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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Exploration of Electronic and Magnetic Properties of Ceria for Applications of Microwave Assisted Catalysis

This was presented at APS Global Physics Summit 2025 in Anaheim, CA. This study focuses on characterizing how vacancies and other dopants influence the electronic and magnetic properties of ceria and exploring the potential mechanisms by which these properties affect or control its catalytic behavior under microwave radiation. By examining ceria’s electronic response to external electromagnetic fields, specifically magnetic fields within the microwave range, the work aims to uncover insights into how microwaves might optimize catalytic effects. The study also includes a comparative analysis of different functionals to refine understanding of ceria’s electronic behavior and catalytic efficacy in these applications.

ammonia synthesis↗
DOE OSTI2020

The Effect of Intensity Fluctuations on Sequential X-ray Photon Correlation Spectroscopy at the X-ray Free Electron Laser Facilities

How materials evolve at thermal equilibrium and under external excitations at small length and time scales is crucial to the understanding and control of material properties. X-ray photon correlation spectroscopy (XPCS) at X-ray free electron laser (XFEL) facilities can in principle capture dynamics of materials that are substantially faster than a millisecond. However, the analysis and interpretation of XPCS data is hindered by the strongly fluctuating X-ray intensity from XFELs. Here we examine the impact of pulse-to-pulse intensity fluctuations on sequential XPCS analysis. We show that the conventional XPCS analysis can still faithfully capture the characteristic time scales, but with substantial decrease in the signal-to-noise ratio of the g2 function and increase in the uncertainties of the extracted time constants. We also demonstrate protocols for improving the signal-to-noise ratio and reducing the uncertainties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mechanics of Dynamic and Deformable DNA Nanostructures

In DNA nanotechnology, DNA molecules are designed, engineered, and assembled into arbitrary-shaped architectures with predesigned functions. Static DNA assemblies often have delicate designs with structural rigidity to overcome thermal fluctuations. Dynamic structures reconfigure in response to external cues, which have been explored to create functional nanodevices for environmental sensing and other applications. However, the precise control of reconfiguration dynamics has been a challenge due partly to flexible single-stranded DNA connections between moving parts. Deformable structures are special dynamic constructs with deformation on double-stranded parts and single-stranded hinges during transformation. These structures often have better control in programmed deformation. However, related deformability and mechanics including transformation mechanisms are not well understood or documented. In this review, we summarize the development of dynamic and deformable DNA nanostructures from a mechanical perspective. We present deformation mechanisms such as single-stranded DNA hinges with lock-and-release pairs, jack edges, helicity modulation, and external loading. Theoretical and computational models are discussed for understanding their associated deformations and mechanics. We elucidate the pros and cons of each model and recommend design processes based on the models. The design guidelines should be useful for those who have limited knowledge in mechanics as well as expert DNA designers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Regulating off-centering distortion maximizes photoluminescence in halide perovskites

Abstract Metal halide perovskites possess unique atomic and electronic configurations that endow them with high defect tolerance and enable high-performance photovoltaics and optoelectronics. Perovskite light-emitting diodes have achieved an external quantum efficiency of over 20%. Despite tremendous progress, fundamental questions remain, such as how structural distortion affects the optical properties. Addressing their relationships is considerably challenging due to the scarcity of effective diagnostic tools during structural and property tuning as well as the limited tunability achievable by conventional methods. Here, using pressure and chemical methods to regulate the metal off-centering distortion, we demonstrate the giant tunability of photoluminescence (PL) in both the intensity (>20 times) and wavelength (>180 nm/GPa) in the highly distorted halide perovskites [CH3NH3GeI3, HC(NH2)2GeI3, and CsGeI3]. Using advanced in situ high-pressure probes and first-principles calculations, we quantitatively reveal a universal relationship whereby regulating the level of off-centering distortion towards 0.2 leads to the best PL performance in the halide perovskites. By applying this principle, intense PL can still be induced by substituting CH3NH3+ with Cs+ to control the distortion in (CH3NH3)1-xCsxGeI3, where the chemical substitution plays a similar role as external pressure. The compression of a fully substituted sample of CsGeI3 further tunes the distortion to the optimal value at 0.7 GPa, which maximizes the emission with a 10-fold enhancement. This work not only demonstrates a quantitative relationship between structural distortion and PL property of the halide perovskites but also illustrates the use of knowledge gained from high-pressure research to achieve the desired properties by ambient methods.

