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DOE OSTI2026

Ultra-thick three-dimensional interpenetrating graphene electrode architectures for high volumetric density energy storage

For electrochemical energy storage, increasing the electrode thickness is an effective approach to achieving higher energy density from a given material. However, this often compromises ion transport, leading to diminished performance. Here, in this study, we present a novel platform for fabricating complex 3D interpenetrating electrode structures via photo-polymerization 3D printing, integrated with computational structural optimization for energy storage. The platform employs an acrylate resin system infused with graphene oxide (GO), enabling high-fidelity printing of optimized porous structures and facilitating efficient electron and ion transport in ultra-thick electrodes. The optimized 3D layouts substantially enhance energy and power densities compared to conventional configurations, ensuring superior material utilization and minimal ohmic losses. Supercapacitors fabricated using this approach achieved an exceptional energy density of 4.7 Wh L−1 at a power density of 1689.0 W L−1, surpassing traditional designs. This work underscores the transformative role of structural optimization in advancing electrochemical performance and establishes a versatile pathway for developing next-generation energy storage systems with exceptional efficiency and functionality.

Wang, Zhen [University of California, Berkeley, CA↗

DOE OSTI2024

Creating a Universal PV Plug and Socket Standard

Photovoltaic connectors are designed to be quick and easy to install. Current connector qualification standards, such as UL 6703 and IEC 62852, are only intended to evaluate connectors from the same manufacturer and were recently changed to explicitly proscribe the mating of connectors from different manufacturers. Unfortunately, the industry has chosen to design connectors that will commonly connect together with those from other manufacturers. This is done to simplify installation avoiding the situations such as when the connectors on a microinverter, or other module level power electronics, do not match the connectors on the modules in the system. This rampant violation of electrical codes worldwide indicates that there is a strong desire and need to develop a universal connector standard. Here we present the initial approach and philosophy behind the formation of an IEC subgroup under TC82 WG2 looking at this problem. We intend to develop a standard where the materials and geometry of construction are specified to ensure compatibility and the design is intended to be of the highest quality. We expect that this connector will be more costly but especially in rooftop installations where power electronics requires matching components from several manufacturers, that this may still result in a net cost savings. These connectors must be of the highest quality because we wouldn’t want to develop a connector that precluded the manufacturing of a higher quality product, and because these will most commonly be used on rooftop installations where safety is more of a concern. Additionally, because we do not know which brands of connectors will be used together, we cannot simply rely on test results to ensure safety but must create a design that is as inherently safe as possible.

connectors↗

DOE OSTI2026

Epitaxy of Beta-Ga2O3 on Highly-Offcut (Greater than 10 Degrees) Substrates

Beta-Ga2O3 has emerged as a leading candidate for next-generation power electronics, radio frequency (RF) switches, and extreme environment electronics due to a wide band gap (4.6 - 4.9 eV), high dopability (approximately 40 meV activation energy for an isolated silicon donor), and melt growth characteristics resulting in commercially available 4-inch substrates and commercial demonstrations of 6-inch substrates by multiple techniques. The (100) surface of Ga2O3 is highly desirable from a device and epitaxy standpoint - bulk growth of (100) material is more scalable than (010), the surface is nearly lattice-matched to p-type partner NiO, and Al2O3 incorporates at higher concentrations without phase separation. However, the epitaxial growth rate on (100) surfaces is less than 10% of other faces due to weak bonding and favorable desorption. Recent demonstrations have shown growth rate improvements from 0.4 nm/min to 1.5 nm/min by growing on (100) wafers that are offcut 6 degrees in the -c direction.1 These films show step-flow growth from (-201) step-edges and high electron mobility. Despite these exciting results, offcuts greater than 6 degrees have not been explored due to the waste associated with grinding and polishing large offcuts. In this talk we will discuss the molecular beam epitaxy (MBE) growth and properties of Beta-Ga2O3 grown on (100) substrates offcut in the -c direction up to 13.4 degrees. These large offcuts are enabled by edge-fed film-defined growth (EFG) where the offcut is grown into the surface by pulling the crystal through the EFG die with the seed crystal rotated by the desired offcut angle. We will demonstrate that 13.4 degrees offcut substrates still exhibit a terraced (100) surface, and that a >10x increase (4.8 nm/min) in growth rate is achieved. As previously reported on lower offcuts, we observe 100% reversal of substrate twin domains around the (001) direction at the substrate-epilayer interface. We will discuss electrical properties including record-low (by MBE) unintentional doping densities of < 5E15 cm-3.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Correlating microstructure and mechanical properties of harvested high dose Zorita light water reactor internals

