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1,174 records · Page 56

Optimizing Deep Geothermal Drilling for Energy Sustainability in the Appalachian Basin

This study investigates the geological and geomechanical characteristics of the MIP 1S geothermal well in the Appalachian Basin to optimize drilling and address the wellbore stability issues encountered. Data from well logs, sidewall core analysis, and injection tests were used to derive elastic and rock strength properties, as well as stress and pore pressure profiles. A robust 1D-geomechanical model was developed and validated, correlating strongly with wellbore instability observations. This revealed significant wellbore breakout, widening the diameter from 12 ¼ inches to over 16 inches. Advanced technologies like Cerebro Force™ In-Bit Sensing were used to monitor drilling performance with high accuracy. This technology tracks critical metrics such as bit acceleration, vibration in the x, y, and z directions, Gyro RPM, stick-slip indicators, and bending on the bit. Cerebro Force™ readings identified hole drag caused by poor hole conditions, including friction between the drill string and wellbore walls and the presence of cuttings or debris. This led to higher torque and weight on bit (WOB) readings at the surface compared to downhole measurements, affecting drilling efficiency and wellbore stability. Optimal drilling parameters for future deep geothermal wells were determined based on these findings.

Environmental Sciences & Ecology

Chemomechanics in alloy phase stability

We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach relies on an extension of the alloy cluster expansion to include an explicit dependence on homogeneous strain in addition to site occupation variables that track the degree of chemical ordering. The method is applied to the Si-Ge binary alloy and is used to calculate free energies that describe phase stability under arbitrary epitaxial constraints. We find that while the incoherent phase diagram (in which coexisting phases are not affected by coherency constraints) hosts a miscibility gap, coherent phase equilibrium predicts ordering and negative enthalpies of mixing. Instead of chemical instability, the chemomechanical free energy exhibits instabilities along directions that couple the composition of the alloy with a volumetric strain order parameter. Furthermore, this has fundamental implications for phase field models of spinodal decomposition as it indicates the importance of gradient energy coefficients that couple gradients in composition with gradients in strain.

Materials Science

Microstructural Evolution and Mechanical Properties of LP-DED NASA HR-1 – A Hydrogen Resistant AM Superalloy for Space Propulsion Applications

The National Aeronautics and Space Administration (NASA) has actively pursued metal additive manufacturing (AM) technologies for spaceflight applications since the late 2000s. AM offers transformative advantages in cost, schedule, part consolidation, and design flexibility. Among the various AM techniques, laser powder directed energy deposition (LP-DED) is particularly well suited for fabricating complex geometries with fine feature resolution. In propulsion systems that utilize high-pressure gaseous hydrogen—such as liquid hydrogen rocket engines—hydrogen environment embrittlement (HEE) presents a serious threat to material performance 1,2 . Mechanical property degradation under these conditions can compromise component reliability, especially under cyclic loading. To address this challenge, NASA developed NASA HR-1 (Hydrogen Resistant-1) as a solution for liquid rocket engine components operating in hydrogen-rich environments, using the LP-DED technique 3-9 . A key component in a liquid rocket engine is the exhaust nozzle, which is typically regeneratively cooled (regen) due to the high heat flux. NASA HR-1 was specifically developed for regen nozzle applications using hydrogen as a propellant, providing resistance to HEE, a critical issue for many materials. The AM version of NASA HR-1 was also formulated to achieve high ultimate tensile strength, along with high yield strength and ductility in this environment 5,6 . Low-cycle fatigue (LCF) is another important consideration in nozzle design, as components are expected to endure multiple starts and missions. Additionally, the LP-DED version of the alloy exhibits improved thermal conductivity compared to its wrought counterpart, which benefits nozzle cooling. Overall, NASA HR-1 offers an excellent balance of high strength, HEE resistance, LCF performance, thermal conductivity, and ductility to meet the demanding requirements of channel-cooled nozzles and other components used with hydrogen and other propellants. The LP-DED–processed NASA HR-1 requires several post-processing heat treatment steps to achieve the material properties desirable for its intended application 6 . These steps include stress relief, homogenization, solution annealing, and aging for precipitation hardening. The stress relief treatment mitigates residual stresses accumulated during the LP-DED process and minimizes the potential for distortion. Homogenization, a common step for AM materials, reduces elemental segregation and promotes recrystallization to develop a more equiaxed grain structure. The subsequent solution annealing treatment heats the part to a solid solution temperature to dissolve the undesirable η-phase that forms during cooling from homogenization, followed by rapid cooling to retain an η-phase–free microstructure. Finally, aging promotes precipitation of the strengthening γ′ phase in the alloy. The integration of compositional design and optimized thermal processing enables high-quality LP-DED NASA HR-1 components with excellent microstructural and mechanical stability. Improved chemical and microstructure homogeneity enhances ductility and fatigue resistance—both critical for safe and reliable operation in high-pressure hydrogen environments. NASA has successfully fabricated and hot-fire tested multiple subscale and full-scale channel wall nozzles using LP-DED NASA HR-1 5,6, 9-14 . These efforts included process refinements to support thin-wall construction and various channel geometries. Throughout development, several key observations emerged. After homogenization, the as-built columnar grain structure transforms into a fully equiaxed microstructure. However, subsequent treatments—such as solution annealing and aging—result in changes that are more difficult to track. The grain structure remains largely unchanged, and the γ′ precipitates, typically 5–10 nm in diameter, are beyond the resolution of scanning electron microscopy (SEM). While transmission electron microscopy (TEM) can resolve these fine precipitates, TEM sample preparation is time-consuming and difficult for LP-DED material. As an alternative, differential scanning calorimetry (DSC) offers a useful, qualitative approach to monitor precipitate evolution throughout different stages of heat treatment. The overall goal is to improve the understanding of how heat treatment affects the microstructure and mechanical performance of LP-DED NASA HR-1. This paper presents heat treatment design considerations, microstructural characterization, mechanical testing – including tensile and LCF testing in both air and hydrogen environments.

