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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High-Speed Diagnostic and Simulation Capabilities for Reacting Hypersonic Reentry Flows (LDRD Final Report)

High-enthalpy hypersonic flight represents an application space of significant concern within the current national-security landscape. The hypersonic environment is characterized by high-speed compressible fluid mechanics and complex reacting flow physics, which may present both thermal and chemical nonequilibrium effects. We report on the results of a three-year LDRD effort, funded by the Engineering Sciences Research Foundation (ESRF) investment area, which has been focused on the development and deployment of new high-speed thermochemical diagnostics capabilities for measurements in the high-enthalpy hypersonic environment posed by Sandia's free-piston shock tunnel. The project has additionally sponsored model development efforts, which have added thermal nonequilibrium modeling capabilities to Sandia codes for subsequent design of many of our shock-tunnel experiments. We have cultivated high-speed, chemically specific, laser-diagnostic approaches that are uniquely co-located with Sandia's high-enthalpy hypersonic test facilities. These tools include picosecond and nanosecond coherent anti-Stokes Raman scattering at 100-kHz rates for time-resolved thermometry, including thermal nonequilibrium conditions, and 100-kHz planar laser-induced fluorescence of nitric oxide for chemically specific imaging and velocimetry. Key results from this LDRD project have been documented in a number of journal submissions and conference proceedings, which are cited here. The body of this report is, therefore, concise and summarizes the key results of the project. The reader is directed toward these reference materials and appendices for more detailed discussions of the project results and findings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

New Development in NASA's Rodent Research Hardware for Conducting Long Duration Biomedical and Basic Research in Space

Animal models, particularly rodents, are the foundation of pre-clinical research to understand human diseases and evaluate new therapeutics, and play a key role in advancing biomedical discoveries both on Earth and in space. The National Research Councils Decadal survey emphasized the importance of expanding NASAs life sciences research to perform long duration, rodent experiments on the International Space Station (ISS). To accomplish this objective, flight hardware, operations, and science capabilities were developed at NASA Ames Research Center (ARC) to enhance science return for both commercial (CASIS) and government-sponsored rodent research. The Rodent Research program at NASA ARC has pioneered a new research capability on the International Space Station and has progressed toward translating research to the ISS utilizing commercial rockets, collaborating with academia and science industry, while training crewmembers to assist in performing research on orbit. Throughout phases of these missions, our practices, hardware and operations have evolved from tested to developed standards, and we are able to modify and customize our procedure and operations for mission specific requirements. The Rodent Research Habitat is capable of providing a living environment for animals on ISS according to standard animal welfare requirements. Using the cameras in the Habitat, the Rodent Research team has the ability to perform daily health checks on animals, and further analyze the collected videos for behavioral studies. A recent development of the Rodent Research hardware is inclusion of enrichment, to provide the animals the ability to rest and huddle. The Enrichment Hut is designed carefully for adult mice (up to 35 week old) within animal welfare, engineering, and operations constraints. The Hut is made out of the same stainless steel mesh as the cage interior, it has an ingress and an egress to allow animals move freely, and a hinge door to allow crewmembers remove the animals easily. The Rodent Research team has also developed Live Animal Return (LAR) capability, which will be implemented during Rodent Research-5 mission for the first time. The animals will be transported from the Habitat to a Transporter, which will return on the Dragon capsule and splashes down in the Pacific Ocean. Once SpaceX retrieves the Dragon, all powered payloads will be transferred to a SeaVan and transferred to the Long Beach pier. The NASA team then receives the transporter and delivers to a PI-designated laboratory within 120 mile radius of Long Beach. This is a significant improvement allowing researchers to examine animals within 72 hrs. of reentry or to conduct recovery experiments. Together, the hardware improvements and experience that the Rodent Research team has gained working with principal investigators and ISS crew to conduct complex experiments on orbit are expanding capabilities for long duration rodent research on the ISS to achieve both basic science and biomedical objectives.

