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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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Convergence acceleration of Monte Carlo many-body perturbation methods by direct sampling

In the Monte Carlo many-body perturbation (MC-MP) method, the conventional correlation-correction formula, which is a long sum of products of low-dimensional integrals, is first recast into a short sum of high-dimensional integrals over electron-pair and imaginary-time coordinates. These high-dimensional integrals are then evaluated by the Monte Carlo method with random coordinates generated by the Metropolis–Hasting algorithm according to a suitable distribution. The latter algorithm, while advantageous in its ability to sample nearly any distribution, introduces autocorrelation in sampled coordinates, which in turn increases the statistical uncertainty of the integrals and thus the computational cost. It also involves wasteful rejected moves and an initial “burn-in” step as well as displays hysteresis. Here, an algorithm is proposed that directly produces a random sequence of electron-pair coordinates for the same distribution used in the MC-MP method, which is free from autocorrelation, rejected moves, a burn-in step, or hysteresis. Furthermore, this direct-sampling algorithm is shown to accelerate second- (MC-MP2) and third-order Monte Carlo many-body perturbation (MC-MP3) calculations by up to 222% and 38%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data Analysis of X-ray Panels Used in X-ray CT Scientific Instruments

This report is a follow-up study on M. Skeate’s study on System Drift Detection for Health Monitoring (Skeate, 2023). The following report highlights analyses of the panel’s behavior with extended use. This includes effects of burn-in on the panel from over-use and bad pixels (defined in Methodology.) Using data-forward statistical analyses across a sequence of scans, and given that the other conditions present in the data can be replicated, this study show that overtime use of panels does not affect bad pixel count. Also, I present conclusive evidence of a direct relationship between the regions of the panel that are exposed to radiation and burn-in damage to that region overtime. Additionally, this study also highlights the effect of the duty cycle on the dark current change in the panel.

42 ENGINEERING↗

POTATO: A Unified Assessment System for HL-LHC Outer Tracker Module Productions

The CMS detector s silicon tracker will be replaced in preparation for the upcoming High-Luminosity LHC (HL LHC) upgrade. The inner tracker will include a new pixel detector while the outer tracker (OT) will feature 5,592 pixel strip (PS) and 7,608 strip strip (2S) sensor modules with production distributed across 7 sites worldwide, requiring standardized grading and testing. One testing apparatus the burn-in box replicates the temperature cycling conditions that successful modules must withstand. The Phase-II Outer Tracker Analyzer of Test Outputs (POTATO) standardizes module evaluation and grading among testing sites. Given burn-in box test output, POTATO analyzes the results and assigns a letter grade to a module and its sub-components. POTATO's grading process must adapt to evolving standards for module evaluation; hence, we detail work on POTATO's database and grading functionality that will facilitate the unified assessment of Phase-II OT module assembly and testing worldwide. Once completed, POTATO will allow technicians to interact with a database of all graded modules and efficiently assess the global module assembly effort.

Clark, Olivia J. [U. Tennessee, Knoxville]↗

Tethered Small-Molecule Acceptors Simultaneously Enhance the Efficiency and Stability of Polymer Solar Cells

For polymer solar cells (PSCs), the mixture of polymer donors and small-molecule acceptors (SMAs) is fine-tuned to realize a favorable kinetically trapped morphology and thus a commercially viable device efficiency. However, the thermodynamic relaxation of the mixed domains within the blend raises concerns related to the long-term operational stability of the devices, especially in the record-holding Y-series SMAs. Here, a new class of dimeric Y6-based SMAs tethered with differential flexible spacers is reported to regulate their aggregation and relaxation behavior. In their polymer blends with PM6, it is found that they favor an improved structural order relative to that of Y6 counterpart. Most importantly, the tethered SMAs show large glass transition temperatures to suppress the thermodynamic relaxation in mixed domains. For the high-performing dimeric blend, an unprecedented open circuit voltage of 0.87 V is realized with a conversion efficiency of 17.85%, while those of regular Y6-base devices only reach 0.84 V and 16.93%, respectively. Most importantly, the dimer-based device possesses substantially reduced burn-in efficiency loss, retaining more than 80% of the initial efficiency after operating at the maximum power point under continuous illumination for 700 h. In conclusion, the tethering approach provides a new direction to develop PSCs with high efficiency and excellent operating stability.