Superalloy

Mechanics and Cooling of the CMS Phase-II Tracker Barrel

The CMS upgrade for the High-Luminosity LHC (HL-LHC) era will allow for an incredibly high rate of data collection, to be used in the next generation of precision measurements and searches for beyond the standard model physics. A key element of this upgrade is the full replacement of the silicon strip tracker to enable level-1 triggering on track level primitives, produced by pixel-strip (PS) and strip-strip (2S) modules, tiled together to form the new detector. Mechanically supporting and cooling these modules is not trivial, as material budget in the tracker volume is highly constrained, and as the modules accrue radiation damage they risk becoming entirely non-functional if the silicon sensors are not sufficiently cooled. To address this, each region of the tracker has a bespoke solution for housing and cooling their modules, mostly depending on carbon-fiber and carbon-foam structures, with dual phase CO2 cooling. For the most central part of the tracker, the Flat Barrel with PS modules (Flat TBPS) covers the pseudorapidity range out to $|\eta|=0.4$, and the mechanical structures are manufactured, assembled, and tested entirely by Fermilab and UC Davis. This presentation will describe the intense design and testing requirements for these components, and how they will ensure strong performance of the tracker through the HL-LHC era.

Cosby, Christopher [Fermilab]

Enter the AHU (36th Chamber of ASHRAE): A Multi-site Field Study of ASHRAE G36

Despite being recognized as the best practice for advanced building controls, ASHRAE Guideline 36 (G36) has seen slow adoption in retrofit cases. Decisionmakers lack credible field evidence to justify the time and person-power investment. Most prior analyses have relied on software simulations, which overlook implementation challenges and fail to persuade owners to move from models to real-world deployment. This paper presents a multi-site field study of G36 performance, drawing on measured results from 17 projects across diverse building types and climate zones. The analysis disaggregates outcomes by the most widely adopted air handling unit (AHU) based G36 strategies, including trim-and-respond approaches to supply air temperature (SAT) and duct static pressure (DSP) reset, and economizer controls. Results for controls re programming implementations are encouraging, with HVAC savings ranging from 2% - 49%, with a median of 18%. The range aligns with simulation study findings showing 1% - 46% savings through these three strategies. These findings show that even without capital investment in control infrastructure upgrades, existing building owners are reaping significant benefits from updating HVAC sequences of operation to industry best-practice solutions. The results give practitioners and decisionmakers a reference point on what to expect, which strategies deliver, and how field performance may compare to simulation.