ISS↗
NASA NTRS1973

Public science policy and administration

Science, the overwhelming concern of our time, is no longer a matter of private research and development but one of public policy and administration, in which government, industry, foundations, and educational institutions must all work together as never before. Few other single tasks are of such decisive importance to the collective and individual welfare of American citizens as the formulation of public science policy and the administration of scientific programs. Eleven national authorities of varied background in science, education, and government administration contribute their experience and their judgment in an effort to deal with the major aspects of the subject. Their focus is on the meeting of actual problems; they consider the decision making process in both public and public-private organizations. Topics are grouped in three general categories: personnel needs and resources, organizational problems and techniques, and the administrative role in policy leadership.

Rosenthal, A. H.↗
DOE OSTI2025

Angular Correlation Date Measurements with the GeRMAC system

Advanced modeling and simulation efforts have improved at Idaho National Laboratory in recent years with a solid foundation of experimental results. Current computational methods represent significant modeling capabilities but are limited by the accuracy and availability of nuclear data. The creation of pre- and post-processing software tools to address these limitations is fundamental to the improvement of nuclear science modeling capacities. One aspect of predictive modeling tools deals with gamma-rays emitted from radionuclides, including fissile or fissionable material, fission products, or activation products, produced in reactor experiments or other neutron environments. The resulting radionuclides decay in unique ways, providing complications upon measurement as a result of random and cascade, or true, coincidence summing. These effects are not easily quantified during modeling efforts of gamma-ray source terms., The germanium rotational measurements for angular correlation (GeRMAC) system was built to quantify the relative angles for gamma rays emitted by radionuclides of interest to investigate true coincidence, or cascade, summing as well as the nuclear energy levels of decay schemes of interest. Proof of concept studies utilize a series of laboratory check sources to provide validity, and it will soon be used to perform the same measurements for fission products of interest. The resulting data can be used to implement into a Monte Carlo code, such as Geant4, to provide more precise gamma-ray source terms following irradiations of materials.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Electronic Structure of Compressively Strained Bilayer Nickelate Thin Film

The discovery of superconductivity in bulk bilayer nickelates under high pressure, and its subsequent stabilization in compressively strained thin films at ambient pressure, has established a new platform for exploring high-𝑇 c superconductivity beyond the cuprates. Central to this development is the prominent role of the 3⁢𝑑$^2_𝑧$ orbital in shaping the low-energy electronic structure, imposing constraints on microscopic theories and fueling debate over the superconducting mechanism. Here we report a systematic in situ angle-resolved photoemission spectroscopy study of compressively strained bilayer nickelate thin films spanning Ca doping, oxygen stoichiometry and film thickness. Despite variations in oxygen-vacancy disorder and surface termination, the electronic structure remains robust and exhibits a systematic strain-driven evolution consistent with an intermediate-correlation regime. In particular, we demonstrate a Ca-doping-induced electronic structure evolution that is consistent with Fermi-level crossing of the 𝛾 band and is decoupled from the presence of superconductivity, suggesting that, while important for the 𝛾 band to be near the Fermi level, the debated 𝛾 crossing and the resulting Fermi pocket may not be a prerequisite for superconductivity. Together, our results establish key spectroscopic constraints on the minimal fermiology and correlation strength relevant to superconductivity in bilayer nickelates, providing an experimental foundation for microscopic theories of their pairing mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Increasing Mosquito Abundance Under Global Warming

Mosquitoes are a key virus vector that poses significant health threats globally, affecting 700 million individuals and causing 1 million deaths annually. Accurately predicting mosquito abundance and dispersion remains a challenge. Complex interactions between mosquito dynamics and various environmental factors, notably hydrology, contribute to this challenge. Existing models typically focus on precipitation and temperature and often overlook further impacts of hydrological variables within mosquito modeling. In this study, we developed an artificial intelligence‐based model for mosquito dynamics, explicitly accounting for different hydrological variables, such as precipitation, soil moisture and streamflow. Using Toronto, Canada, as a case study, we identified causal relationships between changes in mosquito populations, hydrological factors, vegetation (e.g., leaf area index), and climate variables (e.g., daylight length, precipitation, and temperature). We embedded these relationships into a Long Short‐Term Memory (LSTM) Neural Network Model capable of accurately detecting mosquito dynamics across annual, seasonal, and monthly time scales. The LSTM is able to explain, on average, approximately 40% of the variance in the observed mosquito abundance data. Using the calibrated model, we predicted that the summer season mosquito abundance would increase by ∼16% and ∼19% under an intermediate greenhouse emission scenario, Shared Socioeconomic Pathway (SSP) 2–4.5, and a high greenhouse emission scenario, SSP5‐8.5, respectively. We expect that this model can serve as a valuable tool and inform science‐based decisions affecting mosquito dynamics and public health. It can also build a foundation for future risk analysis at the regional and larger scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

