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DOE OSTI2026

Disorder-induced spin-cluster magnetism in a doped kagome spin liquid candidate

The search for new quantum spin liquid materials relies on systems with strong frustration such as spins on an ideal kagome lattice. However, lattice imperfections can have substantial effects which are as yet not well understood. In recent work, the two-dimensional kagome system YCu 3 ⁢(OH) 6 ⁢[(Cl 𝑥 ⁢Br (1−𝑥) ) 3−𝑦 ⁢(OH) 𝑦 ] has emerged as a leading candidate hosting a Dirac spin liquid which appears to survive at least for 𝑥 < 0.4, associated with alternating-bond-hexagon (ABH) disorder. Here in magnetic samples with 𝑥 = 0.58, 𝑦 = 0.1 we report unusual in-plane ferromagnetic canting (FM) of the in-plane antiferromagnet (AFM), with an unusually wide regime of short-ranged order, and propose theoretical models to explain this behavior. First, we show that Kitaev-type exchanges naturally arise on the kagome lattice to second order in the known Dzyaloshinskii-Moriya exchanges, and that these interactions can produce the unusual in-plane FM canting from antichiral AFM. Second, we propose a phenomenological model of weakly FM-canted spin clusters to describe the short-ranged regime and analyze quantum fluctuations in an ABH toy model to show how ABH disorder can stabilize this regime. Here, the combination of experimental observation and theory suggests that kagome-Kitaev interactions and ABH disorder are necessary for describing the magnetic fluctuations in this family of materials, with potential implications for the proposed proximate spin liquid phase.

Seth, Arnab [Georgia Institute of Technology, Atla↗

DOE OSTI2026

Direct Observation of Vortex Liquid Droplets in the Iron Pnictide Superconductor CaKFe 4 As 4 at 0.5T c

Type-II superconductors under magnetic fields remain in a quantum-coherent, non-dissipative state as long as vortices are pinned. Dissipation emerges when vortices depin, a process often driven by thermal fluctuations and commonly associated with a melting transition from a vortex solid to a vortex liquid. Macroscopic experiments almost always observe this transition close to the superconducting critical temperature 𝑇 𝑐 . However, how the vortex solid responds to thermal fluctuations at the scale of individual vortices, far below the melting transition, remains largely unexplored. Here, we use scanning tunneling microscopy (STM) to directly visualize vortices in the iron-based superconductor CaKFe 4 ⁢As 4 (𝑇 𝑐 ≈35 K ). We observe the formation of vortex liquid droplets—spatially localized regions where vortices exhibit strong thermal fluctuations—at temperatures as low as 0.5 𝑇 𝑐 . These results demonstrate that the onset of dissipation at the local scale occurs at temperatures significantly below 𝑇𝑐 in type-II superconductors, revealing a previously unrecognized regime of vortex dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRSDate not supplied

Characterization Testing of a 20 Kelvin Cryocooler for Space Applications

Future NASA space exploration missions will require long-duration storage and liquefaction of cryogenic liquids, enabled by active cooling provided by cryocoolers. Recent gap analyses of Lunar and Mars transportation systems have identified 20 K-class cryocoolers as a critical enabling technology for chemical and nuclear thermal propulsion architectures using liquid hydrogen propellant. To address this technology gap, NASA has undergone the development of a high-efficiency, high-capacity 20 K cryocooler via an SBIR partnership with Creare. While the January 2025 testing demonstrated functionality and compliance with contractual requirements, the objective of the NASA-led characterization effort was to generate a dataset for supporting future mission designs across a broader operating envelope, including off-nominal conditions. The cryocooler demonstrated strong performance, achieving a peak coefficient of performance of 17.68% relative to Carnot efficiency and a maximum lift capacity of 24.4 W at 21 K. Overall, the results confirm that the 20 W 20 K cryocooler provides a flexible range of capabilities to enable zero boil-off storage of liquid hydrogen for future Lunar and Mars missions. The data collected provide a strong foundation for model validation and future system design efforts.

