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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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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

SoLID Program at JLab

An overview of the Solenoidal Large Intensity Device (SoLID) and its scientific program will be given in this talk. SoLID is a spectrometer/detector system proposed to exploit the full potential of the Jefferson Lab (JLab) 12 GeV energy upgrade. SoLID will push the limit of luminosity frontier in hadronic physics with its unique capability to handle very high rates with large acceptance under high luminosity (1037-39/cm2/s). A rich and vibrant scientific program has been developed for SoLID, including but not limited to the precision study of the 3d nucleon structure in both momentum space using Semi-Inclusive Deep Inelastic Scattering (SIDIS) and coordinate space using Deep Virtual Exclusive Reactions (DVER), probing physics beyond the Standard Model with Parity Violating Deep Inelastic Scattering (PVDIS), and investigating the gluonic field contribution to the proton structure and proton mass via J/¿ threshold production. The SoLID collaboration has developed a robust, low risk and flexible conceptual design, with a base line design capable of accomplishing its scientific goals and flexibility to adopt the cutting-edge technology. Detector subsystems have been tested with prototypes in realistic high luminosity conditions and are demonstrated to function well under extremely challenging environment to satisfy the requirements of planned experiments.

Chen, Jian-Ping [Thomas Jefferson National Acceler↗
DOE OSTI2024

Nasicon dual ion conductors for all solid-state batteries

A super ion conductor composition is disclosed. The super ion conductor composition has the general formula: A 1+x M x/2 Zr 2−x/2 (PO 4 ) 3 , where each A is independently Na or Li, M is Mn or Mg, and subscript x is from 0.5 to 3. A solid electrolyte comprising the super ion conductor composition, and a method of preparing the solid electrolyte, are also disclosed. The method comprises combining a zirconium compound, a manganese or magnesium compound, a sodium compound, and a phosphate compound to give a mixture; and calcining the mixture to give the super ion conductor composition, thereby preparing the solid electrolyte. Functional materials and devices comprising the super ion conductor composition are also disclosed, including a catholyte composition, an ion conducting solid electrolyte membrane, as well as all-solid-state batteries.

Amin, Ruhul↗
DOE OSTI2025

Low-temperature liquid-phase synthesis of lithium thiophosphate-borohydride solid electrolyte with high room-temperature ionic conductivity

Embodiments relate to a scalable liquid-phase synthesis technique of lithium thiophosphate-borohydride solid electrolytes with high ionic conductivity at room temperature and its use in all-solid-state lithium batteries. A battery comprises an anode, a cathode, and a solid electrolyte layer positioned between the anode and the cathode. The liquid-phase synthesized solid electrolyte material can be used as the solid electrolyte layer or incorporated into anodes or cathodes.

Wang, Donghai [Pennsylvania State Univ., Universit↗
DOE OSTI2024

Tailoring Binder Molecular Weight to Enhance Slurry-Cast NMC Cathodes for Sulfide Solid-State Batteries

We demonstrate for the first time the critical influence of binder molecular weight on the performance of slurry-cast lithium nickel manganese cobalt oxide (NMC) cathodes in sulfide-based all-solid-state batteries (SSBs). SSBs are increasingly recognized as a safer and potentially more efficient alternative to traditional Li-ion batteries, owing to the superior ionic conductivities and inherent safety features of sulfide solid electrolytes. However, the integration of high-voltage NMC cathodes with sheet-type sulfide solid electrolytes presents significant fabrication challenges. Our findings reveal that higher molecular weight binders not only enhance the discharge capacity and cycle life of these cathodes but also ensure robust adhesion and structural integrity. By optimizing binder molecular weights, we effectively shield the active materials from degradation and mechanical stress, significantly boosting the functionality and longevity of SSBs. These results underscore the paramount importance of binder properties in advancing the practical application of high-performance all-solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2026

Revealing the Roles of CuF 2 /NiF 2 Incorporation in the Electrochemical Performance of FeF 3 Cathodes in Solid‐State Batteries

Mixed metal fluorides have been considered as a promising candidate to lower the voltage hysteresis of conversion-type iron fluoride cathodes, but their cycling stability is limited due to transition metal dissolution and interphase growth in liquid electrolyte batteries. Here, we study the role of incorporating CuF 2 and NiF 2 in the electrochemical performance of FeF 3 cathode in halide-based solid-state batteries to test whether we can transfer the kinetic benefit of low voltage hysteresis to solid-state batteries while using solid electrolyte to eliminate transition metal dissolution and stabilize the interphase. Synchrotron X-ray absorption spectroscopy results indicated the redox reactions are attributed to Cu 0 /Cu + and Fe 0 /Fe 2+ in 25CuF 2 -75FeF 3 and Ni 0 /Ni 2+ and Fe 0 /Fe 3+ in 10NiF 2 -90FeF 3 . While no apparent improvement in electrode kinetics can be observed, the incorporation of CuF 2 and NiF 2 can largely improve the cycling stability of FeF 3 cathodes. In conclusion, the results demonstrate the advantages of using solid-state concept to improve the cycling stability of conversion-type cathodes.