halide perovskites↗
DOE OSTI2025

Time-domain study of coupled collective excitations in quantum materials

Quantum materials hold immense promises for future applications due to their intriguing electronic, magnetic, thermal, and mechanical properties that often arise from a complex interplay between microscopic degrees of freedom. Important insights of such interactions come from studying the collective excitations of electrons, spins, orbitals, and lattice, whose cooperative motions play a crucial role in determining the novel behavior of these systems and offer us a key tuning knob to modify material properties on-demand through external perturbations. In this regard, ultrafast light-matter interaction has shown great potential in controlling the couplings of collective excitations, and rapid progress in a plethora of time-resolved techniques down to the attosecond regime has significantly advanced our understanding of the coupling mechanisms and guided us in manipulating the dynamical properties of quantum materials. This review aims to highlight recent experiments on visualizing collective excitations in the time domain, focusing on the coupling mechanisms between different collective modes such as phonon-phonon, phonon-magnon, phonon-exciton, magnon-magnon, magnon-exciton, and various polaritons. We introduce how these collective modes are excited by an ultrashort laser pulse and probed by different ultrafast techniques, and we explain how the coupling between collective excitations governs the ensuing nonequilibrium dynamics. We also provide some perspectives on future studies that can lead to discoveries of the emergent properties of quantum materials both in and out of equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Electric fields and potentials in condensed phases

The electric fields and potentials inside and at the interface of matter are relevant to many branches of physics, chemistry, and biology. Accurate quantification of these fields and/or potentials is essential to control and exploit chemical and physical transformations. Before we understand the response of matter to external fields, it is first important to understand the intrinsic interior and interfacial fields and potentials, both classically and quantum mechanically, as well as how they are probed experimentally. Here we compare and contrast, beginning with the hydrogen atom in vacuum and ending with concentrated aqueous NaCl electrolyte, both classical and quantum mechanical electric potentials and fields. Here, we make contact with experimental vibrational Stark, electrochemical, X-ray, and electron spectroscopic probes of these potentials and fields, outline relevant conceptual difficulties, and underscore the advantage of electron holography as a basis to better understand electrostatics in matter.

Kathmann, Shawn M.↗
DOE OSTI2020

Forced and Unforced Decadal Behavior of the Interhemispheric SST Contrast during the Instrumental Period (1881–2012): Contextualizing the Late 1960s–Early 1970s Shift

The sea surface temperature (SST) contrast between the Northern Hemisphere (NH) and Southern Hemisphere (SH) influences the location of the intertropical convergence zone (ITCZ) and the intensity of the monsoon systems. This study examines the contributions of external forcing and unforced internal variability to the interhemispheric SST contrast in HadSST3 and ERSSTv5 observations, and 10 models from phase 5 of the Coupled Model Intercomparison Project (CMIP5) from 1881 to 2012. Using multimodel mean fingerprints, a significant influence of anthropogenic, but not natural, forcing is detected in the interhemispheric SST contrast, with the observed response larger than that of the model mean in ERSSTv5. The forced response consists of asymmetric NH–SH SST cooling from the mid-twentieth century to around 1980, followed by opposite NH–SH SST warming. The remaining best-estimate residual or unforced component is marked by NH–SH SST maxima in the 1930s and mid-1960s, and a rapid NH–SH SST decrease around 1970. Examination of decadal shifts in the observed interhemispheric SST contrast highlights the shift around 1970 as the most prominent from 1881 to 2012. Both NH and SH SST variability contributed to the shift, which appears not to be attributable to external forcings. Most models examined fail to capture such large-magnitude shifts in their control simulations, although some models with high interhemispheric SST variability are able to produce them. Large-magnitude shifts produced by the control simulations feature disparate spatial SST patterns, some of which are consistent with changes typically associated with the Atlantic meridional overturning circulation (AMOC).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Serum bile acid and unsaturated fatty acid profiles of non-alcoholic fatty liver disease in type 2 diabetic patients

