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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Trade-off between processability and device performance in donor–acceptor semiconductors revealed using discrete siloxane side chains

Donor–acceptor polymeric semiconductors are crucial for state-of-the-art applications, such as electronic skin mimics. The processability, and thus solubility, of these polymers in benign solvents is critical and can be improved through side chain engineering. Nevertheless, the impact of novel side chains on backbone orientation and emerging device properties often remains to be elucidated. Here, we investigate the influence of elongated linear and branched discrete oligodimethylsiloxane (oDMS) side chains on solubility and device performance. Thereto, diketopyrrolopyrrole–thienothiophene polymers are equipped with various oDMS pendants (PDPPTT-Si n ) and subsequently phase separated into lamellar domains. The introduction of a branching point in the siloxane significantly enhanced the solubility of the polymer, as a result of increased backbone distortion. Simultaneously, the charge carrier mobility of the polymers decreased by an order of magnitude upon functionalization with long and/or branched siloxanes. This work unveils the intricate balance between processability and device performance in organic semiconductors, which is key for the development of next-generation electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Genetic control of morphological transitions in a coacervating protein template

Nature routinely exploits liquid–liquid phase separation (LLPS) of proteins to control the assembly and mineralization of hybrid materials. Here, we show that fusion of the Car9 silica-binding peptide to an elastin-like polypeptide (ELP) yields temperature- and sequence-programmable soft matter templates for the synthesis of silicified architectures ranging in size from nanometers to micrometers. Specifically, we demonstrate unprecedented control over the diameter of silica nanoparticles (SiNP) in the 30–60 nm range with 4 nm precision, show that a single arginine residue (R4) in the Car9 sequence underpins the transition from micelles to proteinosomes, and find that substitutions in other basic residues modulate electrostatic repulsion and solvation to enable access to kinetically trapped species. These structures, which include interconnected micelles, small (∼200 nm) and large (>5 µm) vesicles, are readily visualized by SEM imaging following silicification. Molecular dynamics (MD) simulations and AlphaFold predictions reveal that mutations in positively charged residues alter interfacial packing, hydration, and conformational freedom of the silica-binding segments. Overall, our results establish sequence and thermal energy as synergistic levers for morphological control across length scales using solid-binding ELPs and establish mineralization as a powerful tool to visualize the structure of dynamic soft matter assemblies.

hierarchy↗
DOE OSTI2026

Microstructure-dependent particulate populations in ODS steels revealed by single-particle ICP-TOF-MS

In this work, we evaluated the ability of single-particle inductively coupled plasma time-of-flight mass spectrometry (SP-ICP-TOF-MS) to characterize particulates generated from 300 series stainless steels and oxide dispersion–strengthened (ODS) steels. Particulates were produced using two different rotary tools (cutting disk and grinding bit) to assess the influence of particle generation on effluent particulates. Across all materials and preparation techniques, SP-ICP-TOF-MS detected a substantial population of particles containing the expected constituent elements, with average compositions closely matching the nominal alloy values. A secondary population of Y-bearing particles was evident in ODS steels; their formation is strongly favored in particulates generated using the grinding bit. Specifically, in PM2000, Y-bearing particles were predominantly colocated with Al, whereas in 14YWT, Y-bearing particles were less frequently Fe-free but showed stronger colocation with Ti. These trends are consistent with the known microstructural differences between Y–Al–O oxide particles in PM2000 and finer Y–Ti–O nanoclusters in 14YWT. Together, these results demonstrate that SP-ICP-TOF-MS can resolve distinct particulate populations in complex, multicomponent steels at the femtogram mass scale, enabling particle-resolved insight into microstructure-driven phase separation and preparation-dependent particle generation.

Brubaker, Zach E. [Oak Ridge National Laboratory (↗
DOE OSTI2026

Multiphasic droplet microfluidics platform for controlled bacteria and mammalian cell co-culture

Microfluidics has revolutionized high-throughput miniaturized biological assays. However, co-culture of mammalian cells and bacteria remains challenging in microfluidic systems due to incompatible growth requirements, limited spatial control, and the requirement for a mammalian cell adhesion matrix. Here, we present a microfluidic platform that generates multiphasic droplets which encapsulate mammalian and bacterial cells, enabling their direct and indirect co-culture. By combining photopolymerizable hydrogels with polymer phase separation, we generate core–shell droplets composed of a liquid and a hydrogel compartment. The hydrogel compartment supports mammalian cell adhesion and culture, while the liquid compartment sustains bacterial growth. We demonstrate two droplet architectures that allow physical bacteria–mammalian cell contacts or enforce complete physical separation, representing direct and indirect co-culture. Our multiphasic droplets are stable, customizable, able to sustain co-culture for over 24 hours, and compatible with fluorescence-based cell sorting technologies. Overall, our multiphasic droplet microfluidic platform provides a scalable and versatile tool for high-throughput co-culture and screening of host–microbe interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Toward precision cosmochronology