25 ENERGY STORAGE↗
DOE OSTI2026

All‐Solid‐State Batteries With Mechanically Stable Interfaces Consisting of a Zero‐Strain Cation‐Disordered Rocksalt Cathode

Interface stabilization is critical to the development of working all‐solid‐state batteries. Rigid cathode/solid electrolyte interfaces often disintegrate due to anisotropic volume change of cathode‐active materials, resulting in irreversible capacity loss. Herein, we demonstrate that Li 1.211 Mo 0.467 Cr 0.3 O 2 (LMCO), a pioneering cation‐disordered rocksalt oxide (DRX) cathode that has intrinsically small volume change upon lithium intercalation, can be integrated with a thiophosphate‐based solid electrolyte for all‐solid‐state batteries. Interface stability of the all‐solid LMCO cell was investigated by electrochemical impedance spectroscopy, X‐ray micro‐computed tomography, and electron microscopy. Since LMCO was initially synthesized as a layered phase exhibiting a large volume change, interface disintegration can be observable in the early cycles. As layered LMCO phase‐transformed into DRX LMCO in subsequent cycles, reintegration of the interfaces occurs within a pressurized cell as a result of its zero‐stain behavior. Consequently, the DRX LMCO cathode maintains interface integrity, and thus electrical wiring, over an extended number of cycles, leading to improved capacity retention with small internal cell resistance.

DRX↗
DOE OSTI2025

Probing the Impact of Vacancy Diffusion on Void Dynamics at the Lithium Metal–Solid Electrolyte Interface

Lithium (Li) metal-based solid-state batteries (SSBs) are considered promising candidates for next-generation energy storage due to their superior energy density and enhanced safety compared to conventional Li-ion systems. However, their practical application is limited by challenges such as void formation at the Li-solid electrolyte (SE) interface, which disrupts ion transport and accelerates interfacial degradation. This work investigates how the coupled effects of electro-dissolution kinetics and surface diffusion at the Li metal surface govern the evolution of interfacial morphology during stripping. This work examines the influence of three distinct surface diffusion modes, which are terrace diffusion, step diffusion, and interlayer diffusion, on maintaining interfacial stability. In addition, how the dominant surface diffusion mechanism can overcome the contact loss due to high reaction kinetics is explored. Furthermore, the roughness of the Li metal anode surface is quantified, and the influence of different diffusion mechanisms on the evolution of the dynamic solid–solid interface is examined. The critical role of temperature in enhancing Li surface diffusivity and expanding the regime of stable contact is highlighted. By identifying distinct regimes of interface stability, this study analyzes how non-uniform electrochemical dynamics dictate void morphology evolution and interfacial contact. These insights offer guiding principles for engineering robust Li–SE interfaces in SSBs.

lithium metal anode↗
DOE OSTI2025

A Poromechanical Framework for Internal Interactions Induced by Solid Inclusions

The framework of poromechanics is generalized to simulate the multiscale behavior of porous media subjected to internal loadings stemming from the growth of solid inclusions. This generalization is designed to enable the study of anisotropic internal stress generation from solid growth within the pores, while recovering isotropic fluid-induced loading as a particular case. For this purpose, a mathematical strategy to define constitutive tensors in a thermodynamically consistent form is proposed, thus offering new opportunities for determining the poromechanical properties of a porous solid through advanced experimentation or micromechanical models. The framework is specialized by means of established elastic solutions for single pore–matrix interaction, as well as through homogenization schemes considering the interaction among congruent pores. In particular, the second Eshelby solution and the Tanaka–Mori–Benveniste homogenization scheme are used to derive a microporoelastic model. At an elemental scale, the model is tested under mixed control conditions by replicating different scenarios of geomaterial testing. In addition, the model characteristics are outlined with reference to inelastic microscopic loadings replicating chemo-mechanical forcing, such as expansive crystal formation. Through a series of parametric analyses, it is shown that the microstructure of the pores significantly influences the properties of porous media. Most notably, it is shown that the effects of a solid forming within the pores depend in a highly nonlinear fashion on the constitutive characteristics of the inhomogeneities and can therefore not be readily quantified or predicted without models capturing the diverse multiscale interactions among pores, inhomogeneities, and matrix.

