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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Bacterial microcompartments as a next-generation metabolic engineering tool: utilizing nature's solution for confining challenging catabolic pathways

Advancements in synthetic biology have facilitated the incorporation of heterologous metabolic pathways into various bacterial chassis, leading to the synthesis of targeted bioproducts. However, total output from heterologous production pathways can suffer from low flux, enzyme promiscuity, formation of toxic intermediates, or intermediate loss to competing reactions, which ultimately hinder their full potential. The self-assembling, easy-to-modify, protein-based bacterial microcompartments (BMCs) offer a sophisticated way to overcome these obstacles by acting as an autonomous catalytic module decoupled from the cell's regulatory and metabolic networks. More than a decade of fundamental research on various types of BMCs, particularly structural studies of shells and their self-assembly, the recruitment of enzymes to BMC shell scaffolds, and the involvement of ancillary proteins such as transporters, regulators, and activating enzymes in the integration of BMCs into the cell's metabolism, has significantly moved the field forward. These advances have enabled bioengineers to design synthetic multi-enzyme BMCs to promote ethanol or hydrogen production, increase cellular polyphosphate levels, and convert glycerol to propanediol or formate to pyruvate. These pioneering efforts demonstrate the enormous potential of synthetic BMCs to encapsulate non-native multi-enzyme biochemical pathways for the synthesis of high-value products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Two-neutron knockout as a probe of the composition of states in Mg 22 , Al 23 , and Si 24

Simpson and Tostevin proposed that the width and shape of exclusive parallel momentum distributions of the A - 2 residue in direct two-nucleon knockout reactions carry a measurable sensitivity to the nucleon single-particle configurations and their couplings within the wave functions of exotic nuclei. We further report here on the first benchmarks and use of this new spectroscopic tool. Exclusive parallel momentum distributions for states in the neutron-deficient nuclei Mg 22 , Al 23 , and Si 24 populated in such direct two-neutron removal reactions were extracted and compared to predictions combining eikonal reaction theory and shell-model calculations. For the well-known Mg 22 and Al 23 nuclei, measurements and calculations were found to agree, supporting the dependence of the parallel momentum distribution width on the angular momentum composition of the shell-model two-neutron amplitudes. In Si 24 , a level at 3439(9) keV, of relevance for the important Al 23 ( p , γ ) Si 24 astrophysical reaction rate, was confirmed to be the 2 2 + state, whereas the 4 1 + state, expected to be strongly populated in two-neutron knockout, was not observed. This puzzle is resolved by theoretical considerations of the Thomas-Ehrman shift, which also indicates that a previously reported 3471-keV state in Si 24 is, in fact, the ( 0 2 + ) level with one of the largest experimental mirror-energy shifts ever observed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Solvent Influence on the Magnetization and Phase of Fe-Ni Alloy Nanoparticles Generated by Laser Ablation in Liquids

The synthesis of bimetallic iron-nickel nanoparticles with control over the synthesized phases, particle size, surface chemistry, and oxidation level remains a challenge that limits the application of these nanoparticles. Pulsed laser ablation in liquid allows the properties tuning of the generated nanoparticles by changing the ablation solvent. Organic solvents such as acetone can minimize nanoparticle oxidation. Yet, economical laboratory and technical grade solvents that allow cost-effective production of FeNi nanoparticles contain water impurities, which are a potential source of oxidation. Here, we investigated the influence of water impurities in acetone on the properties of FeNi nanoparticles generated by pulsed laser ablation in liquids. To remove water impurities and produce “dried acetone”, cost-effective and reusable molecular sieves (3 Å) are employed. The results show that the Fe50Ni50 nanoparticles’ properties are influenced by the water content of the solvent. The metastable HCP FeNi phase is found in NPs prepared in acetone, while only the FCC phase is observed in NPs formed in water. Mössbauer spectroscopy revealed that the FeNi nanoparticles oxidation in dried acetone is reduced by 8% compared to acetone. The high-field magnetization of Fe50Ni50 nanoparticles in water is the highest, 68 Am2/kg, followed by the nanoparticles obtained after ablation in acetone without water impurities, 59 Am2/kg, and acetone, 52 Am2/kg. The core-shell structures formed in these three liquids are also distinctive, demonstrating that a core-shell structure with an outer oxide layer is formed in water, while carbon external layers are obtained in acetone without water impurity. The results confirm that the size, structure, phase, and oxidation of FeNi nanoparticles produced by pulsed laser ablation in liquids can be modified by changing the solvent or just reducing the water impurities in the organic solvent.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Coaxial Direct Ink Writing of Cholesteric Liquid Crystal Elastomers in 3D Architectures