The continuous cooling of a white dwarf is punctuated by events that affect its cooling rate. The most significant of these events is the crystallization of its core, a phase transition that occurs once the C/O interior has cooled down below a critical temperature. This transition releases latent heat, as well as gravitational energy due to the redistribution of the C and O ions during solidification, thereby slowing down the evolution of the white dwarf. The unambiguous observational signature of core crystallization–a pile-up of objects in the cooling sequence–was recently reported. However, existing evolution models struggle to quantitatively reproduce this signature, casting doubt on their accuracy when used to measure the ages of stellar populations. The timing and amount of the energy released during crystallization depend on the exact form of the C/O phase diagram. Using the advanced Gibbs–Duhem integration method and state-of-the-art Monte Carlo simulations of the solid and liquid phases, we obtained a very accurate version of this phase diagram that allows a precise modeling of the phase transition. Despite this improvement, the magnitude of the crystallization pile-up remains underestimated by current evolution models. We conclude that latent heat release and O sedimentation alone are not sufficient to explain the observations, and that other unaccounted physical mechanisms, possibly 22 Ne phase separation, play an important role.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Dam-Break Flow Measurements of Liquid–Granular Mixtures in a Channelized Reservoir

Dam-break flows of granular materials exhibit a complex non-Newtonian rheology, which is strongly influenced by various factors, such as the characteristics of the granular material, the degree of initial compaction, and saturation level of the granular matrix. Specially adapted nonintrusive techniques are required to investigate these flows in the laboratory. This paper investigated the nonintrusive technique of image analysis. The methodologies used in the measurement of bulk flow parameters, such as flow depth, front velocity, and flow rate, and the extraction of detailed flow characteristics such as velocity profiles, were discussed in the context of a series of granular dam-break flow experiments. These experiments were performed under three types of initial conditions: dry, saturated (water filling the pore space), and submerged (a layer of saturated granular material submerged under water) using four types of granular materials—PET pellets, crushed walnut shells, urea, and sand—with grain sizes ranging from 200 μm to 2.9 mm. High-speed cameras were used to capture the evolution and local properties of the flow, such as velocity fields using particle image velocimetry (PIV). Bulk properties of the flow were obtained by tracking the surface profile of the granular matrix and the water table. The extracted profiles were used to measure the evolution of the volume of the granular matrix and the fluid phase separately upstream and downstream of the gate, which allowed measuring the dilatancy (increase in pore space). The study showed that the image analysis techniques are versatile and can be adapted to measure different flow parameters in a variety of granular flows to better understand and analyze their complex behavior. Finally, the advantages and drawbacks of each image analysis technique were discussed and best-practice recommendations were provided.

42 ENGINEERING↗
DOE OSTI2016

Study on characteristics of PVDF/nano-clay composite polymer electrolyte using PVP as pore-forming agent

Polyvinylidene fluoride (PVDF) based polymer electrolytes have a high dielectric constant, which can assist in greater ionization of lithium salts. The main advantages of PVDF are its durability in long battery operation and its ability to be a good ion conductor. However, the limitation of this polymer is its crystalline molecular structure. Dispersing nano-particles in the polymer matrix may improve the characteristics of the PVDF polymer. This paper aims to investigate the impact of nano-clay addition on the characteristics of PVDF polymer to be used as a polymer electrolyte membrane. In addition, the effect of poly(vinyl pyrrolidone) (PVP) is also investigated. The membrane was prepared by phase separation method whereas the polymer electrolyte membranes was prepared by immersing into 1 M lithium hexafluorophosphate (LiPF{sub 6}) in ethylene carbonate/dimethyl carbonate (EC/DMC) electrolytes for 1 h. The membranes were characterized by scanning electron microscope (SEM), porosity and electrolyte uptake and performance in battery cell. The results showed that both nano-clay and PVP have significant impacts on the improvement of PVDF membranes to be used as polymer electrolyte.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Growth far from equilibrium: Examples from III-V semiconductors