Here, in this study, microstructural studies and micro-mechanical testing of an ex-plant material harvested from the decommissioned pressurized water reactor (PWR) is carried out. Irradiated 304 stainless steel (SS) components were harvested by the Electric Power Research Institute, U.S. Nuclear Regulatory Commission, and members of the José Cabrera Nuclear Power Station (Zorita) in Spain. The bi-crystalline micro-tensile specimens, atom probe tomography (APT) tips, and transmission electron microscopy (TEM) lamellae were fabricated from the baffle plate materials irradiated to 0.05, 15 and 50 dpa to elucidate microstructural, microchemical, and local mechanical properties changes as a function of dose. TEM and APT studies reveal radiation induced Ni, Cr, and Si rich precipitates in the 15 dpa sample that become smaller and partially redissolve into the matrix of the 50 dpa sample (decreasing size and number density). Dislocation loop and cavity number density and size were quantified as a function of dose as well as swelling. Intergranular Ni and Si enrichments with concomitant Fe and Cr depletion were observed in the 15 dpa sample and were more pronounced in the 50 dpa sample. Micro-tensile testing performed in the scanning electron microscope (SEM) at room temperature and 300 °C shows that the material's local yield strength and ultimate tensile strength decreases with increased dose and elevated test temperature and provides further insights via localized strain mapping. Current and previous mechanical data was compared with calculated values using the dispersed barrier hardening model with inputs of dislocation loops, precipitates, and cavities from microstructural characterization.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Metal additively manufactured wavy fin cold-plate architecture for improved thermal-hydraulic performance

Rapid growth in artificial intelligence and data center workloads demands high-performance liquid cooling to manage increasing chip power. This study presents two metal-additive-manufactured cold plates with sinusoidal fins, constant-amplitude wavy fins and linearly variable-amplitude wavy fins and compares them against metal-additive-manufactured straight fins using experiments conducted at 1 kW heat dissipation as well as high-fidelity 3D conjugate computational fluid dynamic simulations. The cold plates were printed in AlSi10Mg material and underwent design using a Python-automated workflow prior to manufacture and testing. The experiments show that wavy fins reduce the normalized thermal resistance by 35 to 45 % at water flow rates from 1 to 4 LPM. At a fixed 20 kPa pressure drop, the variable-waviness design lowered peak surface temperature by 9 °C and thermal resistance by 51 %, while edge-channel maldistribution in the constant wavy fin design limited gains. A thermal resistance breakdown revealed that 55–63 % of the total thermal resistance in wavy designs comes from base heat conduction, 27–33 % from fin heat conduction, and 9–13 % from fin heat convection, indicating the need to address conduction bottlenecks. Parametric sweeps identify a 3 mm fin pitch as optimal, and that horizontal inlet/outlet manifolds further reduce pressure drop by 30–60 % and thermal resistance by 9–16 % relative to vertical inlet-outlet manifolds. The results yield comprehensive guidelines for fin geometry, manifold alignment, material selection and additive-manufacturing constraints to realize high-performance liquid-cooled cold plates for power-dense electronics.

3d printing↗

DOE OSTI2026

Flat-band driven Kondo breakdown and reentrant effects in heavy-fermion moiré superlattices

Moiré superlattices (MSLs) in van der Waals heterostructures have demonstrated their incredible power in driving emergent electronic phenomena, some of which are reminiscent of those usually only observed in bulk strongly correlated quantum materials. With the recent discovery of van der Waals 𝑓-electron materials, the design of novel MSLs of intrinsic strong correlation is now within the reach. Here we study the novel electron phases of two-dimensional heavy-fermion MSL with increasingly diluted 𝑓-electron local moments. By applying dynamical mean-field theory with numerical renormalization group as an impurity solver, we demonstrate the appearance of a different energy scale and a reentrant Kondo breakdown in connection with the emergence of a flat band in the system. We further compare our numerical findings with predictions derived from the Lieb-Mattis theorem and show the necessity of this energy scale to consistently reconcile the predictions with the conventional single-impurity limit for exceedingly large unit cells.