Cryocooler↗

NASA NTRSDate not supplied

Characterization Testing of a 20 Kelvin Cryocooler for Space Applications

Zero boil-off↗

DOE OSTI2026

Spectroscopic Demarcation of Emergent Photons and Spinons in a Dipolar-Octupolar Quantum Spin Liquid

The identification of fractionalized excitations in quantum spin liquids (QSLs) remains a central challenge in condensed matter physics. In dipolar-octupolar (DO) pyrochlores, such as Ce 2⁢ Zr 2 ⁢O 7 , the candidate 𝜋-flux quantum spin ice (QSI) state is predicted to host both gapless emergent photons and a continuum of spinons. However, resolving these modes at zero field is complicated by their spectral overlap and the presence of nonmagnetic scattering near zero energy. Here, in this study, we report neutron scattering experiments on Ce 2 ⁢Zr 2 ⁢O 7 under a magnetic field along the [1, 1, 1] direction. In contrast to previous unpolarized studies at zero field that relied on high-temperature subtraction, we use a same-temperature high-field subtraction protocol to isolate the photon and spinon modes. Leveraging the selective coupling of the magnetic field to the dipolar degrees of freedom, we demonstrate the spectroscopic demarcation of these excitations. We observe that weak fields (≈ 0.15 T) suppress the low-energy photon weight while leaving the high-energy spinon continuum robust, albeit hardened. Our results, supported by gauge mean-field theory and exact diagonalization calculations, provide strong evidence for the 𝜋-flux QSI state and introduce a powerful field-tuning protocol for investigating DO-QSLs.

Gao, Bin [Rice University, Houston, TX (United Sta↗

DOE OSTI2026

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)↗

DOE OSTI2026

Numerical Investigation of Fluid Flow and Space Charge in Liquid Argon Time Projection Chamber (LArTPC) Detectors

Overview This project focused on developing a high-fidelity numerical framework to simulate the multiphysics environment within Liquid Argon Time Projection Chamber (LArTPC) detectors. The primary objective was to characterize the complex interplay between ion transport, background fluid dynamics, and electric field distortions—a critical factor for the calibration and sensitivity of next-generation High Energy Physics experiments, such as DUNE. Technical Achievements The research successfully yielded a hybrid numerical space-charge solver utilizing a Cell-Centered Finite Volume Method (FVM) for ion transport coupled with a Finite Element Method (FEM) for electric potential. Key accomplishments include: • Verification & Validation: The 3-D solver was rigorously verified against 1-D analytical solutions, demonstrating high numerical accuracy in predicting space-charge-induced field deviations. • Field Distortion Analysis: 3D simulations revealed that space charge effects introduce significant non-uniformities in the electric field. Critically, the research identified that background LAr flow velocities, when comparable to ion drift velocities, markedly exacerbate these distortions. • Technology Transfer: The resulting source code and comprehensive user manuals were successfully transferred to collaborators at Fermilab, providing a portable computational tool for the broader scientific community. Challenges and Future Directions While the space-charge solver achieved all performance metrics, the integrated fluid dynamics modeling encountered convergence challenges stemming from the extreme 200-fold disparity in length scales between the detector's 37 mm inlet pipes and the 8-meter global domain. To address this, the project has identified a clear technical pivot toward Hierarchical Geometric Adaptive Mesh Refinement (HG-AMR). By implementing an h-type refinement strategy with hanging nodes, future iterations of this solver will be capable of resolving localized high-gradient inlet flows without the prohibitive computational costs of regular grids. This advancement, combined with data-driven uncertainty quantification based on MicroBooNE-style calibration, will enable the precise modeling of detector responses in large-scale cryogenic environments where direct measurement remains difficult. Impact The computational tools developed under this award provide a foundation for enhancing the energy resolution and spatial reconstruction of noble liquid detectors. By bridging the gap between theoretical fluid dynamics and experimental field calibration, this work supports the DOE’s mission to advance the frontiers of neutrino physics and dark matter detection.

42 ENGINEERING↗

NASA NTRS1994

Core-Centering of Compound Drops in Capillary Oscillations: Observations on USML-1 Experiments in Space

Using the existing inviscid theories, an attempt is made to explain the centering of the oscillating liquid shell. Experiments on liquid shells and liquid-core compound drops were conducted using acoustic levitation, in a low-gravity environment during a Space Shuttle flight. It was observed that their inner and outer interfaces became concentric when excited into capillary oscillations. Using the existing inviscid theories, and attempt is made to explain the centering of the oscillating liquid shell. It is concluded that viscosity needs to be considered in order to provide a realistic description of the centering process.