chemomechanics↗
DOE OSTI2025

Optimizing the impacts of solid additives on the operational stability and processing reliability of organic solar cells

Previous reports have revealed that by leveraging solid additives, organic solar cells (OSCs) can surpass the device’s performance beyond the intrinsic limitations of host photoactive molecules, a remarkable advancement. However, the impacts of more complex interactions introduced by solid additives are not yet well understood. Herein, optimizing the fabrication process based on the traditional efficiency-guided approach fails to represent the ideal and most practical devices. In particular, achieving superior operational stability while minimizing the device performance scattering was found to require processing solvent evaporation to be synchronized with the volatility of the chosen solid additive. However, this may be challenging since most organic photoactive materials display excellent efficiencies only with selected solvents. Accordingly, this work also demonstrates the potential of dual and complementary solvents selection, consisting of low boiling point (primary) and high boiling point (secondary). This strategy allows for the suppression of any potential trade-offs in efficiency. Meanwhile, the operational stability and precision of device performance are substantially enhanced. Additionally, solid additives have demonstrated that the singlet exciton dissociation rate does not limit the free charge generation yield. Finally, these findings are expected to reformulate OSC device fabrication strategies towards more practical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tuning collective anion motion enables superionic conductivity in solid-state halide electrolytes

Halides of the family Li 3 MX 6 (M = Y, In, Sc and so on, X = halogen) are emerging solid electrolyte materials for all-solid-state Li-ion batteries. They show greater chemical stability and wider electrochemical stability windows than existing sulfide solid electrolytes, but have lower room-temperature ionic conductivities. Here, in this work, we report the discovery that the superionic transition in Li 3 YCl 6 is triggered by the collective motion of anions, as evidenced by synchrotron X-ray and neutron scattering characterizations and ab initio molecular dynamics simulations. Based on this finding, we used a rational design strategy to lower the transition temperature and thus improve the room-temperature ionic conductivity of this family of compounds. We accordingly synthesized Li 3 YCl x Br 6-x and Li 3 GdCl 3 Br 3 and achieved very high room-temperature conductivities of 6.1 and 11 mS cm -1 for Li 3 YCl 4.5 Br 1.5 and Li 3 GdCl 3 Br 3 , respectively. These findings open new routes to the design of room-temperature superionic conductors for high-performance solid batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Thermal activation signatures of the Anderson insulator and the Wigner solid forming near ν = 1

When interactions overcome disorder, integer quantum Hall plateaus support topological phases with different bulk insulators. In the center of the ν = 1 plateau the bulk is an Anderson-type insulator, while in the flanks of the plateau the bulk is the integer quantum Hall Wigner solid. We find that the activation energy along the ν = 1 plateau exhibits a very dramatic nonmonotonic dependence on the magnetic field, a dependence that is strongly correlated with the stability regions of the two phases. Furthermore, the activation energy has an unexpected minimum at the boundary between the Anderson insulator and the Wigner solid. Our findings constrain the theory of the integer quantum Hall Wigner solid, determine its thermodynamic properties, and reveal unusual behavior at the boundary between the Anderson insulator and the Wigner solid. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A Simple, Scalable Large Deformation Solid Mechanics Implementation in the MOOSE Framework

This article describes a large deformation solid mechanics solver implemented as part of the freely available and open source MOOSE finite element simulation framework. The article documents the choices made in developing the solid mechanics framework and describes novel formulations for the gradient operator and constitutive modeling framework made to simplify implementations of different coordinate systems, stabilized gradient operators, and different constitutive model inputs and outputs. In the process, the article describes a new formulation that casts objective integration of the Cauchy stress as a linear transformation of the small stress rate. Finally, the article presents key implementation details and examines the parallel efficiency of the solid mechanics solver implemented in MOOSE. The implementation retains a good weak scaling efficiency beyond 1,000 parallel processes. The article includes a discussion of the factors limiting the parallel efficiency of implicit, large deformation solid mechanics codes on current high-performance computers, with the main current limitation being the scalability of the algebraic multigrid methods used to solve the linearized equilibrium equations.