The development of new applications has driven the field of materials design and synthesis to investigate materials that are not thermodynamically stable phases. Materials which are not thermodynamically stable can be synthesized and used in many applications. These materials are kinetically stabilized during use. The formation of such metastable materials requires both an understanding of the associated thermochemistry and the key surface transport processes present during growth. Phase separation is most easily accomplished at the growth surface during synthesis where mass transport is most rapid. These surface transport processes are sensitive to the surface stoichiometry, reconstruction, and chemistry as well as the growth temperature. The formation of new metastable semiconducting alloys with compositions deep within a compositional miscibility gap serves as model systems for the understanding of the surface chemical and physical processes controlling their formation. The GaAs{sub 1−y}Bi{sub y} system is used here to elucidate the role of surface chemistry in the formation of a homogeneous metastable composition during the chemical vapor deposition of the alloy system.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Composite Nafion 117-TMSP membrane for Fe-Cr redox flow battery applications

The modification of Nafion 117 - TMSP (trimethoxysylilprophanthiol) composite membrane has been conducted by in-situ sol-gel method followed by characterization of structural and properties of material using spectroscopic techniques. The performance of composite membrane has then been examined in the single stack module of Fe-Cr Redox Flow Battery. It was found that the introduction of silica from TMSP through sol-gel process within the Nafion 117 membrane produced composite membrane that has slightly higher proton conductivity values as compared to the pristine of Nafion 117 membrane observed by electrochemical impedance spectroscopy. The degree of swelling of water in the composite membrane demonstrated greatly reduced than a pristine Nafion 117 signifying low water cross over. The SEM-EDX measurements indicated that there was no phase separation occurred suggesting that silica nanoparticles are distributed homogeneously within the composite membrane. The composite membrane used as separator in the system of Fe-Cr Redox Flow Battery revealed no cross mixing (crossover) occurred between anolyte and catholyte in the system as observed from the total voltage measurements that closed to the theoretical value. The battery efficiency generally increased as the volume of the electrolytes enlarged.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Superconducting properties of Nb-Cu nano-composites and nano-alloys

The evolution of the superconducting transition temperature (T{sub c}) in nano-composite and nano-alloys of Nb-Cu, grown by DC magnetron co-sputtering are investigated. Microstructure of these films depends less strongly on the ratio of Nb:Cu but more on the growth temperature. At higher growth temperature, phase separated granular films of Nb and Cu were formed which showed superconducting transition temperatures (T{sub c}) of ~ 7.2±0.5 K, irrespective of the composition. Our results show that this is primarily influenced by the microstructure of the films determined during growth which rules out the superconducting proximity effect expected in these systems. At room temperature growth, films with nano-scale alloying were obtained at the optimal compositional range of 45-70 atomic% (At%) of Nb. These were also superconducting with a T{sub c} of 3.2 K.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Incorporation of dopant impurities into a silicon oxynitride matrix containing silicon nanocrystals

Dopant impurities, such as gallium (Ga), indium (In), and phosphorus (P), were incorporated into silicon-rich silicon oxynitride (SRSON) thin films by the ion implantation technique. To form silicon nanoparticles, the implanted layers were thermally annealed at temperatures up to 1100 °C for 60 min. This thermal treatment generates a phase separation of the silicon nanoparticles from the SRSON matrix in the presence of the dopant atoms. We report on the position of the dopant species within the host matrix and relative to the silicon nanoparticles, as well as on the effect of the dopants on the crystalline structure and the size of the Si nanoparticles. The energy-filtered transmission electron microscopy technique is thoroughly used to identify the chemical species. The distribution of the dopant elements within the SRSON compound is determined using Rutherford backscattering spectroscopy. Energy dispersive X-ray mapping coupled with spectral imaging of silicon plasmons was performed to spatially localize at the nanoscale the dopant impurities and the silicon nanoparticles in the SRSON films. Three different behaviors were observed according to the implanted dopant type (Ga, In, or P). The In-doped SRSON layers clearly showed separated nanoparticles based on indium, InOx, or silicon. In contrast, in the P-doped SRSON layers, Si and P are completely miscible. A high concentration of P atoms was found within the Si nanoparticles. Lastly, in Ga-doped SRSON the Ga atoms formed large nanoparticles close to the SRSON surface, while the Si nanoparticles were localized in the bulk of the SRSON layer. In this work, we shed light on the mechanisms responsible for these three different behaviors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structure of amorphous GeSe{sub 9} by neutron diffraction and first-principles molecular dynamics: Impact of trajectory sampling and size effects