The understanding of bile acid (BA) and unsaturated fatty acid (UFA) profiles, as well as their dysregulation, remains elusive in individuals with type 2 diabetes mellitus (T2DM) coexisting with non-alcoholic fatty liver disease (NAFLD). Investigating these metabolites could offer valuable insights into the pathophy-siology of NAFLD in T2DM. Our aim is to identify potential metabolite biomarkers capable of distinguishing between NAFLD and T2DM. A training model was developed involving 399 participants, comprising 113 healthy controls (HCs), 134 individuals with T2DM without NAFLD, and 152 individuals with T2DM and NAFLD. External validation encompassed 172 participants. NAFLD patients were divided based on liver fibrosis scores. The analytical approach employed univariate testing, orthogonal partial least squares-discriminant analysis, logistic regression, receiver operating characteristic curve analysis, and decision curve analysis to pinpoint and assess the diagnostic value of serum biomarkers. Compared to HCs, both T2DM and NAFLD groups exhibited diminished levels of specific BAs. In UFAs, particular acids exhibited a positive correlation with NAFLD risk in T2DM, while the ω-6:ω-3 UFA ratio demonstrated a negative correlation. Levels of α-linolenic acid and γ-linolenic acid were linked to significant liver fibrosis in NAFLD. The validation cohort substantiated the predictive efficacy of these biomarkers for assessing NAFLD risk in T2DM patients. This study underscores the connection between altered BA and UFA profiles and the presence of NAFLD in individuals with T2DM, proposing their potential as biomarkers in the pathogenesis of NAFLD.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Critical structural parameter determining magnetic phases in the F⁡e 2 ⁢M⁢o 3 ⁢O 8 altermagnet system

A systematic structural investigation of F⁡e 2 ⁢M⁢o 3⁢ O 8 as a function of pressure, temperature, and magnetic field reveals that the 𝑃⁢6 3 ⁢𝑚⁢𝑐 space group remains robust over a wide range of conditions. No changes in the long-range crystal structure are observed for pressures up to 10 GPa, temperatures between 11 K and 300 K, and magnetic fields up to 9 T. The magnetostructural response, quantified by Δ⁢𝑐/𝑐, is determined for magnetic fields applied transverse to the crystallographic 𝑐 axis, demonstrating strong magnetoelastic coupling. The well-known magnetic-field-induced transition is confirmed to be first order and isostructural, occurring between two distinct altermagnetic states. Importantly, this transition can also be accessed using magnetic fields applied within the 𝑎𝑏 plane. When expressed in terms of the 𝑐/𝑎 ratio, the structural evolution under pressure (0–10 GPa) maps continuously onto that observed across the full Zn substitution range in (F⁡e 1−𝑦⁢ Z⁢n 𝑦 )2 M⁢o 3 ⁢O 8 ⁢(0 ≤ 𝑦 ≤ 1), indicating a common underlying structural control parameter. Furthermore, these results demonstrate that the 𝑐-axis lattice parameter is the primary structural degree of freedom governing magnetic behavior under external tuning parameters. More broadly, they indicate that magnetic order in this family of complex oxides (𝐴 2 ⁢M⁢o 3 ⁢O 8 , 𝐴 = Co,Mn,Ni) can be systematically tuned via pressure. This tunability highlights these materials as promising platforms for controllable magnetic switching, particularly in thin films integrated with piezoelectric substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Changing effects of external forcing on Atlantic–Pacific interactions

Recent studies have highlighted the increasingly dominant role of external forcing in driving Atlantic and Pacific Ocean variability during the second half of the 20th century. This paper provides insights into the underlying mechanisms driving interactions between modes of variability over the two basins. We define a set of possible drivers of these interactions and apply causal discovery to reanalysis data, two ensembles of pacemaker simulations where sea surface temperatures in either the tropical Pacific or the North Atlantic are nudged to observations, and a pre-industrial control run. We also utilize large-ensemble means of historical simulations from the Coupled Model Intercomparison Project Phase 6 (CMIP6) to quantify the effect of external forcing and improve the understanding of its impact. A causal analysis of the historical time series between 1950 and 2014 identifies a regime switch in the interactions between major modes of Atlantic and Pacific climate variability in both reanalysis and pacemaker simulations. A sliding window causal analysis reveals a decaying El Niño–Southern Oscillation (ENSO) effect on the Atlantic as the North Atlantic fluctuates towards an anomalously warm state. The causal networks also demonstrate that external forcing contributed to strengthening the Atlantic's negative-sign effect on ENSO since the mid-1980s, where warming tropical Atlantic sea surface temperatures induce a La Niña-like cooling in the equatorial Pacific during the following season through an intensification of the Pacific Walker circulation. The strengthening of this effect is not detected when the historical external forcing signal is removed in the Pacific pacemaker ensemble. The analysis of the pre-industrial control run supports the notion that the Atlantic and Pacific modes of natural climate variability exert contrasting impacts on each other even in the absence of anthropogenic forcing. The interactions are shown to be modulated by the (multi)decadal states of temperature anomalies of both basins with stronger connections when these states are “out of phase”. We show that causal discovery can detect previously documented connections and provides important potential for a deeper understanding of the mechanisms driving changes in regional and global climate variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Controllable branching of robust response patterns in nonlinear mechanical resonators