36 MATERIALS SCIENCE↗

DOE OSTI2025

UV + Damp Heat Induced Power Losses in Fielded Utility N-Type Si PV Modules

A recent trend in commercial PV modules is a transition to n-type silicon cells, including passivated emitter rear totally diffused (n-PERT), tunnel oxide passivated contact (TOPCon), and silicon heterojunction (SHJ). There is evidence via lab studies that some of these cells are more susceptible to UV induced degradation (UVID), yet there is a lack of confirmation that such degradation occurs in the field. Current IEC standards designed to screen for early module failures require only minimal UV exposure (15 kWh/m2 280-400 nm, ~2-3 months equivalent outdoor exposure). Here, we investigate fielded n-PERT silicon (Si) modules from a commercial utility that show power losses of ~2%/year. We present a comprehensive picture of the physics and chemistry of degradation supported by both module and cell electronic characterization (EL, PL, IV, EQE, and DLIT) and materials-level morphological and chemical analysis (SEM, EDS, XPS, FTIR, and HPLC). All sampled site modules show short circuit current (Isc) and open circuit voltage (Voc) losses when compared to unfielded spares, with the most severely degraded also having losses in fill factor (FF). We identify two different degradation modes contributing to overall power loss: (1) external quantum efficiency (EQE) measurements show losses in the blue range of the spectra, indicative of cell surface recombination losses, and (2) variations in high series resistance (Rs) at the cell level that are correlated with compositional differences in cell metallization. Using unfielded spares, we were able to reproduce Voc, Isc, and EQE losses via a minimum UV stress of 67.5 kWh/m2 (280-400 nm), 4.5x the exposure currently required in IEC 61215-2 (MQT 10). Degradation continued with additional UV dosage equivalent to the fielded modules (405 kWh/m2 total), with power loss leveling out at an average of 6.1%. Subsequent 1000 h of 85% RH/85degrees C damp heat testing showed that cells exposed to UV underwent additional severe series resistance degradation, even those without the susceptible paste composition seen in the field, whereas non-UV exposed cells saw little change. We attribute this to higher concentrations of acetic acid generated on the UV exposed area of the module, leading to degradation of the gridline/cell interface and high Rs. This study is unique in that it reproduces field observed utility scale UVID with an accelerated test and supports the need for standards development for longer UV exposure combined with other stress factors to catch materials interplay within a module package.

14 SOLAR ENERGY↗

DOE OSTI2024

Thermal Management of Discretized Heaters Using CuW Microchannel Heat Sinks and FC3283

Single-phase cooling using microchannel heat sinks (MCHS) has become a popular approach for overcoming the thermal challenges associated with high-powered microelectronic devices. Thermal management is one of the largest barriers to higher power densities in electronics and frequently limits overall device performance. The implementation of forced convective cooling via single-phase liquid cooling in MCHS reduces the thermal resistance resulting in lower device temperatures at high-power conditions, which can decrease the package size and extend the lifespan of devices. The goal of the work described in this article was to investigate practical cooling solutions for laser diode bars. This study examined the effectiveness of a copper tungsten (CuW) microchannel heat sink paired with a dielectric coolant (FC3283) for dissipating both discrete and uniform heat fluxes up to 600 W/cm2 across a 0.25-cm2 surface area through a numerical and experimental study. CuW was chosen as the MCHS material because it is thermal expansion matched to GaAs, which is a common laser diode substrate. FC3283 serves as a dielectric coolant that is compatible with power electronics cooling. The microchannels utilized in this work were approximately $365$ $μ$ m deep and $100$ $μ$ m wide resulting in a hydraulic diameter of $160$ $μ$ m. The study investigated the cooling performance across a variety of applied power loads and flow rates to determine optimal effectiveness. The resulting thermal resistance ranged from 0.15 cm2 K/W at the highest flow rate to 0.26 cm2 K/W at the lowest flow rate. Further, the resulting thermal performance from this study demonstrates the importance of considering discrete heat sources separately from uniform heat sources and proved that the unique combination of CuW microchannels with FC3283 can be a promising cooling option toward future advancements of laser diode bars and other high-power microelectronics.

42 ENGINEERING↗

DOE OSTI2025

First-Principles Simulations Correlating X-ray Absorption Spectroscopy Features to Point Defects in h -BN

Hexagonal boron nitride (h-BN) is a promising material for a range of emerging applications in electronics, quantum information technology, and energy storage. Soft X-ray absorption spectroscopy (XAS) is powerful to reveal atomic details of BN, especially in the presence of defects. However, correlating XAS spectral features with specific defect types remains elusive. In this Letter, we report B K-edge XAS measurements of sputter-deposited turbostratic h-BN films and use a combination of first-principles spectroscopic simulations and analysis of detailed electronic structure and local charge transfer characteristics to elucidate their unique spectroscopic features. Our results show that the two main defect-related peaks, between the main π* resonances of h-BN and B2O3, as typically observed in BN films deposited by energetic condensation or bombarded with energetic ions, are associated with electronic states of H-passivated B atoms bonded to one and two oxygen impurity atoms, respectively. These conclusions hold significant implications for applications relying on defect-mediated properties of h-BN.

