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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Engineering endosomolytic nanocarriers of diverse morphologies using confined impingement jet mixing

The clinical translation of many biomolecular therapeutics has been hindered by undesirable pharmacokinetic (PK) properties, inadequate membrane permeability, poor endosomal escape and cytosolic delivery, and/or susceptibility to degradation. Overcoming these challenges merits the development of nanoscale drug carriers (nanocarriers) to improve the delivery of therapeutic cargo. Herein, we implement a flash nanoprecipitation (FNP) approach to produce nanocarriers of diverse vesicular morphologies by using various molecular weight PEG-bl-DEAEMA-co-BMA (PEG-DB) polymers. We demonstrated that FNP can produce uniform (PDI < 0.1) particles after 5 impingements, and that by varying the copolymer hydrophilic mass fraction, FNP enables access to a diverse variety of nanoarchitectures including micelles, unilamellar vesicles (polymersomes), and multi-compartment vesicles (MCVs). We synthesized a library of 2 kDa PEG block copolymers, with DEAEMA-co-BMA second block molecular weights of 3, 6, 12, 15, 20, and 30 kDa. All formulations were both pH responsive, endosomolytic, and capable of loading and cytosolically delivering small negatively charged molecules – albeit to different degrees. Using a B16.F10 melanoma model, we showcased the therapeutic potential of a lead FNP formulated PEG-DB nanocarrier, encapsulating the cyclic dinucleotide (CDN) cGAMP to activate the stimulator of interferon genes (STING) pathway in a therapeutically relevant context. Collectively, these data demonstrate that an FNP process can be used to formulate pH-responsive nanocarriers of diverse morphologies using a PEG-DB polymer system. As FNP is an industrially scalable process, these data address the critical translational challenge of producing PEG-DB nanoparticles at scale. Furthermore, the diverse morphologies produced may specialize in the delivery of distinct biomolecular cargos for other therapeutic applications, implicating the therapeutic potential of this platform in an array of disease applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Photoswitching dynamics of a guanidine anion receptor

Photoswitchable molecules involving large-scale structural changes such as E/Z photoisomerization offer remarkable opportunities for light-stimulated catch-and-release chemical separations. While the feasibility of this photochemically driven mechanism has been demonstrated in pioneering studies, the electronic excited-state relaxation processes and concomitant structural changes of such a functional photoswitcher remain largely unexplored. Here, we investigate an exceptional photoswitchable molecule, 2-pyridyl-diiminoguanidinium (2PyDIG), which exhibits strong and selective anion binding, along with an extraordinary capability for light-induced release of a guest ion. Through time-resolved fluorescence measurements and multireference and time-dependent density functional theory calculations, we reveal the dynamics underlying electronic excited state relaxation and photoisomerization central to photoswitching. A very rapid and dominant decay component was found that is consistent with radiationless de-excitation from S 1 to S 0 through conical intersections. This process competes effectively with the slower photoisomerization process taking place in 94 ps. We further identified the underlying causes through theoretical calculations and potential routes towards improved photoisomerization efficiencies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Geologic hydrogen: a review of resource potential, subsurface dynamics, exploration, production, transportation, and research opportunities

Hydrogen is a versatile resource with critical roles in decarbonization, industrial manufacturing, and energy integration. However, most hydrogen today is produced from fossil fuels, resulting in high emissions and energy consumption. Although low-carbon hydrogen production methods, such as steam methane reforming with carbon capture and renewable-powered electrolysis, are advancing, their high costs hinder large-scale deployment. Identifying alternative pathways for producing low-cost, low-emission hydrogen is therefore essential. Geologic hydrogen, referring to natural and stimulated hydrogen generated in the Earth's subsurface, has attracted growing attention as a potential source of sustainable, economically viable, and environmentally favorable hydrogen. This paper provides a comprehensive review of geologic hydrogen, covering its resource potential, origins, migration and trapping mechanisms, exploration techniques, production strategies, and pipeline transportation. It also identifies key knowledge gaps and proposes a roadmap for future research. The review indicates that geologic hydrogen has vast resource potential and can leverage existing subsurface technologies and geophysical exploration methods. However, major challenges persist, including uncertain hydrogen generation rates, limited understanding and control of serpentinization processes, costly transportation infrastructure, the lack of validated techno-economic analysis, and potential social and environmental issues. As the field is still in its early stages, progress will require interdisciplinary collaboration spanning geoscience, engineering, economics, environmental science, and policy and regulation.