In lieu of continuous time active feedback control in complex systems, nonlinear dynamics offers a means to generate desired long-term responses using short-time control signals. This type of control has been proposed for use in resonators that exhibit a plethora of complex dynamic behaviors resulting from energy exchange between modes. However, the dynamic response and, ultimately, the ability to control the response of these systems remains poorly understood. Here, we show that a micromechanical resonator can generate diverse, robust dynamical responses that occur on a timescale five orders of magnitude larger than the external harmonic driving and these responses can be selected by inserting small pulses at specific branching points. We develop a theoretical model and experimentally show the ability to control these response patterns. Hence, these mechanical resonators may represent a simple physical platform for the development of springboard concepts for nonlinear, flexible, yet robust dynamics found in other areas of physics, chemistry, and biology.

42 ENGINEERING↗
DOE OSTI2021

Impact of High-Dose-Rate and Low-Dose-Rate Brachytherapy Boost on Toxicity, Functional and Cancer Outcomes in Patients Receiving External Beam Radiation Therapy for Prostate Cancer: A National Population-Based Study

External beam radiation therapy (EBRT) with brachytherapy boost reduces cancer recurrence in patients with prostate cancer compared with EBRT monotherapy. However, randomized controlled trials or large-scale observational studies have not compared brachytherapy boost types directly.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

Active doping controls the mode of failure in dense colloidal gels

Mechanical properties of disordered materials are governed by their underlying free energy landscape. In contrast to external fields, embedding a small fraction of active particles within a disordered material generates nonequilibrium internal fields, which can help to circumvent kinetic barriers and modulate the free energy landscape. In this work, we investigate through computer simulations how the activity of active particles alters the mechanical response of deeply annealed polydisperse colloidal gels. We show that the “swim force” generated by the embedded active particles is responsible for determining the mode of mechanical failure, i.e., brittle vs. ductile. We find, and theoretically justify, that at a critical swim force the mechanical properties of the gel decrease abruptly, signaling a change in the mode of mechanical failure. The weakening of the elastic modulus above the critical swim force results from the change in gel porosity and distribution of attractive forces among gel particles, while below the critical swim force, the ductility enhancement is caused by an increase of gel structural disorder. Above the critical swim force, the gel develops a pronounced heterogeneous structure characterized by multiple pore spaces, and the mechanical response is controlled by dynamical heterogeneities. We contrast these results with those of a simulated monodisperse gel that exhibits a nonmonotonic trend of ductility modulation with increasing swim force, revealing a complex interplay between the gel energy landscape and embedded activity.

Zhou, Tingtao (ORCID:000000021766719X)↗
DOE OSTI2025

3D polycatenated architected materials

Architected materials derive their properties from the geometric arrangement of their internal structural elements. Their designs rely on continuous networks of members to control the global mechanical behavior of the bulk. Here, in this study, we introduce a class of materials that consist of discrete concatenated rings or cage particles interlocked in three-dimensional networks, forming polycatenated architected materials (PAMs). We propose a general design framework that translates arbitrary crystalline networks into particle concatenations and geometries. In response to small external loads, PAMs behave like non-Newtonian fluids, showing both shear-thinning and shear-thickening responses, which can be controlled by their catenation topologies. At larger strains, PAMs behave like lattices and foams, with a nonlinear stress-strain relation. At microscale, we demonstrate that PAMs can change their shapes in response to applied electrostatic charges. The distinctive properties of PAMs pave the path for developing stimuli-responsive materials, energy-absorbing systems, and morphing architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Volumetric Shaping of Nanoparticle-DNA Crystals by Light-Induced Milling

