on July 5, 2024, near the end of Cycle 173A, which resulted in 595,554 Failed readings. An additional 379 missing values and 10,347 slightly negative values from TC-13 during ATR outages are also Failed. Neither TC-9 nor TC-10 was used as a temperature-control TC, and their failures did not compromise capsule condition monitoring. Correlation analysis of all 13 TCs found no evidence of virtual junction formation. Control chart analysis revealed clear downward drift of approximately 80°C for TC-6 (Zone 3) relative to other stable TCs, and possible downward drift of approximately 60°C for TC-13 relative to the Zone 5 control TC (TC-1), though TC-13 remained consistent with the Zone 2 control TC (TC-12). Gas flow. A total of 20,088,090 gas flow rate records were captured. Of these, 19,941,463 (99.3%) are Qualified and 146,627 (0.7%) are Failed due to missing values. All argon, helium, and total gas flow data were within expected ranges throughout the irradiation. Gas moisture. A total of 1,116,005 outlet gas moisture values were captured. Of these, 1,101,421 (98.7%) are Qualified and 14,584 (1.3%) are Failed, comprising 14,556 out-of-range values and 28 missing values. The out-of-range moisture values exceeded 22,000 ppmv for approximately 1 week at the beginning of Cycle 173A, when accumulated moisture evaporated after the capsule was retrieved from water storage during PALM Cycle 172A and reinserted into the east flux trap. Moisture levels returned to below 25 ppmv for the remaining three cycles, and the transient high-moisture event did not affect the integrity of specimen irradiation. Gas pressure. A total of 7,812,035 gas pressure values were captured. Of these, 6,642,048 (85.0%) are Qualified and 1,169,987 (15.0%) outlet pressure values are Failed, comprising 718,537 zero outlet pressure values due to sensor failure from Cycle 168B through Cycle 171B, 54,550 missing values, and 396,900 too-low outlet pressure values, ranging from 1.1 to 1.6 psia after sensor replacement during Cycle 173A. Load. A total of 6,696,030 load values were captured. Of these, 6,694,580 (99.98%) are Qualified and 1,450 (0.02%) are Failed due to missing values. Applied loads to the six specimen stacks were stable throughout the irradiation. Stack displacement. A total of 6,696,030 displacement values were captured. Of these, 5,713,297 (85.32%) are Qualified and 3,781 (0.06%) are Failed due to missing values. Stack displacement increased consistently throughout the irradiation, reaching approximately 3.08 in. for Channels 5 and 6 by the end of irradiation. 978,952 (14.62%) substantially elevated displacements observed for Channel 6 beginning in Cycle 171A and for Channel 5 beginning in Cycle 173A are assigned Trend status. Raising pressure. A total of 1,115,999 raising pressure values were captured. Of these, 1,115,430 (99.95%) are Qualified and 569 (0.05%) are Failed due to missing values. Ram pressure. A total of 6,696,030 ram pressure values were captured. Of these, 6,692,249 (99.95%) are Qualified and 3,484 (0.05%) are Failed due to missing values. Stack raising was perf

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Tunable Electronic Energy Level Alignment and Exciton Diversity in Organic–Inorganic van der Waals Heterostructures

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic monolayers, incorporating molecular monolayers introduces additional degrees of tunability and functionality. Here, in this study, we investigate hybrid bilayers composed of atomically thin perylene-based molecular crystals interfaced with monolayer transition metal dichalcogenides (TMDs), specifically MoS 2 and WS 2 . Using the ab initio many-body perturbation theory within the GW approximation and the Bethe-Salpeter equation approach, we predict emergent properties beyond those of the isolated constituent systems. Notably, we find substantial renormalization of monolayer molecular crystal band gap due to TMD-induced polarization. Furthermore, by varying the TMD monolayer, we demonstrate tuning of the energy level alignment of the bilayer and subsequent control over a diversity of lowest-energy excitons, which include strongly bound hybrid excitons and long-lived charge-transfer excitons. These findings establish organic-inorganic van der Waals heterostructures as a promising class of materials for tunable optoelectronic devices and quantum excitonic phenomena, expanding the design space for low-dimensional systems.

GW-BSE calculations↗
DOE OSTI2025

Formate-Induced Dissolution and Reprecipitation of a Copper Electrocatalyst during Electrochemical CO 2 Reduction Reaction

Catalyst size, morphology, and crystal structure play crucial roles in determining the activity and selectivity of electrochemical CO 2 reduction reactions, which are known to change during the reaction process. A comprehensive understanding of how, when, and why these parameters evolve under operational conditions is essential for developing stable, efficient, and selective catalysts. In this study, we reveal that formate, one of the reaction products, contributes to the degradation of copper catalysts through a ligand-assisted dissolution mechanism. Utilizing in situ electrochemical atomic force microscopy and ex-situ scanning and transmission electron microscopies, we observed a significant reduction in the size of copper nanoparticles, which decreased from over 30 nm to less than 10 nm in diameter within 60 min of CO 2 RR. The temporal production of formate correlated with the particle size changes. Furthermore, analysis of the electrolyte using inductively coupled plasma optical emission spectroscopy confirmed the dissolution of copper nanoparticles. Control experiments involving various reaction products (H 2 , CO, and HCOO – ) demonstrated that formate significantly promotes copper dissolution, thereby highlighting its role in the ligand-assisted dissolution mechanism of copper electrocatalysts. In conclusion, our findings provide critical insights into copper catalyst behavior during electrochemical CO 2 reduction, facilitating the design of more resilient and effective electrocatalysts.

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