Abstract Cholesteric liquid crystal elastomers (CLCEs) hold great promise for mechanochromic applications in anti‐counterfeiting, smart textiles, and soft robotics, thanks to the structural color and elasticity. While CLCEs are printed via direct ink writing (DIW) to fabricate free‐standing films, complex 3D structures are not fabricated due to the opposing rheological properties necessary for cholesteric alignment and multilayer stacking. Here, 3D CLCE structures are realized by utilizing coaxial DIW to print a CLC ink within a silicone ink. By tailoring the ink compositions, and thus, the rheological properties, the cholesteric phase rapidly forms without an annealing step, while the silicone shell provides encapsulation and support to the CLCE core, allowing for layer‐by‐layer printing of self‐supported 3D structures. As a demonstration, free‐standing bistable thin‐shell domes are printed. Color changes due to compressive and tensile stresses can be witnessed from the top and bottom of the inverted domes, respectively. When the domes are arranged in an array and inverted, they can snap back to their base state by uniaxial stretching, thereby functioning as mechanical sensors with memory. The additive manufacturing platform enables the rapid fabrication of 3D mechanochromic sensors thereby expanding the realm of potential applications for CLCEs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterizing and improving the performance of molten-salt-steam heat exchangers in concentrating solar power plants

Shell-and-tube heat exchangers (HXs) for steam generation from molten salts in concentrating solar power (CSP) plants experience thermal fatigue due to significant temperature gradients and inherent transient operation. Molten salt-steam HX design lifespans exceed actual lifespans, and, as a consequence, designers overpredict plant profitability and operators neglect appropriate prescriptions to optimize these lifetimes. Here, this study refines HX lifespan estimates with data benchmarked against thermal-fluid mechanical modeling of stress and accumulated fatigue. Reduced-order thermal models of the molten salt-steam, shell-and-tube evaporator and superheater predict transient temperature profiles along the two HXs salt-steam flow paths. The modeled evaporator and superheater temperature profiles enable assessment of cyclic stresses within the HX tubesheets, where molten-salt HX failures are most common. Evaporator and superheater performance data from a current 110 MW elec commercial CSP plant provide a basis for validating the reduced-order HX models. HX life predictions derived from stochastic failure distributions serve as inputs for simulating and optimizing existing plant operations. The impact of the updated lifespans on overall plant revenue depends on operating scenarios. This study suggests that typical ramping rates for a CSP plant with a high-temperature Rankine cycle result in an evaporator and superheater life of approximately 10 and 25 years, respectively, compared to the design target of 30 years. Reduced HX lifespans decrease operational plant revenue on average by 4.6-5.1%. Furthermore, there may be as many as four HX replacements over the 30-year lifetime of the plant; and, purchase agreement loss due to failure to meet contractual production requirements can have ramifications that include the risk of bankruptcy.

14 SOLAR ENERGY↗
DOE OSTI2023

Influence of clay mineral weathering on green rust formation at iron-reducing conditions

Green rusts (GR) are important drivers for trace metal and nutrient cycling in suboxic environments. We investigated whether green rusts would incorporate aluminum (Al) or other elements from naturally-formed clay minerals containing easily-weatherable clay minerals (e.g. mica, interlayered clays). We isolated the clay minerals from a Matapeake silt loam soil by removal of silt and sand, organic matter, and reducible oxides to study mechanisms of interaction between Fe(II) and soil-sourced clay minerals. We conducted batch Fe(II) sorption experiments at multiple near-neutral pHs (6.5–7.5) and reaction times (2h–365 days). Mineral transformations were characterized by selective extractions, X-ray diffraction (XRD), and Fe X-ray absorption spectroscopy (XAS) analyzed by shell-fitting and linear combination fitting (LCF) with natural and synthetic standards. Clay mineral fraction contained a mixture of quartz, kaolinite, interlayered vermiculite, mica, and chlorite with significant structural Fe (2.6% wt). Uptake of Fe(II) increased with pH and kinetics were rapid until 5 days, followed by slow continuous Fe(II) uptake. Citrate-bicarbonate desorption kinetics from Fe(II) sorbed clay released more Al and silicon (Si) compared with unreacted soil clay fraction whereas magnesium (Mg) and potassium (K) were unaffected. Citrate-bicarbonate extracted Fe contained more Fe(II) than an ideal GR with an Fe(II)/Fe(III) molar ratio of 5.50. Analysis of the Fe EXAFS by both LCF and shell fitting was best modeled as a combination of Fe(III)-clay reduction to Fe(II) and precipitation of GR and Fe(II)-Al LDH. After 7 days of Fe(II) sorption, LCF identified 55.2% total Fe in clay, 33.4% GR(Cl) and 11.4% Fe(II)-Al LDH. Further, these results provide novel evidence of Fe(II)-Al LDHs precipitating on naturally-formed soil clay minerals as a minor phase to GR. The geochemical implications are that GRs formed in soils and sediments should be considered to have Al and Si as well as Mg substitutions affecting their structure and reactivity.