T G Wang↗

DOE OSTI2026

Atomic Evolution of Hydrogen Intercalation Wave Dynamics in Palladium Nanocrystals Revealed by Liquid-Phase Transmission Electron Microscopy

Solute-intercalation-induced phase separation creates spatial heterogeneities in host materials, a phenomenon ubiquitous in batteries, hydrogen storage, and other energy devices. Despite many efforts, probing intercalation processes at the atomic scale has been a significant challenge. By utilizing liquid-phase transmission electron microscopy (TEM), we study hydrogen (de)intercalation in palladium nanocrystals as a model system and have achieved unprecedented atomic-resolution imaging of hydrogen intercalation wave dynamics. Our observations reveal that intercalation wave mechanisms, instead of shrinking-core mechanisms, prevail at ambient temperature for palladium nanocubes ranging from ∼60 nm down to ∼10 nm. Systematic image analysis uncovers the atomic evolution of the hydrogen intercalation wave, transitioning from nonplanar and inclined boundaries to those closely aligned with {100} planes. Our kinetic Monte Carlo simulations demonstrate that the observed intercalation wave dynamics correspond to sorption pathways minimizing the lattice mismatch strain at the phase boundary. In conclusion, unveiling the atomic intercalation pathways holds profound implications for engineering intercalation-mediated devices and advancements in energy sciences.

Lee, Daewon [Lawrence Berkeley National Laboratory↗

DOE OSTI2025

Unveiling the lithium-ion transport mechanism in Li{sub 2}ZrCl{sub 6} Solid-State Electrolyte {ital via} deep learning-accelerated molecular dynamics simulations.

Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolytes for next-generation all-solid-state batteries. The unique crystal structure of LZCs plays a crucial role in facilitating lithium-ion mobility, which further affects the electrochemical performance. To understand the underlying mechanism governing ion transport, we employed deep learning-accelerated molecular dynamics simulation on Li2ZrCl6 (trigonal alpha- and monoclinic beta-LZC), focusing specifically on the zirconium coordination environment. Our results reveal that disordered alpha-LZC exhibits the highest ionic conductivity, while beta-LZC demonstrates significantly lower conductivity, closely aligning with experimental findings. The study confirms that across all phases, lithium migration proceeds via the site-to-site hopping mechanism, where variations in site residence times critically impact the overall ionic conductivity. In alpha-LZCs, lithium ions prefer to anisotropically diffuse across interlayers as the result of a lower energy barrier, driven primarily by collective diffusion. In contrast, lithium ions in beta-LZC primarily isotropically diffuse within the intralayer, hindered by higher energy barriers and determined by individual diffusion. The variation in ZrCl6 2- octahedral unit softening, induced by the specific layered arrangement of zirconium atoms, emerges as a critical determinant of the energy barriers across the LZC phases. These atomic-scale insights into the transport processes provide valuable guidance for the rational design and optimization of LZCs-based electrolytes, accelerating their practical application in advanced energy storage technologies.

Guo, Hanzeng↗

DOE OSTI1961

Laboratory Development of a Pot Calcination Process for Converting Liquid Wastes to Solids

Simulated Darex, Purex, Thorex, and TBP-25 wastes were batch-evaporated and calcined to solids. The weight of residue was decreased to ~ 8% of the original waste for Darex, to ~ 4% for Purex, to ~ 2% for Thorex, and ~ 7% for TBP-25 by calcination to 1200°C. Semicontinuous evaporation and calcination to solids at 900°C of Darex and Purex wastes gave volume reduction factors of ~ 8 and 7 to 10, respectively. The nitrate contents of the residues from batch calcination to 800°C were from ~ 0.07 to 0.5 wt % while the nitrate contents of the residues from semicontinuous calcination to 900°C were from ~ 0.1 to 0.7 wt %. Sodium, calcium, and magnesium additives to Purex waste decreased the percent of sulfate volatilized into the condensate from ~ 30% to <0.5%. Replacement of the atmosphere above the waste with nitric oxide decreased ruthenium volatility from 50 to 60% of that originally present in Purex waste to 0.5 to 3.5%. The thermal conductivities for the calcined wastes, measured in situ, were all >0.1 Btu/hr ft °F at ~ 400°F and increased almost linearly with increasing temperature to >0.3 Btu/hr ft °F at ~ 1600°F in all cases studied.

052001* -- Nuclear Fuels-- Waste Processing↗

DOE OSTI1991

Pressure Safety Training (Rev. 8)

This is the workbook for the Pressure Safety Training Course. It is intended as a reference manual and guide for all work with pressurized liquids or gases. This workbook contains basic references to make work with pressure safer. It is intended to supplement classroom instruction, rather than serve as a definitive text on pressure. Earlier versions of the manual were intended specifically for training at Lawrence Livermore National Laboratory. This revision is a generic version intended for training at all DOE facilities. The information in the Standards chapter is from the LLNL Health and Safety Manual. It is included here as a convenient reference and guide for developing similar standards at your own facility.