42 ENGINEERING↗
DOE OSTI2020

Gene editing and CRISPR in the clinic: current and future perspectives

Genome editing technologies, particularly those based on zinc-finger nucleases (ZFNs), transcription activator-like effector nucleases (TALENs), and CRISPR (clustered regularly interspaced short palindromic repeat DNA sequences)/Cas9 are rapidly progressing into clinical trials. Most clinical use of CRISPR to date has focused on ex vivo gene editing of cells followed by their re-introduction back into the patient. The ex vivo editing approach is highly effective for many disease states, including cancers and sickle cell disease, but ideally genome editing would also be applied to diseases which require cell modification in vivo. However, in vivo use of CRISPR technologies can be confounded by problems such as off-target editing, inefficient or off-target delivery, and stimulation of counterproductive immune responses. Current research addressing these issues may provide new opportunities for use of CRISPR in the clinical space. In this review, we examine the current status and scientific basis of clinical trials featuring ZFNs, TALENs, and CRISPR-based genome editing, the known limitations of CRISPR use in humans, and the rapidly developing CRISPR engineering space that should lay the groundwork for further translation to clinical application.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Rare‐Earth Reduction in High‐Speed PM‐Assisted Synchronous Reluctance Motors Using Hybrid Magnet Strategies and Design Optimisation for 800 V EVs

The trend towards electrifying transportation systems has stimulated research endeavours aimed at developing electric machines that are not only high speed and efficient but also low‐cost and compact. To support this transition, the US Department of Energy (DOE) has established ambitious targets of $7/kW cost and 12 kW/L power density for the electric drivetrains. This paper attempts to meet these targets by proposing high‐speed permanent magnet assisted synchronous reluctance machine (PMASynRM) topologies enabled by hybrid magnet strategies, combining rare‐earth (RE) magnets with low‐cost, RE‐free alternatives. Modified 2‐layer and 3‐layer U‐shaped rotor configurations, featuring structural reinforcements to withstand high mechanical stress at elevated speeds, are developed. A multi‐objective design optimisation framework is employed to optimise the rotor design, targeting reductions in RE magnet volume, magnet demagnetisation risk and torque ripple while achieving the desired electromagnetic performance. A comprehensive analysis of the optimised rotor designs, compared against a 16,000 rpm, 800 V baseline IPM motor, shows over 70% RE reduction, demagnetisation risk below 3.5% and torque ripple under 10%. Detailed analyses of performance trends across various magnet combinations and rotor configurations highlight the viability of hybrid magnet PMASynRM designs as cost‐effective, robust and energy‐efficient solutions for next‐generation EVs.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Decay of the Λ(1405) hyperon to Σ 0 π 0 measured at GlueX

Among the light baryons, the J π = 1/2 - Λ(1405) hyperon is an important special case as it sits just below the $N\bar{K}$ threshold and decays almost exclusively to Σ π . Some long-standing hypotheses for Λ(1405) are that it could be a $N\bar{K}$ bound state or a Σ π continuum resonance. It may also be considered as a simple quark-model resonance, the P -wave companion of the Λ(1520). In recent years chiral unitary models have suggested that there are two isospin zero poles present in this mass region, and that the “line shape" of the Λ(1405) depends to what extent each of the two poles are stimulated in a given reaction. Below the $N\bar{K}$ threshold, the Λ(1405) decays to the three Σ π charge combinations. The Σ 0 π 0 mode is purely I = 0 and it is uncontaminated by complications arising from I = 1 scattering processes contributing to the reaction mechanism in the Σ + π - and Σ - π + decays. It is also not affected from production and decay of the nearby Σ 0 (1385) hyperon. The GlueX experiment at Jefferson Lab has been used to study the Λ(1405) → Σ 0 π 0 decay mode. We focus on the preliminary results of dσ/dM Σ 0 π 0 and fits to the line shape of the Λ(1405) region in the -( t - t min ) range 0 - 1.5 GeV 2 from analyzing the reaction γp → K + Λ * using the data collected during the first phase of the GlueX program.

Wickramaarachchi, Nilanga↗
DOE OSTI2020

Measurement of the angular dependence of the spontaneous Raman scattering in anisotropic crystalline materials using spherical samples: Potassium dihydrogen phosphate as a case example