chemical structure↗

DOE OSTI2024

Geant4 Monte-Carlo (GEMC) A database-driven simulation program

GEMC[1] is an application that harnesses the power of databases to execute Geant4 Monte-Carlo simulations. The databases (MYSQL, CSQL, TEXT) define the geometry, materials, digitization algorithms, readout electronics and output formats. Implemented in C++, GEMC also boasts a user-friendly Python API that facilitates detector construction and database population. GEMC can handle real-life scenarios such as geometry variations and the run number-dependent calibration constants and digitization parameters. This abstract provides an overview of GEMC, accompanied by examples that showcase its versatility. We delve into the practical application of GEMC within the the CLAS12 experimental program at Jefferson Lab.

Ungaro, Maurizio↗

DOE OSTI2024

On the Life Expectancy Ot High-power CW Magnetrons for Superconducting Accelrators

Modern CW or pulse Superconducting RF (SRF) accelerators require efficient RF sources controllable in phase and power with a reduced cost. Therefore, utilization of the high-power CW magnetrons as RF sources in SRF accelerator projects was proposed in a number of works, e.g., [1, 2]. But typically, the CW magnetrons are designed as RF sources for industrial heating, and the lifetime of the tubes is not the first priority as it is required for high-energy accelerators. The high-power industrial CW magnetrons use the cathodes made of pure tungsten. The emission properties of the tungsten cathodes are not deteriorated much by electron and ion bombardments, but the latter causes sputtering of the cathode in the magnetron crossed fields. The sputtered cathode material covers the magnetron interior. This leads to sparks and discharges that limit the life of the magnetrons. We considered an analysis of magnetron failure modes vs. output power [3]. We developed a model of ionization of the residual gas in the magnetrons interaction space and simulated the spattering of the cathode in 100 kW CW magnetrons to estimate the life expectancy. Basing on results we proposed ways to increase the CW magnetrons longevity for SRF accelerators.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

On the Life Expectance of High-power CW Magnetrons for SRF Accelerators

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Strain-tunable microwave-resonance technique for quantum materials

By integrating a dielectric microwave resonator with a piezoelectric-based strain device, we develop an in situ strain-tunable microwave spectroscopy technique that enables contactless measurements of material properties under strain. To demonstrate the capability of this device, we measure the strain-dependent microwave surface impedance of the representative iron-based superconductor Ba⁢Fe 2 (As 1−𝑥 ⁢P 𝑥 ) 2 at the slightly overdoped composition. We successfully control and observe the suppression of superconductivity under both compressive and tensile anisotropic lattice distortions along the tetragonal [110] T direction, as manifested by changes in the quality factor and resonance frequency shifts of microwave resonance. Furthermore, strain-induced changes in microwave surface resistivity, an extension of conventional DC-limit transport elastoresistivity to the microwave regime, provide information on electronic anisotropy equivalent to that of DC elastoresistivity, while offering a contactless alternative. Furthermore, our strain-tunable cavity therefore serves as a powerful, contactless probe of fundamental material properties under strain and may also potentially facilitate the design of hybrid quantum systems with strain-engineered quantum degrees of freedom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Orbital Engineering Band Degeneracy in a Dual-Square Carbon-Oxide Framework

Electron band degeneracies in momentum space give rise to exotic quantum phenomena that have sparked intense interest in condensed matter physics and materials science. Nodal-lines─isolines in k-space formed by the incidental touching of two bands that share the same energy but belong to discrete eigenstates─arise in the presence of symmetries that preclude effective hybridization. Despite recent advances in the design, bottom-up assembly, and engineering of exotic electronic states in graphene nanomaterials, the extension of this approach to access synthetic two-dimensional (2D) quantum materials derived from metal- or covalent-organic frameworks (COFs) has lagged behind. Here we present a molecular orbital engineering approach for designing and fabricating an edge-centered dual square lattice within a π-conjugated 2D-tetraoxa[8]circulene (2D-TOC) COF. First-principles calculations and scanning tunnelling spectroscopy reveal the emergence of Frontier states at the center of a 3 × 3 lattice that give rise to Dirac nodal-lines in 2D-TOC. Our findings not only provide a general guide for the design of conjugated COFs with custom tailored electronic properties from molecular fragments but enable the exploration of emergent topological phenomena in synthetic 2D materials with potential application for high-speed, low-power data processing, transmission, and storage.