Deshpande, Reva

The critical role of intrinsic defects and many-body interactions on the stability of MnBi2Te4

Intrinsic antisite defects pose a major challenge to understanding and predicting the exotic properties of the layered topological magnetic insulator MnBi2Te4 (MBT). In this work, we study the origin of the abundance of intrinsic defects in MBT, including many-body defect–defect interactions and many-body electronic correlations. Until now, ab initio methods have struggled to explain thermodynamic stability and properties influenced by defect behavior in MBT. We model native Mn–Bi antisite defects in MBT at finite temperatures using a cluster expansion that includes defect–defect interactions. To overcome the limitations of conventional density functional theory (DFT), we introduce a hybrid approach that incorporates high-accuracy quantum Monte Carlo (QMC) calculations, introducing missing correlations. This strategy allows for accurate estimation of defect energetics and finite-temperature properties. We compute the configurational free energy, defect concentration, and configurational heat capacity, revealing a second-order order–disorder phase transition near the experimental synthesis temperature. Our study provides the first theoretical insight into the thermodynamics of intrinsic defects in MBT. The negative free energy relative to pristine MBT at synthesis temperatures indicates that Mn–Bi antisite formation is thermodynamically spontaneous. We also present a broadly applicable general framework for correcting low-level theoretical theories using highly accurate many-body corrections from QMC.

Ghaffar, Abdul [ORNL] (ORCID:0000000241190168)

Changes in Arctic and Antarctic Sea-Ice Properties and Processes

Although sea ice covers ~9% of the world’s oceans, its presence, and absence, vastly alter the energetic balance of Earth’s climate. Because of geographic differences, Arctic and Antarctic sea ice have different dominant properties and processes, which produce different responses to natural variability and anthropogenic change. In this Review, we survey changes in sea-ice properties and processes of the Arctic and Antarctic environments. In the Arctic, the melt season has lengthened by ~7.4 days decade −1 (1979-2024). There has been a corresponding decrease in winter sea-ice thickness (1.6 m mean total over 1980-2023), summer surface albedo (0.03 decade −1 over 1979-2020), and spring snow depth (2.5 cm decade −1 over 1954-2024). In comparison, corresponding changes in the Antarctic are small overall due to contrasting regional and temporal trends. From a dynamic perspective, sea-ice motion in both hemispheres has increased, with 0.63 cm s −1 decade −1 in the Arctic (1978-2024) and 0.69 cm s −1 decade −1 in the Antarctic (1982-2024), whereas trends in polynya occurrence differ by region. Future research should prioritize sea-ice observations that can inform how the climate system responds to natural variability and anthropogenic change, be standardized to increase uptake by the broader scientific community, and target process-oriented interactions to support model development.

Melinda A Webster

Decoupling thermal and irradiation effects on grain boundary segregation

Radiation-induced segregation (RIS) is most often measured by peak solute concentration at a boundary. However, this may give an incomplete picture of segregation quantity and phenomena. Radiation-induced and thermal segregation at grain boundaries was investigated in Fe-9.6 at.% Cr after 9 MeV Fe 3+ ion irradiation at 400 °C. The experimental results were compared to kinetic Monte Carlo (KMC) simulations. The study revealed that Cr enrichment (peak segregation) at the grain boundaries was comparable in both the irradiated and non-irradiated conditions, although irradiation resulted in broader segregation profiles in both experiments and simulations, indicating an overall increase in grain boundary segregation due to irradiation. This broadening is attributed to back diffusion into the grain interior. While it is an established phenomenon, this study offers a quantitative evaluation using experimental data and KMC modeling. Further, these results emphasize the importance of analyzing the entire segregation profile and decoupling the thermal and irradiation contributions to solute segregation.