58 GEOSCIENCES↗
DOE OSTI2023

Thermohydraulic experiments on a supercritical carbon dioxide–air microtube heat exchanger

Heat exchangers are critical components in supercritical CO 2 Brayton cycles and provide necessary heat input, recovery, and dissipation. Tubular heat exchangers with unconventionally small tube sizes (tube diameters less than 5 mm) are promising components for supercritical CO 2 cycles and potentially provide excellent structural stability with wide scope of application. This paper provides essential design and fabrication guidelines for a compact shell-and-tube heat exchanger with microtubes (with an inner diameter equal to 1.75 mm). A heat exchanger test rig is used to evaluate the thermohydraulic performance of this heat exchanger with supercritical CO 2 and air as working fluids. Thermohydraulic data are reported for more than forty sets of experiments with varying Reynolds numbers for shell and tube flows. Critical performance metrics are calculated from the data and compared with predictions from a previously described numerical model. The average deviations between the experimental and model results fall within 10% for all critical metrics. This excellent agreement validates the numerical model for supercritical CO 2 heat exchanger optimization and scale-up.

42 ENGINEERING↗
DOE OSTI2026

Quantitative SANS and multi-model analysis of spacer-dependent micellization of urea-based gemini surfactants

The micellization behavior of urea-based cationic gemini surfactants was investigated using small-angle neutron scattering (SANS) with multi-model form factor analysis. A homologous series of surfactants with urea group included in the hydrophobic tail and polymethylene spacers consisting of two to ten methylene units was analyzed using three form factor models: a core–shell ellipsoid and two variants of homogeneous ellipsoids. The results from all models show a consistent trend of the micelle structures, confirming that the spacer length critically influences micellar geometry, aggregation number, and hydration. The surfactant with four CH 2 groups in the spacer formed the largest micelles with the highest aggregation number, while longer spacers led to progressively smaller, more compact aggregates. The shell hydration—quantified as the volume fraction of heavy water within the hydrophilic region—decreased systematically with increasing spacer length due to enhanced hydrophobicity of the headgroup-spacer region. Intermicellar interactions, modeled as screened Coulomb interaction using the rescaled mean spherical approximation (RMSA), revealed the strongest electrostatic repulsion for the case of four methylene groups in the spacer, corresponding to the highest micellar charge and largest interparticle spacing. The observed spacer-dependent trends were robust across all modeling approaches, demonstrating that the spacer length serves as a key structural determinant of self-assembly in this type of urea-based gemini systems. These findings provide insight into the design of gemini surfactants with tailored aggregation behavior for applications in drug delivery, nanostructure templating, and solubilization technologies.

Core–shell ellipsoid model↗
DOE OSTI2020

Chiral three-nucleon force and continuum for dripline nuclei and beyond

Three-nucleon force and continuum play important roles in reproducing the properties of atomic nuclei around driplines. Therefore it is valuable to build up a theoretical framework where both effects can be taken into account to solve the nuclear Schrödinger equation. To this end, in this letter, we have expressed the chiral three-nucleon force within the continuum Berggren representation, so that bound, resonant and continuum states can be treated on an equal footing in the complex-momentum space. To reduce the model dimension and computational cost, the three-nucleon force is truncated at the normal-ordered two-body level and limited in the sd-shell model space, with the residual three-body term being neglected. We choose neutron-rich oxygen isotopes as the test ground because they have been well studied experimentally, with the neutron dripline determined. The calculations have been carried out within the Gamow shell model. The quality of our results in reproducing the properties of oxygen isotopes around the neutron dripline shows the relevance of the interplay between three-nucleon force and the coupling to continuum states. We also analyze the role played by the chiral three-nucleon force, by dissecting the contributions of the 2π exchange, 1π exchange and contact terms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The roles of three-nucleon force and continuum coupling in mirror symmetry breaking of oxygen mass region