A specialized experimental configuration was created to allow for more-accurate characterization of the spontaneous Raman scattering properties in anisotropic materials. This need stems from the challenges, arising from the complexity of light propagation, in obtaining accurate measurements of the angular dependence of the Raman scattering cross section in birefringent materials. The nonlinear optical material KH 2 PO 4 (KDP) is used as a model medium. Our report is motivated by the need to improve our understanding and management of transverse stimulated Raman scattering in KDP crystals and its deuterated analog, DKDP, typically used for frequency conversion and polarization control in large-aperture laser systems. Key to this experimental platform is the use of high-quality spherical samples that enable one to measure the Raman scattering cross section in a wide range of geometries using only a single sample. The effect of polarization rotation of both the pump light and the collected Raman signal must be carefully considered in data analysis and can give rise to artifacts, which can, in part, be mitigated by reducing the input and collection cone angles.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Empirical correlations between the function of entropy ( Z S ) and net artificial viscous work in a shock physics hydrocode

Entropy is a state variable that may be obtained from any thermodynamically complete equation of state (EOS). However, hydrocode calculations that output the entropy often contain numerical errors; this is not because of the EOS, but rather the solution techniques that are used in hydrocodes (especially Eulerian) such as convection, remapping, and artificial viscosity. Here, in this work, empirical correlations are investigated to reduce the errors in entropy without altering the solution techniques for the conservation of mass, momentum, and energy. Specifically, these correlations are developed for the function of entropy Z S , and they depend upon the net artificial viscous work, as determined via Sandia National Laboratories’ shock physics hydrocode CTH. These results are a continuation of a prior effort to implement the entropy-based CREST reactive burn model in CTH, and they are presented here to stimulate further interest from the shock physics community. Future work is planned to study higher-dimensional shock waves, shock wave interactions, and possible ties between the empirical correlations and a physical law.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Contribution of cryogenic thermal cycling to the atomic dynamics in a La-based bulk metallic glass with different initial states

Structural rejuvenation in metallic glasses (MGs) induced by cryogenic thermal cycling has been intensively studied. However, the effect of thermal cycling on the atomic dynamics in MGs is still missing. In this work, we present a systematic study on the atomic dynamics in a La-based MG affected by sub-Tg annealing and thermal cycling. We find that the thermal cycling has little effect on the atomic dynamics in both as-cast and annealed MGs although it could significantly increase the free volume and change mechanical properties of the as-cast MG sample. In contrast, both the structure and mechanical properties of the well-relaxed sample are almost unchanged by thermal cycling. Further, the increased open volume, mainly in the form of atomic vacancies, does not greatly promote the atomic dynamics in the as-cast MG sample, indicating that the free volume induced by thermal cycling is not the key factor in stimulating the β-relaxation and the boson peak in the studied MG.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental determination of the thermal, turbulent, and rotational ion motion and magnetic field profiles in imploding plasmas

A tutorial is presented on advances in spectroscopic diagnostic methods developed for measuring key plasma properties in pulsed-power systems such as Z-pinches, magnetized-plasma compression devices, ion and electron diodes, and plasma switches. The parameters measured include the true ion temperature in Z-pinch implosions, which led to a discovery that much of the ion kinetic energy at stagnation is stored in hydrodynamic rather than in thermal motion. This observation contributed a new important insight into the understanding of the ion thermalization at stagnation and stimulated further investigations of turbulence at stagnation, discussed here too. The second part of this tutorial is devoted to the development of measurements for magnetic-field distributions in Z-pinches and in other pulsed-power systems, as well as their use in studying the plasma dynamics, resistivity, and pressure and energy balance. The latter study raises intriguing questions on the implosion process. In particular, in Z-pinches, the current during stagnation was found to largely flow at relatively large radii, outside the stagnation region. The magnetic-field measurements also enable investigations into the compression of a pre-magnetized cylindrical plasma that uncover striking phenomena related to the current flow, where the current was found to redistribute toward the outer regions during the implosion. Observation of the rotation of the magnetized plasma is also discussed. Lastly, experimental and theoretical investigations of a non-diffusive fast penetration of magnetic field into a low-density plasma, including its effect on the plasma dynamics, are described

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Preparation of high orbital angular momentum Rydberg states by optical-millimeter-wave STIRAP

Rydberg states of molecules are intrinsically challenging to study due to the presence of fast non-radiative decay pathways, such as predissociation. However, selectively exciting Rydberg states with values of the orbital angular momentum (ℓ) ℓ ≳ 3 is a productive strategy to minimize this rapid decay and to populate molecular Rydberg states with lifetimes that approach those of atoms. Here, in this proof-of-principle demonstration, we transfer population to an nf Rydberg state of the calcium atom by stimulated Raman adiabatic passage, in which an optical and a millimeter-wave field couple the initial and final states via an intermediate nd Rydberg state. Numerical simulations reproduce the observed time and frequency dependences of the population transfer and suggest the utility of this scheme to populate high-ℓ Rydberg states of molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Fast rise breakdown in dielectric filled air gap for surge protection