FLAMINGO: combining kinetic SZ effect and galaxy–galaxy lensing measurements to gauge the impact of feedback on large-scale structure

Energetic feedback processes associated with accreting supermassive black holes can expel gas from massive haloes and significantly alter various measures of clustering on $\sim$Mpc scales, potentially biasing the values of cosmological parameters inferred from analyses of large-scale structure (LSS) if not modelled accurately. Here, we use the state-of-the-art FLAMINGO suite of cosmological hydrodynamical simulations to gauge the impact of feedback on large-scale structure by comparing to Planck + ACT stacking measurements of the kinetic Sunyaev–Zel’dovich (kSZ) effect of SDSS BOSS galaxies. We make careful like-with-like comparisons to the observations, aided by high precision KiDS and DES galaxy–galaxy lensing measurements of the BOSS galaxies to inform the selection of the simulated galaxies. In qualitative agreement with several recent studies using dark matter only simulations corrected for baryonic effects, we find that the kSZ effect measurements prefer stronger feedback than predicted by simulations which have been calibrated to reproduce the gas fractions of low redshift X-ray-selected groups and clusters. We find that the increased feedback can help to reduce the so-called $S_8$ tension between the observed and CMB-predicted clustering on small scales as probed by cosmic shear (although at the expense of agreement with the X-ray group measurements). However, the increased feedback is only marginally effective at reducing the reported offsets between the predicted and observed clustering as probed by the thermal SZ (tSZ) effect power spectrum and tSZ effect – weak lensing cross-spectrum, both of which are sensitive to higher halo masses than cosmic shear.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Automated and Accelerated Continuum Model Development for Electrochemical Systems (Abbreviated Report)

Despite the availability of computational resources and advancements in numerical computing capabilities, the multiscale models core to understanding, predicting the behaviors of, and designing energy and environmental systems involving porous media are still 1.) developed through by-hand derivations and 2.) limited by many methodological assumptions employed during model derivation. As a result, the advancement of effective media models for engineering DOE mission-critical systems (e.g., batteries, flow batteries, electrolyzers, geothermal systems, subsurface chemical storage systems, etc.) is slow (i.e., it takes years for models to traverse from stages of “development” to “practical utilization”), hindering our ability to effectively optimize such systems and stay at the cutting-edge of the energy frontier. In this work, we aimed to address these limitations by 1.) automating and accelerating multiscale model derivation via symbolic computing and 2.) develop a novel multiscale modeling methodology for flow and transport through porous media that avoids the typical assumptions hindering previous models. As a result of our efforts, we 1.) developed a hybrid symbolic-numeric code called Fouriera for fully-automating the implementation of multiphysical and phase-field models via the Fourier spectral method for materials science research, and 2.) advanced a multiscale modeling methodology called The Method of Finite Averages that rigorously predicts the behaviors of flow and transport through heterogeneous porous media under the influence of non-local effects and strong advection. Ultimately, these deliverables provide strong foundations from which further efforts can advance multiscale modeling tools and capabilities that do not intrinsically rely on 1.) the speed and mathematical capabilities of humans, nor 2.) the methodological assumptions limiting current models.

36 MATERIALS SCIENCE↗
DOE OSTI2021

APS Science 2020 (Vol. 2)

The U.S. Department of Energy's Advanced Photn Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Prediction of cccDNA dynamics in hepatitis B patients by a combination of serum surrogate markers

Quantification of intrahepatic covalently closed circular DNA (cccDNA) is a key for evaluating an elimination of hepatitis B virus (HBV) in infected patients. However, quantifying cccDNA requires invasive methods such as a liver biopsy, which makes it impractical to access the dynamics of cccDNA in patients. Although HBV RNA and HBV core-related antigens (HBcrAg) have been proposed as surrogate markers for evaluating cccDNA activity, they do not necessarily estimate the amount of cccDNA. Here, we employed a recently developed multiscale mathematical model describing intra- and intercellular viral propagation and applied it in HBV-infected patients under treatment. We developed a model that can predict intracellular HBV dynamics by use of extracellular viral markers, including HBsAg, HBV DNA, and HBcrAg in peripheral blood. Importantly, the model prediction of the amount of cccDNA in patients over time was confirmed to be well correlated with the data for quantified cccDNA by paired liver biopsy. Thus, our method combining classic and emerging surrogate markers enables us to predict the decay dynamics of cccDNA in patients undergoing treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Towards Predictive Plasma Science and Engineering through Revolutionary Multi-Scale Algorithms and Models (Final Report)