Grain boundary segregation

CASM Monte Carlo: Calculations of the thermodynamic and kinetic properties of complex multicomponent crystals

Monte Carlo techniques play a central role in statistical mechanics approaches that connect macroscopic thermodynamic and kinetic properties to the electronic structure of a material. This paper describes the implementation of Monte Carlo techniques for the study of multicomponent crystalline materials within the Clusters Approach to Statistical Mechanics (CASM) software suite, and demonstrates their use in model systems to calculate free energies and kinetic coefficients, study phase transitions, and construct phase diagrams from first principles. Many crystal structures are complex, with multiple sublattices occupied by differing sets of chemical species, along with the presence of vacancies or interstitial species. This imposes constraints on concentration variables, the form of thermodynamic potentials, and the values of kinetic transport coefficients. The framework used by CASM to formulate thermodynamic potentials and kinetic transport coefficients accounting for arbitrarily complex crystal structures is presented and demonstrated with examples of increasing complexity. Additionally, an overview of the capabilities of the CASM software specific to Monte Carlo methods is given, and a new CASM software package is introduced, casm-flow, which helps automate the setup, submission, management, and analysis of Monte Carlo simulations.

Cluster expansion

In-Situ Visualization of a Growing Brittle Crack in Aluminum Oxynitride Using Synchrotron X-Rays and the Double-Cleavage Drilled Compression Geometry

Brittle fracture is difficult to study in situ due to the speed of a growing crack and the often-catastrophic nature of failure in brittle materials. As a result, the influence of microstructural considerations, such as orientation, grain boundary locations, and strain field, on the crack path remains poorly understood. Presented in this study is a method addressing this knowledge gap, which utilizes the double-cleavage drilled compression geometry to achieve quasi-stable fracture in aluminum oxynitride (AlON). Synchrotron X-ray micro-computed tomography is used to characterize the crack shape and length, while high-energy diffraction microscopy provides information on the strains, orientations, and shapes of grains in the microstructure surrounding the crack tip. During testing, the crack grew in discrete and irregular jumps while the fracture toughness falls within reported ranges. The crack in AlON is found to have no greater tendency to crack intergranularly as compared to transgranularly, and grains which are cracked transgranularly do not display a trend in orientation or stress when compared to those around which the crack followed a grain boundary. The high resolution of the crack path and microstructural data provides a path forward for modeling and understanding 3D brittle fracture.

Gorske, Sara F.

Dissecting Disorder: Defect-Driven Structural Complexity in Layered Li3InCl6 Solid Electrolyte

Halide solid electrolytes have emerged as promising candidates for solid-state batteries owing to their high oxidative stability and ionic conductivity. Among them, Li3InCl6 (LIC) has attracted significant attention. However, diffraction patterns of LIC synthesized via different methods exhibit distinct differences particularly at low-angle reflectionsindicative of underlying structural disorder. These variations are attributed to deviations from ideal crystallographic order, especially stacking faults, whose impact on structure and ion transport remains poorly understood. Here, we identify and quantify stacking faults in LIC samples prepared under different synthetic conditions. Using X-ray diffraction and time-of-flight neutron diffraction, we construct and refine stacking fault models that accurately reproduce the experimental diffraction features. LIC samples with higher degrees of stacking faults exhibit only negligible differences in ionic conductivities and activation energies. This indicates that stacking faults have a limited impact on altering the Li+ diffusion pathway along the c-axis, likely due to the high concentration of vacancies in the In layers, while Li+ diffusion remains nearly unchanged in the ab-plane. Our results account for the observed differences in diffraction patterns across samples and provide a quantitative assessment of faulting probabilities and stacking sequences. The insights gained from this study are expected to be broadly applicable to other layered halide solid electrolytes and contribute to a deeper understanding of the role of structural disorder in ion transport.

Liu, Jue [ORNL] (ORCID:000000024453910X)

Under Pressure: The Artemis I Heatshield Char Loss Investigation and Artemis II’s Successful Entry

Following the successful Artemis I skip reentry on December 11, 2022, unexpected char liberation from the Orion heat- shield prompted formation of an Anomaly Response Team to determine root cause and establish flight rationale and corrective actions for subsequent missions. Through a comprehensive investigation including detailed hardware analysis, modeling & simulation, and ground testing, the team determined that the low permeability Avcoat experienced extreme internal gas pressure buildup during the skip entry that could not adequately outgas, leading to crack formation and char liberation. Key discoveries included significant performance differences between permeable and impermeable heatshield regions and successful replication of the anomaly through ground testing. Based on extensive ground testing and analysis, Artemis II flew a modified trajectory without the skip entry to minimize crack-inducing conditions, and successfully splashed down on April 10, 2026 with significantly reduced char loss. For Artemis III and beyond, a corrective action was implemented to produce a more permeable version of Avcoat that will substantially reduce internal pressure accumulation during entry.