The structure of glassy GeSe{sub 9} was investigated by combining neutron diffraction with density-functional-theory-based first-principles molecular dynamics. In the simulations, three different models of N = 260 atoms were prepared by sampling three independent temporal trajectories, and the glass structures were found to be substantially different from those obtained for models in which smaller numbers of atoms or more rapid quench rates were employed. In particular, the overall network structure is based on Se{sub n} chains that are cross-linked by Ge(Se{sub 4}){sub 1/2} tetrahedra, where the latter are predominantly corner as opposed to edge sharing. The occurrence of a substantial proportion of Ge–Se–Se connections does not support a model in which the material is phase separated into Se-rich and GeSe{sub 2}-rich domains. The appearance of a first-sharp diffraction peak in the Bhatia-Thornton concentration-concentration partial structure factor does, however, indicate a non-uniform distribution of the Ge-centered structural motifs on an intermediate length scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Thermal stability and relaxation mechanisms in compressively strained Ge{sub 0.94}Sn{sub 0.06} thin films grown by molecular beam epitaxy

Strained Ge{sub 1-x}Sn{sub x} thin films have recently attracted a lot of attention as promising high mobility or light emitting materials for future micro- and optoelectronic devices. While they can be grown nowadays with high crystal quality, the mechanism by which strain energy is relieved upon thermal treatments remains speculative. To this end, we investigated the evolution (and the interplay) of composition, strain, and morphology of strained Ge{sub 0.94}Sn{sub 0.06} films with temperature. We observed a diffusion-driven formation of Sn-enriched islands (and their self-organization) as well as surface depressions (pits), resulting in phase separation and (local) reduction in strain energy, respectively. Remarkably, these compositional and morphological instabilities were found to be the dominating mechanisms to relieve energy, implying that the relaxation via misfit generation and propagation is not intrinsic to compressively strained Ge{sub 0.94}Sn{sub 0.06} films grown by molecular beam epitaxy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Thermal conductivity of GaAs/Ge nanostructures

Superlattices are of great interest as platform materials for thermoelectric technology that are capable of directly converting low-grade heat energy into useful electrical power. In this paper, the thermal conductivities of GaAs/Ge superlattice nanostructures were investigated systematically in relation to their morphologies and interfaces. Thermal conductivities were measured using ultrafast time-domain thermoreflectance and were found to decrease with increasing interface densities, consistent with past understanding of microscopic phonon transport in the particle regime. The lowest thermal conductivities were observed in (GaAs) 0.77 (Ge 2 ) 0.23 alloys, and transmission electron microscopy study reveals phase separation in the alloys. These alloys can be interpreted as fine nanostructures, with length scales comparable to the periods of very thin superlattices. Electrical transport measurements along the film plane direction showed no significant reduction in electrical properties attributable to the interfaces between GaAs and Ge. Finally, our experimental findings help gain fundamental insight into nanoscale thermal transport in superlattices and are also useful for future improvement of thermoelectric performance using nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Analysis of InGaN nanodots grown by droplet heteroepitaxy using grazing incidence small-angle X-ray scattering and electron microscopy

We present a detailed structural investigation of self-assembled indium gallium nitride nanodots grown on c-plane aluminum nitride templates by the droplet heteroepitaxy technique in a plasma-assisted molecular beam epitaxy reactor. Various growth parameters, including the total coverage of the metal species, relative and total metal effusion fluxes, and nitridation temperature were investigated. Analyses of in situ reflection high-energy electron diffraction patterns and comparison with simulations showed that the resulting crystal structure was a mixture of wurtzite and twinned zinc blende phases, with the zinc blende phase increasingly dominant for lower metal coverages and lower nitridation temperatures, and the wurtzite phase increasingly dominant for higher nitridation temperature. Studies by field emission scanning electron microscopy and atomic force microscopy revealed that the nanodots exhibit trimodal size distributions, with the dot morphologies of the intermediate size mode often resembling aggregations of distinct clusters. Nanodots grown at higher nitridation temperatures had larger inter-dot spacings, with hexagonal in-plane ordering observable at a sufficiently high temperature. Using grazing incidence small angle X-ray scattering, we determined the nanodots to be approximately truncated cone shaped, and extracted the mean radius, height, and inter-dot distance for each distribution. Microstructural investigations of the nanodots by cross-sectional transmission electron microscopy indicated that the majority of the dots were formed in dislocation-free regions, and confirmed that the intermediate size dots were approximately truncated cone shaped and consisted of both zinc blende and wurtzite regions. Mapping of the elemental distributions by energy dispersive X-ray spectroscopy in scanning transmission electron microscopy mode indicated highly nonuniform indium distributions within both small and intermediate size dots which are potentially indicative of indium clustering and kinetically controlled nanoscale phase separation rather than the spinodal decomposition associated with bulk diffusion. In conclusion, the observed enrichment in indium concentration towards the tops of the nanodot layers could be ascribed to the compositional pulling effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