Applied computing → Computer-aided design↗
DOE OSTI2026

Plasticizer-Free Gradient-Crosslinked Polyurethane Electrolyte for Room-Temperature Solid-State Lithium Batteries

Polymer-based solid-state electrolytes are promising for next-generation lithium metal batteries, yet their limited ionic conductivity and mechanical stability at ambient conditions remain key challenges. Herein, we report a novel gradient crosslinked polymer electrolyte (PU/PUA/PU) synthesized via a sequential in situ UV-curing process that integrates a mechanically robust polyurethane acrylate (PUA) core with soft linear polyurethane (PU) interfaces. This all-solid membrane operates without any liquid plasticizer and the interfacial PU layers ensure low interfacial resistance and intimate electrode contact, while the PUA core provides enhanced dimensional stability and dendrite suppression. As a result, the gradient electrolyte delivers an impressive ∼2.6 × 10 −4 S cm −1 ionic conductivity at 25 °C (two orders of magnitude higher than conventional PEO) and remains electrochemically stable >5 V (vs Li + /Li). Structural analysis confirms the formation of a well-defined crosslinked network with suppressed crystallinity and expanded interchain spacing. Electrochemical impedance spectroscopy (EIS) and linear sweep voltammetry (LSV) further validate these properties. When applied in a Li||NMC811 cell, the PU/PUA/PU electrolyte delivers stable cycling with high capacity at both 60 °C and 25 °C, demonstrating its potential for room-temperature solid-state battery applications without reliance on plasticizers or heating. In conclusion, this gradient design offers a practical path toward ambient-condition operation of solid-state lithium batteries, providing a paradigm for overcoming the traditional trade-off between ionic conductivity and mechanical robustness.

25 ENERGY STORAGE↗
DOE OSTI2025

A quantitative figure of merit for battery SEI films and their use as functional solid-state electrolytes

As a key passivation film that governs battery operation, the solid electrolyte interphase (SEI) has long been credited for enabling high-performance batteries or blamed for their eventual death. However, qualitative descriptions of the SEI often found in the literature (e.g., “conductive,” “passivating”) highlight our incomplete understanding of this layer, where even the most basic properties foundational to SEI function remain difficult to measure. Here, we quantify SEI conductivities and SEI transference numbers using a separator-free Cu|SEI|Li architecture that treats the SEI as a functional solid-state electrolyte (SSE). We find that while any SEI property alone (e.g., electronic conductivity) is weakly correlated (R 2 < 0.67) with battery performance (e.g., Coulombic efficiency), a strong correlation (R 2 > 0.99) can be achieved by defining the “SEI cT number” as a product between the SEI transference number (T) and the ratio of SEI conductivities (c). Analogous to the thermoelectric figure of merit (i.e., zT ), SEI cT quantitatively benchmarks the holistic impact of SEI properties on battery performance and underscores the pitfalls of citing such properties in isolation. Perhaps most strikingly, we demonstrate that Li metal deposition and stripping at room temperature is possible in our separator-free Cu|SEI|Li cell, confirming that the SEI can function precisely as an SSE. Together, these results enrich our understanding of the SEI, not just as a passivation layer but as a functional structure that can potentially have important implications for solid-state batteries.

Science & Technology - Other Topics↗
DOE OSTI2025

A Cross‐Linked Flexible Metaferroelectrolyte Regulated by 2D/2D Perovskite Heterostructures for High‐Performance Compact Solid‐State Sodium Batteries

Abstract To address the issues of limited ionic conductivity and poor interface stability at room and low temperatures in solid‐state electrolytes, a robust intrinsic ferroelectrolyte or nanoferroelectrolyte strategy for engineering solid‐state flexible ferroelectric composite electrolytes utilizing strongly coupled intrinsic ion conducting 2D/2D sodium‐rich anti‐perovskite (NaRAP)/ferroelectric perovskite heterostructures is introduced. Herein, highly scalable PVDF‐based metaferroelectrolytes with Na 2.99 Ba 0.005 OCl/Ca 2 Na 2 Nb 5 O 16 − (CNNO − ) nanosheets into a ferroelectric poly(vinylidene fluoride‐co‐hexafluoropropylene) (PVDF‐HFP) matrix, through an in situ cross‐linking and spontaneous bridging method, for compact solid‐state sodium batteries (SSBs), are reported. Benefiting from unique well‐dispersed 3D ferroelectric coupled network and the Na 2.99 Ba 0.005 OCl/CNNO − ‐induced PVDF‐HFP ferroelectric β phase, the Na + flux is regulated, thereby inhibiting Na dendrite growth at the interface. Notably, the optimized PH‐5% NC metaferroelectrolyte exhibits rapid ion transport (1.11 × 10 −4 S cm −1 at 25 °C), a wide electrochemical window (> 4.8V), superior conformal mechanical compatibility, improved flexibility, good elasticity and flame retardancy. The solid‐state Na 3 V 2 (PO 4 ) 3 /PH‐5% NC/Na batteries present a stable cycling performance (remaining 56.4 mAh g −1 after 500 cycles at 1 C) even at 0 °C, potential for cost‐effective, safe, stable and compact SSB energy storage over 600 Wh L −1 , vastly surpassing 365 Wh L −1 of the current commercial sodium‐ion liquid‐electrolyte batteries.