Electric discharge across an air gap can be self-healing, providing a unique capability for repetitive, fast, high-voltage/current switching applications through arc conduction. Furthermore, incorporating dielectric granules in the air gap stimulates gas ionization, which lowers the breakdown voltage and narrows breakdown voltage distribution, thereby enabling engineered surge protection from multiple lightning strikes on aerospace vehicles and sensitive solid-state electronics in critical systems. This study investigates the effect of the permittivity of dielectric granules, gap filling, surface roughness, and metal work function on fast-rising, high-voltage breakdowns. In addition to the air gap width, these factors play important roles in gas ionization, field concentration, and initiation of electrical discharge and arcing. Therefore, they could potentially be used to control and narrow operational breakdown voltages for practical applications. Additionally, a modified Langevin–Debye model is developed to correlate the breakdown voltage and the permittivity of the dielectric filler. These investigations identify and highlight key underpinning mechanisms governing the gas discharge behavior across a dielectric filled air gap during voltage surge events.

42 ENGINEERING↗
DOE OSTI2020

Laser propagation in a subcritical foam: Subgrid model

Here, we present a subgrid model for laser propagation in a subcritical foam. Our model describes the expansion of laser-irradiated foam elements that are below the resolution of the simulation grid and predicts the plasma conditions that result from burning down the foam. Our model can be included as a module within a larger multiphysics code, and we have implemented it within the code pF3D, which is used for simulating a laser-plasma interaction. The model predicts a reduced propagation velocity for a laser through a subcritical foam compared to simulating that foam as a homogeneous gas. This is attributed to the laser energy that goes into burning down the foam microstructure. We compare our model against experimental data by simulating a 2 mg/cc SiO 2 foam shot performed at the Janus laser facility at the Lawrence Livermore National Laboratory. pF3D simulations with the foam model predict hot ion temperatures. This leads to a reduction in the level of stimulated Brillouin scattering (SBS), bringing the simulated level of SBS into agreement with the data. Intensity fluctuations at the foam front due to laser speckles and refraction result in ion temperature fluctuations when the foam burns down. These drive long-lived electron density fluctuations on scales that are large compared to the pore size.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Laser transport and backscatter in low-density SiO 2 and Ta2O 5 foams

Experiments using a single 527 nm wavelength beam interacting with sub- and supercritical density SiO 2 and Ta 2 O 5 foams examined laser propagation and backscatter from laser–plasma instabilities such as Stimulated Brillouin Scattering (SBS). Two densities of each material were examined, and multiple diagnostics were used to characterize the propagation and backscatter. For 5 mg/cc SiO 2 (n e /n c = 0.375), the laser propagation distance was well approximated by treating the foam as a gas. However, for the 2 mg/cc SiO 2 foam (n e /n c = 0.15), the same model over-predicts the propagation distance by ~40%. Furthermore, existing analytical theories on propagation through subcritical foams were able to account for this difference. The laser heat wave propagated ~1/2 as far in Ta 2 O 5 than SiO 2 foams with similar electron density. We showed that this difference is due to the increased radiation losses in the higher Z foam. The fraction of backscattered light scales linearly with incident laser intensity for the range of intensities examined. Ta 2 O 5 foams had significantly lower levels of backscatter (1–3%) than the SiO 2 (4–8%), which is consistent with estimates of large Landau damping due to the presence of the oxygen atoms. The measured fraction of SBS backscattered laser energy for a 2 mg/cc SiO 2 foam shot was ~4 times lower than predicted by simulations assuming a gas-like foam. We found that we needed to assume increased ion heating such that T i /T e ~1.2–1.5 in the plasma to agree with the measured SBS reflectivity. Analytical models of laser-heated foams predict preferential heating of the ions as has been observed in previous experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Low mode implosion symmetry sensitivity in low gas-fill NIF cylindrical hohlraums

Achieving an efficient capsule implosion in National Ignition Facility indirect-drive target experiments requires symmetric hohlraum x-ray drive for the duration of the laser pulse. This is commonly achieved using two-sided two-cone laser irradiation of cylindrical hohlraums that, in principle, can zero the time average of all spherical harmonic asymmetry modes <6 as well as the time dependence of the usually dominant mode 2. In practice, experimental evidence indicates that maintaining symmetric drive becomes limited late in the pulse due to the inward expansion of the hohlraum wall and outward expansion of the capsule ablator plasmas impairing the propagation of the inner-cone laser beams. This effect is enhanced in hohlraums employing low gas-fill, now used almost exclusively as these provide the highest performing implosions and reduce Stimulated Brillouin and Raman backscatter losses, since the gas plasma provides less back pressure to limit blow-in of the hohlraum wall and capsule ablator plasmas. In order to understand this dynamic behavior, we combined multi-keV X-ray imaging of the wall and imploded fuel plasmas as we changed a single parameter at a time: hohlraum gas-fill, laser outer cone picket energy, radius of high density carbon capsules used, and laser beam polar and azimuthal pointing geometry. In this work, we developed a physics-based multi-parameter experimental scaling to explain the results that extend prior scalings and compare those to radiation hydrodynamic simulations to develop a more complete picture of how hohlraum, capsule, and laser parameters affect pole vs equator drive symmetry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Site-specific generation of excited state wavepackets with high-intensity attosecond x rays