42 ENGINEERING↗

NASA NTRS2015

Numerical Modeling of the Transient Chilldown Process of a Cryogenic Propellant Transfer Line

Before cryogenic fuel depots can be fully realized, efficient methods with which to chill down the spacecraft transfer line and receiver tank are required. This paper presents numerical modeling of the chilldown of a liquid hydrogen tank-to-tank propellant transfer line using the Generalized Fluid System Simulation Program (GFSSP). To compare with data from recently concluded turbulent LH2 chill down experiments, seven different cases were run across a range of inlet liquid temperatures and mass flow rates. Both trickle and pulse chill down methods were simulated. The GFSSP model qualitatively matches external skin mounted temperature readings, but large differences are shown between measured and predicted internal stream temperatures. Discrepancies are attributed to the simplified model correlation used to compute two-phase flow boiling heat transfer. Flow visualization from testing shows that the initial bottoming out of skin mounted sensors corresponds to annular flow, but that considerable time is required for the stream sensor to achieve steady state as the system moves through annular, churn, and bubbly flow. The GFSSP model does adequately well in tracking trends in the data but further work is needed to refine the two-phase flow modeling to better match observed test data.

Temperature Sensors↗

DOE OSTI2026

Case Study of Integrating High-Temperature Heat Pump with LiBr-H2O Absorption Chiller for Data Center Liquid Cooling

Data centers (DCs) are physical infrastructures that support artificial intelligence workloads. The rapid growth of artificial intelligence is putting substantial pressure on the US power grid. Most of electricity consumed by IT equipment, accounting for 50%-60% of total DC power, ultimately becomes waste heat. This heat is dissipated by DC’s cooling facilities, accounting for an additional 30%-40% of total DC power. Recovering and repurposing this waste heat offers a significant opportunity to enhance energy efficiency and reduce operating costs of DCs. One potential pathway is converting heat to cold using thermal-driven absorption chillers, therefore, reducing the power consumption in DC cooling facilities. Existing studies mainly demonstrate the technical and economic feasibility of repurposing DC’s waste heat for cooling applications but provide limited technical details on how to integrate the thermal-driven absorption chillers with DC cooling systems. In addition, the low-grade waste heat available from DCs must be upgraded to higher temperatures suitable for absorption chillers. This paper presents a case study on integrating high-temperature heat pumps with a LiBr-H2O absorption chiller to use DC waste heat for cooling. A thermodynamic model of single-effect, LiBr-H2O absorption chiller and an empirical model of high-temperature heat pumps were built. The case study considers ASHRAE W17 liquid-cooled DC, with facility service water supplied at 17.0℃ and returned at 25.3℃. The thermal behaviors of absorption chiller components were predicted for the generation temperature ranging from 75.0℃ to 115.0℃. Based on the available waste heat in the integrated system, two waste heat recovery strategies were evaluated: a facility service water-based strategy and cooling water-based strategy. Results indicated that the cooling water-based strategy achieves higher Coefficient of Performance (COPs) than the facility service water-based strategy. The relatively low cooling COPs of single-effect LiBr-H2O absorption chillers could be offset by high heating COP of high temperature heat pumps. The maximum cooling COP of absorption chiller and the overall COP of integrated systems occur at lower generation temperatures, but these conditions also yield lower cooling capacities. In practice, system operation should balance the trade-off between the COP and cooling capacity

Wang, Pengtao [ORNL] (ORCID:0000000214713429)↗

NASA NTRS2022

Cryogenic Spray Quenching of A Simulated Propellant Storage Tank Wall With Heat Transfer Enhancement By A Thin-Film Coating and Flow Pulsing in Microgravity