With both three-nucleon force and continuum coupling included, we have developed a self-consistent ab initio Gamow shell model within the Gamow Hartree-Fock (GHF) basis obtained by the realistic interaction itself. With the chiral two-nucleon N 3 LO and three-nucleon N 2 LO interactions, the Gamow shell model has been applied to the mirror systems of Z = 8 neutron-rich isotopes and N = 8 proton-rich isotones, giving good agreements with data in binding energies, dripline positions and excitation spectra. The GHF calculated that the 0 ds/2 , 1 S1/2 and 1 p3/2 orbitals are resonances. The resonance states and their interplay with nonresonant continua play a crucial role in the descriptions of nuclei around driplines. Excitation spectra and Thomas-Ehrman shifts observed can be better described when both three-nucleon force and continuum coupling are considered in calculations. The three-nucleon force and continuum coupling produce a combined effect on the Thomas-Ehrman shift, e.g., for the 1/2 + resonance level of 19Na. The calculations help the understandings of related nuclear astrophysical processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Intruder configurations in 29 Ne at the transition into the island of inversion: Detailed structure study of 28 Ne

Detailed γ-ray spectroscopy of the exotic neon isotope 28 Ne has been performed for the first time using the one-neutron removal reaction from 29 Ne on a liquid hydrogen target at 240 MeV/nucleon. Based on an analysis of parallel momentum distributions, a level scheme with spin-parity assignments has been constructed for 28 Ne and the negative-parity states are identified for the first time. The measured partial cross sections and momentum distributions reveal a significant intruder p-wave strength providing evidence of the breakdown of the N=20 and N=28 shell gaps. Only a weak, possible f-wave strength was observed to bound final states. Large-scale shell-model calculations with different effective interactions do not reproduce the large p-wave and small f-wave strength observed experimentally, indicating an ongoing challenge for a complete theoretical description of the transition into the island of inversion along the Ne isotopic chain.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Development of deformed intruder structures along the N=50 magic number: Insights from 83 Se

The 83 Se nucleus was studied in the context of shape coexistence employing a 82 Se(d,p) 83 Se reaction performed in inverse kinematics with the GALILEO-II + SPIDER setup to reach the desired selectivity on the reaction channel of interest via γ -particle coincidences. The lifetimes of the 1/2 + 540-keV and 3/2$^{+}_{3}$ 1100-keV low-lying intruder states of 83 Se were measured for the first time by employing the Recoil Distance Doppler Shift and the Doppler Shift Attenuation Method. The deduced transition probabilities, together with the mixing ratios obtained from a separate neutron-capture experiment performed at ILL with the FIPPS array, are compared and discussed in the framework of shell-model calculations performed with the PFSDG-U Hamiltonian. Large transition probabilities of hundreds of e 2 fm 4 were found for the E 2 decays of the states built on top of the intruders, pointing to the development of quadrupole collectivity and large deformation in the proximity of N = 50 shell closure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Impact of the continuum on the γ decay of the lowest 2 + states in 14 C

The half-life, T 1/2 =14.6(33) fs, of the 7012-keV 2$^{+}_{1}$ state in 14 C was measured in an experiment employing the 9 Be( 6 Li,pγ) fusion-evaporation reaction and the GODDESS setup. The γ decay from the 2$^{+}_{2}$ near-threshold resonance, located 142 keV above the 8176-keV neutron-emission threshold, was also investigated. An upper limit of 4.0 × 10 –5 was established for the γ-decay branching ratio with respect to the neutron-decay channel. The B(E2) transition probabilities for these 2$^{+}_{1}$ and 2$^{+}_{2}$ states were compared to predictions from the Shell Model Embedded in the Continuum (SMEC). Significant modifications of these B(E2) probabilities, with respect to the standard shell model, are expected due to the coupling to the continuum. For calculations using the YSOX interaction, agreement was found for large negative values of V 0 , the coupling constant to the continuum. The central value V 0 = −645 MeV fm 3 results in a retardation by a factor ∼ 3.5 for the 2$^{+}_{1}$ → 0$^{+}_{1}$ transition, and an enhanced probability by a factor ∼ 2.5 for the γ-decay out of the 2$^{+}_{2}$ state. The latter factor reflects the effect of collectivization of the 2$^{+}_{2}$ excitation when the coupling to the continuum is taken into account.