High-efficiency inverted metamorphic 1.7/1.1 eV GaInAsP/GaInAs dual-junction solar cells

Photovoltaic conversion efficiencies of 32.6 +/- 1.4% under the AM1.5 G173 global spectrum, and 35.5 +/- 1.2% at 38-suns concentration under the direct spectrum, are demonstrated for a monolithic, dual-junction 1.7/1.1 eV solar cell. The tandem cell consists of a 1.7 eV GaInAsP top-junction grown lattice-matched to a GaAs substrate, followed by a metamorphic 1.1 eV GaInAs junction grown on a transparent, compositionally graded metamorphic AlGaInAs buffer. This bandgap combination is much closer to the dual-junction optimum and offers headroom for absolute 3% improvement in efficiency, in comparison to the incumbent lattice-matched GaInP/GaAs (~1.86/1.41 eV) solar cells. The challenge of growing a high-quality 1.7 eV GaInAsP solar cell is the propensity for phase separation in the GaInAsP alloy. The challenge of lattice-mismatched GaInAs solar cell growth is that it requires minimizing the residual dislocation density during the growth of a transparent compositionally graded buffer to enable efficient metamorphic tandem cell integration. Transmission electron microscopy reveals relatively weak composition fluctuation present in the 1.7 eV GaInAsP alloy, attained through growth control. The threading dislocation density of the GaInAs junction is ~1 x 10^6 cm-2, as determined from cathodoluminescence measurements, highlighting the quality of the graded buffer. These material advances have enabled the performance of both junctions to reach over 80% of their Shockley-Queisser limiting efficiencies, with both the subcells demonstrating a bandgap-voltage offset, WOC (=Eg/q-VOC), of ~0.39 V.

14 SOLAR ENERGY↗
DOE OSTI2018

Evolution of ferromagnetism in two-dimensional electron gas of LaTiO 3 /SrTiO 3

Understanding, creating, and manipulating spin polarization of two-dimensional electron gases at complex oxide interfaces present an experimental challenge. For example, despite almost a decade long research effort, the microscopic origin of ferromagnetism in LaAlO 3 /SrTiO 3 heterojunctions is still an open question. Here, by using a prototypical two-dimensional electron gas (2DEG) which emerges at the interface between band insulator SrTiO 3 and antiferromagnetic Mott insulator LaTiO 3 , the experiment reveals the evidence for magnetic phase separation in a hole-doped $\textbf{Ti}$ $d^1$ $\textbf{t}_{2_g}$ system, resulting in spin-polarized 2DEG. The details of electronic and magnetic properties of the 2DEG were investigated by temperature-dependent d.c. transport, angle-dependent X-ray photoemission spectroscopy, and temperature-dependent magnetoresistance. The observation of clear hysteresis in magnetotransport at low magnetic fields implies spin-polarization from magnetic islands in the hole rich LaTiO 3 near the interface. We present these findings to emphasize the role of magnetic instabilities in doped Mott insulators, thus providing another path for designing all-oxide structures relevant to spintronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Luminescence of III-IV-V thin film alloys grown by metalorganic chemical vapor deposition

III-IV-V heterovalent alloys have the potential to satisfy the need for infrared bandgap materials that also have lattice constants near GaAs. In this work, significant room temperature photoluminescence is reported for the first time in high quality III-IV-V alloys grown by metalorganic chemical vapor deposition. Pronounced phase separation, a characteristic suspected to quench luminescence in the alloys in the past, was successfully inhibited by a modified growth process. Small scale composition fluctuations were observed in the alloys; higher growth temperatures resulted in fluctuations with a striated morphology, while lower growth temperatures resulted in fluctuations with a speckled morphology. The composition fluctuations cause bandgap narrowing in the alloys—measurements of various compositions of (GaAs) 1-x (Ge2) x alloys reveal a maximum energy transition of 0.8 eV under 20% Ge composition rather than a continuously increasing transition with the decreasing Ge composition. Additionally, luminescence intensity decreased with the decreasing Ge composition. The alloys appear to act as a Ge-like solid penetrating a GaAs lattice, resulting in optical properties similar to those of Ge but with a direct-bandgap nature; a decrease in the Ge composition corresponds to a reduction in the light-emitting Ge-like material within the lattice. An energy transition larger than 0.8 eV was obtained through the addition of silicon to the (GaAs) 1-x (Ge2) x alloy. The results indicate significant promise for III-IV-V alloys as potential materials for small bandgap optical devices with previously unachievable lattice constants.

36 MATERIALS SCIENCE↗