14 SOLAR ENERGY↗

The role of interfacial donor–acceptor percolation in efficient and stable all-polymer solar cells

Polymerization of Y6-type acceptor molecules leads to bulk-heterojunction organic solar cells with both high power-conversion efficiency and device stability, but the underlying mechanism remains unclear. Here we show that the exciton recombination dynamics of polymerized Y6-type acceptors (Y6-PAs) strongly depends on the degree of aggregation. While the fast exciton recombination rate in aggregated Y6-PA competes with electron-hole separation at the donor–acceptor (D–A) interface, the much-suppressed exciton recombination rate in dispersed Y6-PA is sufficient to allow efficient free charge generation. Indeed, our experimental results and theoretical simulations reveal that Y6-PAs have larger miscibility with the donor polymer than Y6-type small molecular acceptors, leading to D–A percolation that effectively prevents the formation of Y6-PA aggregates at the interface. Besides enabling high charge generation efficiency, the interfacial D–A percolation also improves the thermodynamic stability of the blend morphology, as evident by the reduced device “burn-in” loss upon solar illumination.

14 SOLAR ENERGY↗

Device and material investigations of GaN enhancement-mode transistors for Venus and harsh environments

This Letter reports the device and material investigations of enhancement-mode p-GaN-gate AlGaN/GaN high electron mobility transistors (HEMTs) for Venus exploration and other harsh environment applications. The GaN transistor in this work was subjected to prolonged exposure (11 days) in a simulated Venus environment (460 °C, 94 bar, complete chemical environment including CO2/N2/SO2). The mechanisms affecting the transistor performance and structural integrity in harsh environment were analyzed using a variety of experimental, simulation, and modeling techniques, including in situ electrical measurement (e.g., burn-in) and advanced microscopy (e.g., structural deformation). Through transistor, Transmission Line Method (TLM), and Hall-effect measurements vs temperature, it is revealed that the mobility decrease is the primary cause of reduction of on-state performance of this GaN transistor at high temperature. Material analysis of the device under test (DUT) confirmed the absence of foreign elements from the Venus atmosphere. No inter-diffusion of the elements (including the gate metal) was observed. The insights of this work are broadly applicable to the future design, fabrication, and deployment of robust III-N devices for harsh environment operation.

Physics↗

Mg and native defects in cubic silicon carbide from first principles

The diffusion of Mg defects in 3C-SiC is studied using the density functional theory. Mg has the highest burn-in rate as a transmutant in 3C-SiC when it is placed in high-energy neutron irradiation environment of a fusion reactor. The presence and evolution of transmutant defects impact thermal and mechanical properties of this important structural material. This study is focused on understanding the structure, stability, and evolution of Mg defects and the interaction of Mg with native defects in 3C-SiC. Our calculations of diffusion coefficients for different Mg defects suggest that Mg is likely to diffuse faster in pristine 3C-SiC than in the damaged one, in agreement with earlier experimental observations.

36 MATERIALS SCIENCE↗

Electric Drive Technologies Consortium (EDTC)/ Cost competitive, high-Performance, highly Reliable (CPR) Power Devices on 4H-SiC (Final Report)