Human space exploration to the Moon, Mars, and possibly asteroids is NASA’s biggest challenge for the new millennium. One of the critical elements to this mission is the effective, sufficient, and reliable supply of cryogenic propellant fluids. Future lower-earth-orbiting (LEO) propellant fuel depots and human-carrying orbital transfer spacecraft flying to the moon and Mars will have to utilize the high thrust and high efficiency of liquid cryogenic chemical propulsion or nuclear thermal propulsion. Efficient in-space tank-to-tank propellant transfer (propellant fuel depot to orbital transfer spacecraft) of cryogenic propellants is an enabling technology for the planned Crewed Mars Surface Mission. The transfer of cryogenic propellants in space, however, has yet to be accomplished, solely due to the unavailability of cryogenic quenching heat transfer data during chilldown (quenching) and filling of the propellant receiver tank in reduced gravity and microgravity as liquid propellant cannot be stored in a required liquid state until the tank is quenched down to the liquid temperature. Therefore, highly energy efficient thermal-fluid management breakthrough concepts to conserve and minimize the cryogen consumption during propellant transfer have become the focus of research and engineering development, especially for the deep-space mission to Mars. In this paper, we introduce such concepts and demonstrate their feasibility for cryogenic storage tank chilldown in parabolic flights under a simulated space microgravity condition. In order to maximize the storage tank chilldown efficiency for the least amount of cryogen consumption, the technology adopted included cryogenic spray cooling, Teflon thin-film coating of the simulated tank surface, and spray flow pulsing. The completed flight experiments successfully demonstrated that spray cooling is the most efficient cooling method for the tank chilldown in microgravity. In microgravity, Teflon coating alone can improve the efficiency up to 72% and the efficiency can be improved up to 59% by flow pulsing alone. However, Teflon coating together with flow pulsing was found to substantially enhance the chilldown efficiency in microgravity for up to 113%.

spray↗

NASA NTRS1995

Transient Studies of G-Induced Capillary Dryout and Rewet

A transient, one-dimensional numerical code is developed to model the liquid motion in an axial groove with square cross section. Axial variation in liquid level, shear stress and heat transfer between the groove wall and the liquid, evaporation and transient body forces are accounted for in the model. Dryout and rewet of the groove are allowed; the front location is determined numerically using conservation of mass and linear extrapolation. Several numerical test results are presented and discussed.

M K Reagan↗

NASA NTRSDate not supplied

Numerical Predictions of the Flow and Heat Transfer Characteristics in the Film Boiling Regime During Tube Quenching

Cryogenic fluid management plays a major role in refueling of spacecrafts while in space for NASA’s future human space exploration missions. Due to the low boiling points of cryogens, storage, transport and handling of these fluids becomes difficult and may result in inefficient operation of the space propulsion systems. For refueling applications in space, the cryogenic fluids have to be transported across different locations and hence, the transfer of cryogenic fluids through pipes become critical. The cryogenic chill-down process is characterized by different regimes of flow boiling, viz., film boiling, transition boiling and nucleate boiling. The prediction of these regimes in a single CFD framework available in the literature is challenging and the present work attempts to address this challenge by initially modeling the film boiling regime accurately and to incorporate an user-defined function for transition and nucleate boiling at a later stage. Hence, the aim of the present work is to numerically model and validate the film boiling regime of the chilldown curve for liquid nitrogen experiments available in the literature. The validations are carried out at different inlet mass fluxes to have a robust simulation methodology. A dispersed mixture model is used to predict the vapor-liquid interface dynamics with the phase change phenomena modeled using the Lee model.

line chilldown↗

DOE OSTI2026

Phase Stability and Electrochemical Performance of La-Site-Doped Li6La3Zr0.5Nb0.5Ta0.5Hf0.5O12 High-Entropy Garnets

We investigate La-site substitution in the high-entropy garnet Li6La3Zr0.5Nb0.5Ta0.5Hf0.5O12 (LLZNTH) using Ba2+, Sr2+, and Sm3+ to elucidate how dopant governs phase stability, Li-site distribution, and electrochemical behavior. X-ray diffraction shows that Sr2+ is incorporated homogeneously into the garnet lattice, whereas the larger Ba2+ and smaller Sm3+ ions partially exceed the structural tolerance, generating secondary phases. Nevertheless, the Sm-doped composition (x = 0.05) exhibits the highest room-temperature ionic conductivity (2.7 × 10–4 S cm–1). Neutron powder diffraction reveals that Sm substitution drives a redistribution of Li+ from the tetrahedral 24 d sites into the higher-mobility 96 h positions, enhancing the connectivity of the three-dimensional Li-ion migration network. A Sm-doping series (x = 0.01–0.05) further shows that only sufficiently high Sm levels induce this redistribution, whereas lower concentrations retain Li arrangements similar to the undoped garnet. Critical current density measurements demonstrate that La-site dopants also influence interfacial stability against Li metal, underscoring a trade-off between bulk transport enhancement and mechanical robustness. Collectively, these findings reveal that in high-entropy garnets improved ionic conductivity can originate not only from phase-pure structures but also from targeted modification of the Li sublattice, even when accompanied by secondary phases, offering a compositional design principle for garnet electrolytes.

Li, Chang [Mechanical Engineering, School of Scien↗