14C↗
DOE OSTI2021

Establishing a unified framework for ion solvation and transport in liquid and solid electrolytes

Electrolytes used in rechargeable batteries must enable rapid translation of the working ion between macroscopically separated electrodes. These electrolytes are, however, usually designed and synthesized using atomic-level insights. Whether the ideal electrolyte for a particular battery is a solid or a liquid remains an important unresolved question, especially as solids with conductivities comparable with liquids are discovered. Here, to help resolve such questions, we present the first steps toward a unified framework for relating atomic and continuum scale phenomena. Solvation shells in liquids are entities that translate with the working ion for a short while before they break up due to Brownian motion. By contrast, solvation cages in classical solids and polymers cannot not translate with the working ion. Mobility of the entities that make up the cages and shells, which is quantified by an order parameter, is shown to influence translation of the working ion on continuum length scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Infrared Imaging Using Thermally Stable HgTe/CdS Nanocrystals

Transferring nanocrystals (NCs) from the laboratory environment toward practical applications has raised new challenges. HgTe appears as the most spectrally tunable infrared colloidal platform. Its low-temperature synthesis reduces the growth energy cost yet also favors sintering. Once coupled to a read-out circuit, the Joule effect aggregates the particles, leading to a poorly defined optical edge and large dark current. Here, in this study, we demonstrate that CdS shells bring the expected thermal stability (no redshift upon annealing, reduced tendency to form amalgams, and preservation of photoconduction after an atomic layer deposition process). The electronic structure of these confined particles is unveiled using k.p self-consistent simulations showing a significant exciton binding energy of ~ 200 meV. After shelling, the material displays a p-type behavior that favors the generation of photoconductive gain. The latter is then used to increase the external quantum efficiency of an infrared imager, which now reaches 40% while presenting long-term stability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Applying a Phase-Separation Parameterization in Modeling Secondary Organic Aerosol Formation from Acid-Driven Reactive Uptake of Isoprene Epoxydiols under Humid Conditions

Secondary organic aerosol (SOA) from acid-driven reactive uptake of isoprene epoxydiols (IEPOX) contributes up to 40% of organic aerosol (OA) mass in fine particulate matter. Our previous work showed substantial conversions of particulate inorganic sulfates to surface-active organosulfates (OSs) by IEPOX decreases aerosol acidity and creates a viscous organic-rich shell that poses as a diffusion barrier, inhibiting additional reactive uptake of IEPOX. In this study, to account for this “self-limiting” effect, a phase-separation box model was developed to evaluate parameterizations of IEPOX reactive uptake against time-resolved chamber measurements of IEPOX-SOA tracers, including 2-methyltetrols (2-MT) and methyltetrol sulfates (MTS), at ~ 50% relative humidity. The phase-separation model was most sensitive to mass accommodation coefficient, IEPOX diffusivity in the organic shell, and ratio of the third-order reaction rate constants forming 2-MT and MTS (k MT /k MTS ). In particular, k MT /k MTS had to be lower than 0.1 to bring model predictions of 2-MT and MTS in closer agreement with chamber measurements, while prior studies reported values larger than 0.71. The model-derived rate constants favor more particulate MTS formation due to 2-MT likely off-gassing at ambient-relevant OA loadings. Incorporating this parametrization into chemical transport models is expected to predict lower IEPOX-SOA mass and volatility due to the predominance of OSs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Electromagnetic properties of indium isotopes illuminate the doubly magic character of 100 Sn

Understanding the nuclear properties in the vicinity of 100 Sn, which has been suggested to be the heaviest doubly magic nucleus with proton number Z equal to neutron number N, has been a long-standing challenge for experimental and theoretical nuclear physics. In particular, contradictory experimental evidence exists regarding the role of nuclear collectivity in this region of the nuclear chart. Here, we provide further evidence for the doubly magic character of 100 Sn by measuring the ground-state electromagnetic moments and nuclear charge radii of indium (Z = 49) isotopes as N approaches 50 from above using precision laser spectroscopy. Our results span almost the complete range between the two major closed neutron shells at N = 50 and N = 82 and reveal parabolic trends as a function of the neutron number, with a clear reduction towards these two closed neutron shells. Furthermore, a detailed comparison between our experimental results and numerical results from two complementary nuclear many-body frameworks (density functional theory and ab initio methods) exposes deficiencies in nuclear models and establishes a benchmark for future theoretical developments.

100Sn↗