This report describes the high-level accomplishments from the Plasma Science and Engineering Grand Challenge LDRD at Sandia National Laboratories. The Laboratory has a need to demonstrate predictive capabilities to model plasma phenomena in order to rapidly accelerate engineering development in several mission areas. The purpose of this Grand Challenge LDRD was to advance the fundamental models, methods, and algorithms along with supporting electrode science foundation to enable a revolutionary shift towards predictive plasma engineering design principles. This project integrated the SNL knowledge base in computer science, plasma physics, materials science, applied mathematics, and relevant application engineering to establish new cross-laboratory collaborations on these topics. As an initial exemplar, this project focused efforts on improving multi-scale modeling capabilities that are utilized to predict the electrical power delivery on large-scale pulsed power accelerators. Specifically, this LDRD was structured into three primary research thrusts that, when integrated, enable complex simulations of these devices: (1) the exploration of multi-scale models describing the desorption of contaminants from pulsed power electrodes, (2) the development of improved algorithms and code technologies to treat the multi-physics phenomena required to predict device performance, and (3) the creation of a rigorous verification and validation infrastructure to evaluate the codes and models across a range of challenge problems. These components were integrated into initial demonstrations of the largest simulations of multi-level vacuum power flow completed to-date, executed on the leading HPC computing machines available in the NNSA complex today. These preliminary studies indicate relevant pulsed power engineering design simulations can now be completed in (of order) several days, a significant improvement over pre-LDRD levels of performance.

42 ENGINEERING↗
DOE OSTI2025

Discovery of a Stripe Phase in an Elemental Solid

Translational symmetry breaking is foundational to condensed matter physics because it is associated with crystal formation. At much lower energy scales, the breaking of crystalline translational symmetry can be driven by electronic, rather than ionic, degrees of freedom and may give rise to stripe order, a unidirectional ordered state. Such symmetry breaking has been seen in two-dimensional and strongly correlated systems. Here, for the first time, we report the observation of stripe order in an elemental solid, tellurium. Through topographic and spectroscopic imaging, we discover a commensurate 4 × 1 stripe phase. Surprisingly, this exotic order is so robust that it survives close to room temperature. Notably, our diffraction experiments confirm the bulk nature of the stripe order, showing the minuteness of potential lattice distortion associated with the order. In conclusion, our discovery of the stripe order in tellurium opens new windows to understanding the spontaneous symmetry breaking in elemental solids.

charge order↗
DOE OSTI2026

Ion transport through reconfigurable nanoparticle-surfactant stabilized droplet interface bilayers

Despite their adaptability and mechanical stability, Pickering emulsions based on the interfacial assembly of colloidal particles have not found use in iontronics, since the dense interfacial packing of micron-sized particles precludes functional connectivity between two droplets. In this work, we introduce a chemically reconfigurable droplet interface bilayer (DIB) platform based on the interfacial assembly of nanoparticle-surfactants (NPSs) that enables spontaneous or field-induced formation of ion-conducting nanochannels, eliminating the need of ionophores or nanochannel-forming proteins. These nanoscopic channels emerge from packing defects in the jammed interfacial assemblies of the charged NPSs and support size and charge selective, hysteretic ion transport governed by interfacial electrostatics and dimensional constraints. The NPS-DIBs show short-term and long-term plasticity, hallmarks of neuromorphic behavior, that are mediated by the structural and chemical design of the bilayer. These assemblies establish a versatile, chemically tunable platform that couples soft-matter mechanics with interfacial ionic functionality, offering a robust foundation for soft iontronic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