Dirac nodal line semimetal↗

DOE OSTI2025

Ultrahigh-power-density flexible piezoelectric energy harvester based on freestanding ferroelectric oxide thin films

Flexible piezoelectric nanogenerators are emerging as a promising solution for powering next-generation flexible electronics by converting mechanical energy into electrical energy. However, traditional ferroelectric ceramics, despite their excellent piezoelectric properties, lack flexibility; while piezoelectric polymers, although highly flexible, have low piezoelectricity. The quest to develop materials that combine high piezoelectricity with exceptional flexibility has thus become a research focus. Herein, we present a breakthrough in this field with the fabrication of freestanding (111)-oriented PbZr 0.52 Ti 0.48 O 3 single crystalline thin films, which exhibit remarkable flexibility and a high converse piezoelectric coefficient (~585 pm/V). This is achieved through water-soluble sacrificial layer to relieve substrate clamping and controlling the crystal orientation to further enhance the piezoelectric response. Our nanogenerators, constructed using these freestanding nanoscale membranes, demonstrate a record-high output power density (~63.5 mW/cm 3 ), excellent flexibility (with a strain tolerance >3.4%), and superior mechanical stability in cycling tests (>60,000 cycles). These advancements pave the way for high-performance, flexible electronic devices utilizing ferroelectric oxide thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

High-entropy 1D halide perovskite piezoelectrics found by megalibrary synthesis and rapid nonlinear optical screening

Piezoelectric molecular crystals offer excellent compositional and structural tunability and sustainable processability. However, their discovery is slow, primarily due to the serial synthesis and screening processes used. Here, we report an approach that combines massively parallel megalibrary synthesis with scanning second harmonic generation (SHG) microscopy for rapid screening of piezoelectric molecular crystals. Megalibraries consisting of more than 1,000,000 compositionally distinct but positionally encoded TMCM x TMA (1–x) Cd y Pb (1–y) ClzBr (3–z) (TMCM: trimethylchloromethylammonium, TMA: tetramethylammonium; 0 ≤ x ≤ 1, 0 ≤ y ≤ 1, 0 ≤ z ≤ 3) nanocrystals were synthesized. The megalibraries were rapidly screened by SHG microscopy to identify notable noncentrosymmetric structures, which were then tested for piezoelectricity, facilitating discovery of a high-entropy noncentrosymmetric material with a large d 33 (TMCM 0.75 TMA 0.25 Cd 0.75 Pb 0.25 Cl 1.5 Br 1.5 , 42.8 picocoulombs per newton). Furthermore, this approach enabled systematic investigation of the Curie temperature (T C )–composition relationship in the TMCMCdCl z Br (3–z) system, facilitating reverse design of materials with targeted T C . Our work establishes a powerful approach to accelerate the discovery and design of unusual piezoelectrics for next-generation electronics and optics.

Li, Jun [Northwestern University, Evanston, IL (Un↗

DOE OSTI2024

Rethinking hysteresis in magnetic materials

Abstract Magnetic materials with zero hysteresis are posed to have a significant impact on sustainable energy conversion, electronics, and communication technologies. As the global market for soft magnetic materials continues to expand, driven by increasing demand in renewable energy, automotive, and power transmission sectors, it is important to design magnets that can be cycled under an external field reversibly and rapidly multiple times without a decay in magnetic response. However, designing magnets with small hysteresis has been a challenge because we do not fully understand its origins. In this article, I outline key research efforts investigating the fundamental mechanisms underpinning hysteresis in soft magnets and, highlight recent developments in the use of nonlinear analysis and nucleation barrier methods to predict coercivity in these materials. Graphical abstract

Renuka Balakrishna, Ananya (ORCID:0000000306015257↗

DOE OSTI2024

Machine Learning-Enabled Image Classification for Automated Electron Microscopy

Abstract Traditionally, materials discovery has been driven more by evidence and intuition than by systematic design. However, the advent of “big data” and an exponential increase in computational power have reshaped the landscape. Today, we use simulations, artificial intelligence (AI), and machine learning (ML) to predict materials characteristics, which dramatically accelerates the discovery of novel materials. For instance, combinatorial megalibraries, where millions of distinct nanoparticles are created on a single chip, have spurred the need for automated characterization tools. This paper presents an ML model specifically developed to perform real-time binary classification of grayscale high-angle annular dark-field images of nanoparticles sourced from these megalibraries. Given the high costs associated with downstream processing errors, a primary requirement for our model was to minimize false positives while maintaining efficacy on unseen images. We elaborate on the computational challenges and our solutions, including managing memory constraints, optimizing training time, and utilizing Neural Architecture Search tools. The final model outperformed our expectations, achieving over 95% precision and a weighted F-score of more than 90% on our test data set. This paper discusses the development, challenges, and successful outcomes of this significant advancement in the application of AI and ML to materials discovery.

Materials Science↗