4H-Silicon carbide (4H-SiC) is a wide bandgap semiconductor that offers superior material properties over silicon, including higher critical electric field, thermal conductivity, and electron saturation velocity. These advantages make 4H-SiC highly attractive for high-voltage, high-efficiency power electronics. However, realizing the full potential of SiC requires device technologies that are not only high-performing but also manufacturable and reliable under real-world operating conditions. This report summarizes the outcomes of a five-year R&D effort funded by the U.S. Department of Energy (DOE) under the Electric Drive Technologies Consortium (EDTC), focused on developing cost-competitive, high-performance, and highly reliable (CPR) power devices on 4H-SiC substrates. The program targeted scalable and manufacturable 1.2 kV-class SiC MOSFETs optimized for next-generation electric vehicles, renewable energy systems, and industrial power conversion. The project delivered transformative advancements in SiC power device performance and ruggedness. Particularly, Specific on-resistance (R on,sp ) was reduced by up to 37%, from ~4.0 m$\Omega \cdot$cm 2 in earlier designs to an industry-leading 2.40 m$\Omega \cdot$cm 2 , driven by optimized doping, refined JFET widths, and layout engineering. Breakdown voltages (BV) exceeded 1600 V, marking improvement over legacy baselines, and demonstrating the robustness of newly implemented junction profiles and edge terminations. Short-circuit withstand time (SCWT) saw a remarkable 4$\times$ increase, from ~2 $\mu$s to over 8 $\mu$s, achieved through the successful deployment of deep P-well structures (~1.8–2.0 $\mu$m) via channeling implantation. This innovative process breakthrough enabled precise junction formation without MeV-class implantation tools, reduced leakage under high field stress, and allowed even the shortest-channel devices (down to 0.3 $\mu$m) to achieve both high BV and excellent ruggedness—breaking the traditional trade-off between conduction efficiency and blocking capability. Several novel architectures pushed the performance envelope further. JBSFETs—featuring embedded Schottky portions—eliminated bipolar degradation and drastically reduced third-quadrant leakage, while Ladder MOSFETs introduced a clever orthogonal conduction path that achieved a 15.4% reduction in R on,sp over standard linear designs. Switching performance reached new benchmarks: short-channel devices showed a 31% reduction in total switching energy compared to 0.5 $\mu$m counterparts, while maintaining manageable gate drive requirements. Layout-optimized structures not only improved transconductance but also accelerated switching transitions, pointing to real-world benefits in converter-level efficiency. The devices also passed rigorous reliability validation. Stress-tested across TDDB, HTGB, HTRB, HVP, and burn-in, the devices screened under 30 V/10 hr and 43 V/1 s protocols consistently exhibited tighter lifetime distributions and long-term oxide robustness. These screening techniques proved effective in identifying latent defects and ensuring deployment-grade reliability. Meanwhile, advanced 3D TCAD simulations revealed and resolved electric field hotspots—particularly in HEXFET corners—where fields exceeding 4.8 MV/cm were mitigated through geometry-aware layout corrections. Overall, the results of this project demonstrate a manufacturable and scalable SiC power device platform that addresses key DOE performance targets for efficient, robust, and reliable 1.2kV 4H-SiC Power Devices. The developed technologies represent a meaningful step forward in the commercial readiness of high-voltage SiC solutions and provide a strong foundation for continued advancement in wide bandgap power electronics.

42 ENGINEERING↗

Module Testing Procedures and Results for the CMS Phase-2 Outer Tracker Upgrade at Fermilab

The High-Luminosity LHC (HL-LHC) will operate at significantly increased luminosities and is expected to deliver about 3000 $fb^{-1}$ of proton-proton collision data at $\sqrt{s}=14$ TeV over a decade of operation. To maintain efficient tracking and triggering performance under high pileup and radiation conditions, the CMS experiment is upgrading its tracking detector for Phase-2 operations. The upgraded Outer Tracker (OT) will consist of Pixel-Strip (PS) and Strip-Strip (2S) silicon modules capable of providing tracking information to the Level-1 trigger at 40 MHz. Production and qualification of OT modules have been ongoing for about one year across several assembly and testing centers in the US, Europe, India, and Pakistan, requiring extensive testing to ensure stable operation in the HL-LHC environment. Fermilab is responsible for the production and testing of a significant fraction of the OT modules. The testing activities include IV characterization of silicon sensors, noise and pedestal measurements, verification of communication between module components, and burn-in studies using cold-box systems operated under controlled thermal conditions. Results from module testing and qualification studies performed during production will be presented.