FY23 Laboratory Directed Research & Development Annual Report

At Savannah River National Laboratory (SRNL), we put science to work to protect the environment and address nuclear security challenges. Through our transformative science and technology efforts, SRNL provides solutions to the Department of Energy (DOE) Office of Environmental Management (EM) for the safe cleanup of environmental legacy resulting from nuclear weapons development and government-sponsored nuclear energy research. SRNL also supports DOE’s National Nuclear Security Administration (NNSA) as it maintains the nation’s nuclear stockpile and reduces the threat of nuclear proliferation around the world. Investments through SRNL’s Laboratory Directed Research and Development (LDRD) program drive exploratory research foundational to advancements in mission critical technologies for EM, NNSA and other offices of DOE. Our LDRD program also provides meaningful development opportunities for the people central to innovation. Seven Laboratory Director’s Postdoctoral Research Fellows were supported by LDRD during fiscal year 2023. These named postdoctoral fellows are driving SRNL’s scientific and technical core competencies forward through their dedication to research and advancement of technologies. The LDRD program supports established researchers to explore new concepts, while fueling opportunities for the next generation of scientists to join the SRNL workforce, contributing to the global scientific community through scientific publications. Enjoy reading this Annual Report which summarizes the innovative science and engineering contributions of SRNL staff supported by the LDRD Program. Dr. Vahid Majid

Majidi, Vahid↗
NASA NTRS2006

NASA Exploration Launch Projects Overview: The Crew Launch Vehicle and the Cargo Launch Vehicle Systems

The U.S. Vision for Space Exploration (January 2004) serves as the foundation for the National Aeronautics and Space Administration's (NASA) strategic goals and objectives. As the NASA Administrator outlined during his confirmation hearing in April 2005, these include: 1) Flying the Space Shuttle as safely as possible until its retirement, not later than 2010. 2) Bringing a new Crew Exploration Vehicle (CEV) into service as soon as possible after Shuttle retirement. 3) Developing a balanced overall program of science, exploration, and aeronautics at NASA, consistent with the redirection of the human space flight program to focus on exploration. 4) Completing the International Space Station (ISS) in a manner consistent with international partner commitments and the needs of human exploration. 5) Encouraging the pursuit of appropriate partnerships with the emerging commercial space sector. 6) Establishing a lunar return program having the maximum possible utility for later missions to Mars and other destinations. In spring 2005, the Agency commissioned a team of aerospace subject matter experts to perform the Exploration Systems Architecture Study (ESAS). The ESAS team performed in-depth evaluations of a number of space transportation architectures and provided recommendations based on their findings? The ESAS analysis focused on a human-rated Crew Launch Vehicle (CLV) for astronaut transport and a heavy lift Cargo Launch Vehicle (CaLV) to carry equipment, materials, and supplies for lunar missions and, later, the first human journeys to Mars. After several months of intense study utilizing safety and reliability, technical performance, budget, and schedule figures of merit in relation to design reference missions, the ESAS design options were unveiled in summer 2005. As part of NASA's systems engineering approach, these point of departure architectures have been refined through trade studies during the ongoing design phase leading to the development phase that begins in 2008. Comprehensive reviews of engineering data and business assessments by both internal and independent reviewers serve as decision gates to ensure that systems can fully meet customer and stakeholder requirements. This paper provides the current CLV and CaLV configuration designs and gives examples of the progress being made during the first year of this significant effort. Safe, reliable, cost-effective space transportation systems are a foundational piece of America s future in space and the next step in realizing the plan for revitalizing lunar capabilities on the passageway to the human exploration of Mars. While building on legacy knowledge and heritage hardware for risk reduction, NASA will apply lessons learned from developing these new launch vehicles to the growth path for future missions. The elements for mission success and continued U.S. leadership in space have been assembled over the past year. As NASA designs and develops these two new systems over the next dozen years, visible progress, such as that reported in this paper, may sustain the national will to stay the course across political administrations and weather the inevitable trials that will be experienced during this challenging endeavor.