Artemis II

Robust Biaxial Anisotropy and Switchable Néel Vectors in LaFeO 3 Epitaxial Films

Antiferromagnets with highly stable but switchable Néel vectors are desired for antiferromagnetic spintronics with ultrafast speed and terahertz frequencies. Electrical switching of antiferromagnetic insulators has been demonstrated using binary antiferromagnets, while large families of complex antiferromagnets such as perovskites are largely unexplored. Here, we show that epitaxial LaFeO 3 thin films on SrTiO 3 (001) exhibit clear, robust biaxial anisotropy with a spin-flop field of a few tesla. Angular-dependent spin-Hall magnetoresistance (SMR) characterizations of Pt/LaFeO 3 bilayers with the current channel along SrTiO 3 [100] and [110] reveal distinct, intriguing shapes and field dependence. Simulations using a macrospin model accurately describe the main behavior and fine features of the SMR data from which key antiferromagnetic parameters are extracted. Furthermore, remanent SMR measurement confirms the high fidelity of the Néel vector along either easy axis of the biaxial anisotropy, indicating that epitaxial films of LaFeO 3 and potentially other perovskite antiferromagnets offer an attractive platform for antiferromagnetic spintronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

Design, Development, and Test of the Advanced Apollo Orbital Assembly System

As spaceflight moves toward commercial solutions for Crew Vehicles and Space Stations, opportunity exists to lower costs with novel designs. Probe and cone docking systems provide a lightweight, low cost, and high-performance docking solution. This work revisits the Apollo probe and cone design and modifies it for the requirements of today’s computer-controlled spacecraft. This new system is called the Advanced Apollo Orbital Assembly (APOA) system, and is intended to support satellite, cargo, and space station assembly missions. A simulation of the APOA was programmed, components were sized, and a design was created by scaling the probe to the size of an EELV Secondary Payload Adapter (ESPA) tunnel. Prototype test hardware was 3D printed using Fused Deposition Modeling (FDM) methods with Polylactic Acid (PLA) material. Testing of the APOA-ESPA was conducted at Marshall Space Flight Center’s (MSFC) Flat Floor, and a test-correlated simulation is used to evaluate a Monte-Carlo of Initial Contact Conditions (ICC’s) to establish baseline performance. The successful development, test, and correlation of the APOA-ESPA proves the design validity and increases Technology Readiness Level (TRL) from 2 to 4. This work opens the door to construction of an APOA-ESPA from flight like materials, and to develop a larger scale prototype APOA. When the full scale APOA is incorporated with the Common Berthing Mechanism (CBM), becomes the Hybrid Berthing System (HBS), which allows for berthing without a robotic arm.

Berthing

Lyotropic Liquid Crystalline Phase Behavior of Boron Nitride Nanotube Aqueous Dispersions

Boron nitride nanotubes (BNNTs) are gaining significant interest due to their outstanding mechanical and thermal properties, as well as their potential to serve as a model nanorod system. Processing BNNT liquid crystalline (LC) dispersions enables precise control over BNNT orientation in macroscopic assemblies, while their low absorption in the visible spectrum facilitates studying LCs at exceptionally high concentrations. Here, we investigate the behavior of BNNTs in aqueous solutions stabilized by the surfactant sodium deoxycholate (SDC), examining the effect of BNNT purity and BNNT−SDC concentrations on lyotropic LC formation. We disperse up to 15wt% BNNT in SDC solutions and use polarized light microscopy to detail the transition from an isotropic state to a biphasic regime, where isotropic and nematic domains coexist due to phase separation, to a single fully nematic phase. Cryogenic electron microscopy provides direct evidence of BNNT alignment within nematic domains. Our results show that enhanced depletion-induced attractions, driven by increased surfactant concentration, lower the threshold concentration of BNNT required to form nematic domains. In contrast, low surfactant concentrations relative to BNNT result in insufficiently coated nanotube surfaces, leading to poor dispersions and BNNT aggregation. Additionally, we fabricate well-aligned BNNT films from aqueous LC dispersions. Our findings advance the understanding of BNNT LCs, offering insight into controlling their orientation and highlighting their potential for high-performance materials.