Baradia, Sweta [UC, Davis (main)]↗

General-Purpose Heat Source Radioisotope Thermoelectric Generator Flight Unit 5 Refurbished (GPHS-RTG F5R) Power Prediction

INL has evaluated and refurbished General Purpose Heat Source (GPHS) Radioisotope Thermoelectric Generator (RTG) Flight Unit 5 (GPHS-RTG F5R or F5R) that was defueled in 2005. The generator has passed all the INL internal reviews, an end item data package has been delivered to NASA and is ready fueling for a mission. NASA requested a user’s guide for F5R with enough detail for a prospective mission proposal. This report documents the development of the power prediction model used in the user’s guide. The prediction evaluated the thermoelectric “burn-in” and the graceful degradation modes of the missions and developed a thermal inventory dependent equation that predicts the power that matches Galileo, Cassini, and PNH within a three-standard deviation of ±1%. This prediction is only valid for the 30 VDC load voltage of these missions.

30 - DIRECT ENERGY CONVERSION↗

General-Purpose Heat Source Radioisotope Thermoelectric Generator Flight Unit 5 Refurbished (GPHS-RTG F5R) Power Prediction

INL has evaluated and refurbished General Purpose Heat Source (GPHS) Radioisotope Thermoelectric Generator (RTG) Flight Unit 5 (GPHS-RTG F5R or F5R) that was defueled in 2005. The generator has passed all the INL internal reviews, an end item data package has been delivered to NASA and is ready fueling for a mission. NASA requested a user’s guide for F5R with enough detail for a prospective mission proposal. This report documents the development of the power prediction model used in the user’s guide. The prediction evaluated the thermoelectric “burn-in” and the graceful degradation modes of the missions and developed a thermal inventory dependent equation that predicts the power that matches Galileo, Cassini, and PNH within a three-standard deviation of ±1%. This prediction is only valid for the 30 VDC load voltage of these missions.

30 - DIRECT ENERGY CONVERSION↗

Unveiling the Morphological and Physical Mechanism of Burn–in Loss Alleviation by Ternary Matrix Toward Stable and Efficient All–Polymer Solar Cells

All–polymer solar cells (All–PSCs) are considered the most promising candidate in achieving both efficient and stable organic photovoltaic devices, yet the field has rarely presented an in–depth understanding of corresponding device stability while efficiency is continuously boosted via the innovation of polymer acceptors. Herein, a ternary matrix is built for all–PSCs with optimized morphology, improved film ductility and importantly, boosted efficiency and better operational stability than its parental binary counterparts, as a platform to study the underlying mechanism. The target system PQM–Cl:PTQ10:PY–IT (0.8:0.2:1.2) exhibits an alleviated burn–in loss of morphology and efficiency under light soaking, which supports its promoted device lifetime. The comprehensive characterizations of fresh and light–soaked active layers lead to a clear illustration of opposite morphological and physical degradation direction of PQM–Cl and PTQ10, thus resulting in a delicate balance at the optimal ternary system. Specifically, the enlarging tendency of PQM–Cl and shrinking preference of PTQ10 in terms of phase separation leads to a stable morphology in their mixing phase; the hole transfer kinetics of PQM–Cl:PY–IT host is stabilized by incorporating PTQ10. Finally, this work succeeds in reaching a deep insight into all–PSC's stability promotion by a rational ternary design, which booms the prospect of gaining high–performance all–PSCs.

14 SOLAR ENERGY↗

NRC Multiphysics Analysis Capability Deployment (FY2021--Part 1)

This report details progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” The tasks completed for this report are as follows: First, Task 1d: The net radiation transfer method was implemented into MOOSE for modeling reactor cavity cooling system geometries. RCCS models for two experiments were created: (1) Natural Convection Shutdown Heat Removal Test Facility (NSTF) experiment R022, and (2) HTTR VCS mockup. For validation, computed temperature distributions were compared to measured temperatures. Next, Task 4c: An algorithm for computing the pebble bed reactor equilibrium core isotopic com-position was developed and an initial version is implemented into the reactor multi-physics code Griffin. Initial results for a simplified axisymmetric pebble bed reactor are presented. Finally, Task 7: generation of a reference plant model for molten salt cooled pebble bed reactor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