Snoddy, Jimmy R.↗
DOE OSTI2025

Galaxy formation with wave/fuzzy dark matter: The core-halo structure and the solitonic imprint

Dark matter-dominated cores have long been claimed for the well-studied local group dwarf galaxies. More recently, extended stellar halos have been uncovered around several of these dwarfs through deeper imaging and spectroscopy. Such core-halo structures (inner flat core and a characteristic r −3 asymptotic outer halo profile) are not a feature of conventional cold dark matter (CDM). In contrast, smooth and prominent dark matter cores are predicted for wave/fuzzy dark matter (ψDM). The question arises as to what extent the visible stellar profiles should reflect this dark matter core structure. Here we compare cosmological hydrodynamical simulations of CDM, “WDM” (model used as a proxy for ψDM) & ψDM, aiming to predict the stellar profiles for these three DM scenarios. We show that cores surrounded by extended halos are distinguishable for ψDM, where the stellar density is enhanced in the core due to the presence of the relatively dense soliton. Our analysis demonstrates that, in our simulations, a distinctive core-halo structure does not appear in the case of CDM in the DM, gas, or stars. Whereas we do find a core-halo transition for DM, gas, and stars for ψDM, and the scale of this transition is in line with the predicted core radius set by the soliton scale anticipated for the adopted boson mass of 2.5×10 −22 eV. The presence of a core-halo structure in the stellar profile for Galaxy 1 for ψDM is visible for the most massive and the first galaxy to form in the simulation. Clearly, further simulations are needed to establish how strict this possible relationship is between the DM and stellar core-halo profile as a potential observational discriminator. Furthermore, we observe the anticipated asymmetry for ψDM due to the soliton's motion (jumping and random walk), a distinctive characteristic not found in the symmetric distributions of stars in the warm and CDM models.

dark matter↗
DOE OSTI2026

Structural and compositional complexities of hierarchical self-assembly: A hypergraph approach

Programmable self-assembly enables the construction of complex molecular, supramolecular, and crystalline architectures from well-designed building blocks. In this work, we introduce a hypergraph-based formalism, Blocks & Bonds (B&B), which generalizes classical chemical graph theory by incorporating directed and multicolored interactions, internal symmetries, and hierarchical organization. Within this framework, we develop the Structure Code (SC), a compact and versatile language for describing self-assembled architectures. We define a Kolmogorov-style structural complexity as the total information content of SC, obtained through its tokenization and Shannon information assignment. Complementing this encoding-based measure, we introduce a much simpler quantity, the compositional complexity, which depends only on the number and cumulative usage of block and bond types in the construction set. A central result of this work is a strong empirical correlation between the token-based structural complexity and the compositional complexity across all examined systems. Owing to this agreement, the compositional complexity emerges as the most practical and broadly applicable measure: it is easy to compute, requires no explicit encoding, and yet closely tracks the actual information content of structurally diverse architectures. Applications to molecular systems (ethylene glycol and glucose), DNA-origami lattices, and crystalline assemblies show that B&B hypergraphs provide a unified, scalable, and information-efficient representation of structural organization, naturally capturing symmetry, modularity, and stereochemistry. This framework establishes a quantitative foundation for complexity-aware classification and inverse design of programmable matter.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Lattice-Charge Coupling in a Trilayer Nickelate with Intertwined Density Wave Order

Intertwined charge and spin correlations are ubiquitous in a wide range of transition metal oxides and are often perceived as intimately related to unconventional superconductivity. Theoretically envisioned as driven by strong electronic correlations, the intertwined order is usually found to be strongly coupled to the lattice as signaled by pronounced phonon softening. Recently, both charge and spin density waves (CDW and SDW) and superconductivity have been discovered in several Ruddlesden-Popper (RP) nickelates, in particular trilayer nickelates 𝑅⁢𝐸 4⁢ Ni 3 ⁢O 10 (𝑅⁢𝐸 = Pr, La). The nature of the intertwined order and the role of lattice-charge coupling are at the heart of the debate about these materials. Using inelastic x-ray scattering, we mapped the low-energy phonon dispersions in 𝑅⁢𝐸 4⁢ Ni 3 ⁢O 10 and found no evidence of softening near the CDW wave vector over a wide temperature range, which contrasts with the pronounced anomalies frequently observed in cuprate superconductors. Calculations of the electronic susceptibility revealed a peak at the observed SDW ordering vector but not at the CDW wave vector. Our experimental and theoretical findings highlight the crucial role of the spin degree of freedom and establish a foundation for understanding the interplay between superconductivity and density-wave transitions in RP nickelate superconductors and beyond.

36 MATERIALS SCIENCE↗