Joe Khoury

Toward Trustworthy Autonomous Science: A Two-Year Community Roadmap

One year ago, the AISLE roadmap argued that autonomous laboratories operated as isolated islands and proposed a grassroots network organized around five critical dimensions. The field has since moved faster than that roadmap anticipated: multi-agent systems have produced experimentally validated hypotheses, self-driving laboratories have grown more interoperable and orchestrated, reasoning-trained and domain foundation models have raised the capability ceiling, and the Genesis Mission has placed autonomous experimentation at the center of U.S. federal science strategy, with industry emerging as a primary actor. Progress has met a sobering counter-current, including a corrected flagship discovery result, benchmarks showing that agents which rival experts on closed-ended questions still complete only a fraction of open-ended research, and fabricated citations surfacing at leading venues. We read this as the defining tension of the field: producing a candidate discovery is no longer the hard part, but verifying it is, and this asymmetry now limits autonomous science more than raw model capability. Accordingly, we update the roadmap around seven dimensions, revisiting the original five and elevating two former cross-cutting concerns, trust, verification, and reproducibility, and safety, security, and governance, to first-class status. We assess the original milestones (M1 through M14) as achieved, partially achieved, reframed, or open, add four new milestones (M15 through M18) for the elevated dimensions, and scope the path forward to a two-year horizon, with the first year concentrating on interfaces, protocol adoption, and the scaffolding of verification, and the second targeting federation, zero-trust coordination, and governance. Throughout, we position the grassroots network as the interoperability fabric that lets national programs, international initiatives, and commercial platforms connect rather than re-silo.

99 GENERAL AND MISCELLANEOUS

Selecting an Encapsulant for an Aerospace Superconducting Machine

Achieving larger benefits from electrified propulsion in single aisle aircraft (the largest commercial aircraft market segment) necessitates that a significant fraction of their 20 MW or greater propulsion system be electrified. These aircraft would require up to 10-20 of today’s state-of-the art machines, which have been demonstrated up to 2.5 MW for aerospace use, and could benefit further from 5 MW+ designs. However, when conventionally cooled, high power density machines still produce a significant amount of waste heat, translating into heavy thermal management and detracting from system benefits. Highly efficient fully superconducting electric machines (or those with a cryogenically cooled, high purity copper or aluminum stator) are a possible solution but have multiple barriers to overcome. One such barrier is the durability of superconducting windings. Superconductors are typically brittle, and encapsulants used to hold windings in place are a significant source of stress due to mismatches in coefficient of thermally induced contraction between ambient and operational temperatures (20 to 77 K). Lack of compliance between the materials at operational temperatures also adds significant stress. These encapsulants also form a thermal barrier that can be detrimental to cooling the superconductors. This work describes an initial study of commercially available encapsulants as it relates to superconducting machine applications, along with initial modeling of thermal stress in superconducting windings for a superconducting or cryogenically cooled stator in a 5 MW electric machine.

encapsulant

Selecting an Encapsulant for an Aerospace Superconducting Machine

Achieving larger benefits from electrified propulsion in single aisle aircraft (the largest commercial aircraft market segment) necessitates that a significant fraction of their 20 MW or greater propulsion system be electrified. 5 to possibly 20 of the MW-scale electric machines investigated by NASA would be required to meet this need. Approximately 10-20 of NASA’s MW-scale electric machines would be required to reach the necessary power levels. Therefore, electric machines of 5 MW or greater are of interest. However, conventionally cooled high power density MW-scale electric machines still produce a significant amount of waste heat, which makes obtaining these power levels problematic. Highly efficient fully superconducting electric machines (or those with a cryogenically cooled, high purity copper or aluminum stator) are a possible solution but have multiple barriers to be overcome. One such barrier is the durability of superconducting windings. Superconductors are typically brittle, and encapsulants used to hold windings in place are a significant source of stress because of the mismatches in coefficient of thermal expansion at temperatures between room temperature and operational temperatures (20 to 77 K). These encapsulants also form a thermal barrier that can be detrimental to cooling the superconductors. This paper describes an initial study of commercially available encapsulants as it relates to superconducting machine applications along with initial modeling of thermal stress in superconducting windings for a superconducting or cryogenically cooled stator in a 5 MW electric machine.

encapsulant