High-intensity attosecond x rays can produce coherent superpositions of valence-excited states through two-photon Raman transitions. The broad-bandwidth, high-field nature of the pulses results in a multitude of accessible excited states. Multiconfigurational quantum chemistry with the time-dependent Schrödinger equation is used to examine population transfer dynamics in stimulated x-ray Raman scattering of the nitric oxide oxygen and nitrogen K-edges. Two pulse schemes initiate wavepackets of different characters and demonstrate how chemical differences between core-excitation pathways affect the dynamics. The population transfer to valence-excited states is found to be sensitive to the electronic structure and pulse conditions, highlighting complexities attributed to the Rabi frequency. The orthogonally polarized two- color-pulse setup has increased selectivity while facilitating longer, less intense pulses than the one-pulse setup. Population transfer in the 1s → Rydberg region is more effective but less selective at the nitrogen K-edge; the selectivity is reduced by double core-excited states. Result interpretation is aided by resonant inelastic x-ray scattering maps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Broadband 2DES detection of vibrational coherence in the S x state of canthaxanthin

The nonadiabatic mechanism that mediates nonradiative decay of the bright S 2 state to the dark S 1 state of carotenoids involves population of a bridging intermediate state, S x , in several examples. The nature of S x remains to be determined definitively, but it has been recently suggested that S x corresponds to conformationally distorted molecules evolving along out-of-plane coordinates of the isoprenoid backbone near a low barrier between planar and distorted conformations on the S 2 potential surface. Here, the electronic and vibrational dynamics accompanying the formation of S x in toluene solutions of the ketocarotenoid canthaxanthin (CAN) are characterized with broadband two-dimensional electronic spectroscopy (2DES) with 7.8 fs excitation pulses and detection of the linear polarization components of the third-order nonlinear optical signal. A stimulated-emission cross peak in the 2DES spectrum accompanies the formation of S x in <20 fs following excitation of the main absorption band. S x is prepared instantaneously, however, with excitation of hot-band transitions associated with distorted conformations of CAN’s isoprenoid backbone in the low frequency onset of the main absorption band. Vibrational coherence oscillation maps and modulated anisotropy transients show that S x undergoes displacements from the Franck–Condon S 2 state along out-of-plane coordinates as it passes to the S 1 state. The results are consistent with the conclusion that CAN’s carbonyl-substituted β-ionone rings impart an intramolecular charge-transfer character that frictionally slows the passage from S x to S 1 compared to carotenoids lacking carbonyl substitution. Despite the longer lifetime, the S 1 state of CAN is formed with retention of vibrational coherence after passing through a conical intersection seam with the S x state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Mapping wave packet bifurcation at a conical intersection in CH 3 I by attosecond XUV transient absorption spectroscopy

Extreme ultraviolet (XUV) transient absorption spectroscopy has emerged as a sensitive tool for mapping the real-time structural and electronic evolution of molecules. Here, attosecond XUV transient absorption is used to track dynamics in the A-band of methyl iodide (CH 3 I). Gaseous CH 3 I molecules are excited to the A-band by a UV pump (277 nm, ~20 fs) and probed by attosecond XUV pulses targeting iodine I(4d) core-to-valence transitions. Owing to the excellent temporal resolution of the technique, passage through a conical intersection is mapped through spectral signatures of nonadiabatic wave packet bifurcation observed to occur at 15 ± 4 fs following UV photoexcitation. The observed XUV signatures and time dynamics are in agreement with previous simulations [H. Wang, M. Odelius, and D. Prendergast, J. Chem. Phys. 151, 124106 (2019)]. Furthermore, due to the short duration of the UV pump pulse, coherent vibrational motion in the CH 3 I ground state along the C-I stretch mode (538 ± 7 cm -1 ) launched by resonant impulsive stimulated Raman scattering and dynamics in multiphoton excited states of CH 3 I are also detected.

36 MATERIALS SCIENCE↗