DNA-programmable self-assembly enables the formation of nanoparticle crystals with controlled lattice symmetry. While this approach offers the formation of complexly ordered nanostructures for optical, mechanical, and biological applications, a mesoscale control over such nanomaterials is limited. Directing the material formation process through the assembly pathway or external fields allows for modulating crystal morphology, but achieving arbitrary morphology remains challenging. Here, we present a photothermal method for shaping 3D DNA-programmable crystals of gold nanoparticles. Through local heating of nanoparticles due to plasmonic light absorption, we induce targeted volumetric dissolution of specifically defined crystal areas with micron-scale accuracy. This technique effectively prescribes crystal shaping and creates arbitrarily shaped voids within crystals. We further investigate both computationally and experimentally the key factors governing volumetric material subtraction. The developed automated light-milling platform enables the fabrication of nanomaterials exhibiting both DNA-programmable nanoscale order and custom-designed mesoscale architecture.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Visualizing the Effect of Oxidation on Magnetic Domain Behavior of Nanoscale Fe 3 GeTe 2 for Applications in Spintronics

Magnetic van der Waals (vdW) materials offer an opportunity to design heterostructures that will lead to exotic functionalities that arise from interfacial interaction. In addition to coupling to different vdW materials, the naturally oxidized surface layer of a vdW material also forms a heterostructure with its bulk film, giving rise to intriguing phenomena. Here, we directly observe the impact of oxidation on the magnetic domains, namely, magnetic stripe domain and skyrmions, in a nanoscale Fe 3 GeTe 2 flake using cryo Lorentz transmission electron microscopy. After the Fe 3 GeTe 2 is exposed to ambient conditions, partial oxidation leads to an increase in the density of skyrmions even under zero magnetic field. Complete oxidation leads to a loss of the magnetic domain structure. We observe a gradual change in Fe 3 GeTe 2 from single crystal to amorphous as the oxidation increases. The oxidized Fe 3 GeTe 2 primarily consists of iron oxide, which could be antiferromagnetic in nature. We hypothesize that the interfacial interaction between these surface antiferromagnetic oxides and the bulk ferromagnetic Fe 3 GeTe 2 , as well as the effect of interfacial roughness, leads to the increase in Néel skyrmion creation. Furthermore, this work opens a path to harness controlled oxidation as a build block to create dense skyrmion lattices without the need for an external magnetic field, leading to potential future applications in spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

All-Epitaxial Integration of Long-Wavelength Infrared Plasmonic Materials and Detectors for Enhanced Responsivity

Here, infrared detectors using monolithically integrated doped semiconductor “designer metals” are proposed and experimentally demonstrated. We leverage the “designer metal” groundplanes to form resonant cavities with enhanced absorption tuned across the long-wave infrared (LWIR). Detectors are designed with two target absorption enhancement wavelengths: 8 and 10 μm. The core of our detectors are quantum-engineered LWIR type-II superlattice p-i-n detectors with total thicknesses of only 1.42 and 1.80 μm for the 8 and 10 μm absorption enhancement devices, respectively. Our 8 and 10 μm structures show peak external quantum efficiencies of 45 and 27%, which are 4.5× and 2.7× enhanced, respectively, compared to control structures. We demonstrate the clear advantages of this detector architecture, both in terms of ease of growth/fabrication and enhanced device performance. The proposed architecture is absorber- and device-structure agnostic, much thinner than state-of-the-art LWIR T2SLs, and offers the opportunity for the integration of low dark current LWIR detector architectures for significant enhancement of IR detectivity.

42 ENGINEERING↗
DOE OSTI2022

Plasma parameters and the reduction potential at a plasma-liquid interface

We report nonthermal plasmas in contact with liquids have been shown to generate a variety of reactive species capable of initiating reduction–oxidation (redox) reactions at the electrochemically active plasma–liquid interface. In conventional electrochemical cells, selective redox chemistry is achieved by controlling the reduction potential at the solid electrode–electrolyte interface by applying a bias via an external circuit. In the case of plasma–liquid systems, an analogous means of tuning the reduction potential near the interface has not clearly been identified. When treated as a floating surface, the liquid is expected to adopt a net negative charge to balance the flux of hot electrons and relatively cold positive ions. The reduction potential near the plasma–liquid interface is hypothesized to be proportional to the floating potential, which can be approximated using an analytical model provided the plasma parameters are known. Herein, we present a framework for correlating the electron density and electron temperature of a noble gas plasma jet to the reduction potential near the plasma–liquid interface. The plasma parameters were acquired for an argon atmospheric plasma jet in contact with an aqueous solution by means of laser Thomson scattering. The reduction potential was determined using identical reference electrodes to measure the potential difference between the plasma–liquid interface and bulk solution. Interestingly, the measured reduction potentials near the plasma–liquid interface were found to be in good agreement with the model-predicted values determined using the plasma parameters obtained from the Thomson scattering experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