Chemistry↗
DOE OSTI2025

Encapsulation Enhances the Quantum Coherence of a Solid‐State Molecular Spin Qubit

Spins within molecules benefit from the atomistic control of synthetic chemistry for the realization of qubits. One advantage is that the quantum superpositions of the spin states encoding the qubit can be coherently manipulated using electromagnetic radiation. The main challenge is the fragility of these superpositions when qubits are to partake of solid-state devices. We address this issue with a supramolecular approach for protecting molecular spin qubits against decoherence. The molecular qubit [Cr(ox)3]3- has been encapsulated inside the diamagnetic triple-stranded helicate [Zn2L3]4+ (L is a bis-pyrazolylpyridine ligand). The quantum coherence of the protected qubit is then analyzed with pulsed EPR spectroscopy and compared with the unprotected qubit, both in solution and in the solid state. Crucially, the spin-spin relaxation in the solid state has been examined within diamagnetic crystal lattices of the isostructural ([Al(ox)3]@[Zn2L3])+ or [Al(ox)3]3- assemblies, respectively, doped with the Cr3+ qubit in two different (<10%) concentrations. The study unveils a surprising increase of the phase memory time of the qubit upon encapsulation only in the solid. Spin-lattice relaxation times also exhibit a significant enhancement, as established from inversion recovery pulse sequences and from slow relaxation of the magnetization of the protected qubit, not featured by the free qubit.

Swain, Abinash↗
DOE OSTI2026

Lagrange-Remap strategy for multi-material fluid-solid simulations using compressive limiters

In the present work, the Lagrange-Remap strategy proposed in [1] is extended to multi-material fluid-solid simulations. Both hypo-elastic and hyper-elastic material models are considered to describe the mechanical behavior of the solids. In practice, the deviatoric stress tensor (for hypo-elastic materials) and the left Cauchy-Green tensor (for isotropic hyper-elastic materials) are remapped, while the use of compressive limiters effectively reduces numerical diffusion during the remapping step. The simplicity of this diffuse interface approach is emphasized in the context of multi-material fluid-solid simulations. A series of Lagrange-Remap test cases, involving both solids and fluids, are conducted and compared with reference Lagrangian simulations, demonstrating the robustness and accuracy of the overall numerical strategy.

Compressive limiters↗
DOE OSTI2026

A structural and electrochemical study of perfluoropolyether-poly(ethylene oxide) solid polymer electrolytes

Solid polymer electrolytes offer attractive safety, processability, and interfacial adhesion for enabling high–energy solid-state lithium batteries, but they are often limited by narrow oxidative stability windows and low lithium-ion transference numbers. In an attempt to broaden the electrochemical stability window and increase lithium-ion transference number of poly(ethylene oxide) (PEO)-based solid polymer electrolytes, we produce an optically clear, crosslinked membrane of PEO and perfluoropolyether (PFPE) using a mixed solvent method and subsequently infuse the membrane with a lithium salt. Structural and thermal analyses reveal nanoscale phase separation between fluorocarbon and hydrocarbon domains with characteristic spacings of 7–8 nm and an elevated glass transition for the hydrocarbon phase. Consistent with this, PFPE-containing membranes exhibit substantially lower ionic conductivity than PEO analogs (dry and plasticized). The transference number and electrochemical stability are similar to pure PEO. These results demonstrate that fluorination implemented as segregated nanoscale domains does not deliver the anticipated transport or stability benefits; instead, phase separation increases tortuosity and suppresses hydrocarbon-phase dynamics. The work underscores the importance of fluorine placement and morphology control, guiding the design of partially fluorinated solid polymer electrolytes toward architectures that avoid detrimental nanoscale phase separation.

Carden, Peyton [ORNL] (ORCID:0000000162296538)↗