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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Ultra-thin g-C{sub 3}N{sub 4} nanosheets wrapped silicon nanowire array for improved chemical stability and enhanced photoresponse

Highlights: • g-C{sub 3}N{sub 4}, as an oxygen free and metal free protective material for Si, was proposed. • g-C{sub 3}N{sub 4} nanosheets wrapped Si nanowire array was synthesized. • SiNW/g-C{sub 3}N{sub 4} exhibited enhancement of photoelectrochemical stability and photocurrent. - Abstract: In order to inhibit the oxidation of Si materials in aqueous solution, Si nanowire array was wrapped by ultra-thin g-C{sub 3}N{sub 4} nanosheets via an electrophoresis process. Scanning electron microscopy and transmission electron microscopy images showed that g-C{sub 3}N{sub 4} nanosheets were evenly distributed on the surface of Si nanowire array. X-ray diffraction patterns indicated that Si nanowire array/g-C{sub 3}N{sub 4} nanosheets were composed of Si (4 0 0 crystal plane) and g-C{sub 3}N{sub 4} (0 0 2 and 1 0 0 crystal planes). The cyclic voltammetry curves revealed that the corrosion of Si nanowire array was restrained under the protection of g-C{sub 3}N{sub 4} nanosheets. Furthermore, the photocurrent density of Si nanowire array/g-C{sub 3}N{sub 4} nanosheets increased by nearly 3 times compared to that of bare Si nanowire array due to the effective charge separation caused by the built-in electric field at the interface. This work will facilitate the applications of Si materials in aqueous solution, such as solar energy harvest and photocatalytic pollution control.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Studying Near-Surface Layers of Germanium Implanted with Cobalt Ions

Results of an investigation of the surface of germanium nanostructured by means of ion implantation are presented. Single-crystalline germanium (c-Ge) plates were irradiated by 40-keV cobalt Co{sup +} ions in a dose range of (2–8) × 10{sup 16} ion/cm{sup 2}. Evolution of the germanium surface morphology with increasing ion dose was studied by method of scanning electron microscopy. It is established that an increase in the ion implantation dose is accompanied by gradual formation of a surface layer consisting of spherical particles with diameters of ~150 nm. Analysis of the X-ray diffraction patterns of samples was indicative of the appearance of nanosized cobalt germanide (CoGe) particles in the ion-implanted surface layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Screen printed silver top electrode for efficient inverted organic solar cells

Highlights: • Screen printing of silver pattern. • X-ray diffraction pattern confirmed the face centered cubic structure of silver. • Uniform surface morphology of silver pattern with sheet resistance of 0.06 Ω/sq. • The power conversion efficiency of fabricated solar cell is found to be 2.58%. - Abstract: The present work is mainly focused on replacement of the vacuum process for top electrode fabrication in organic solar cells. Silver top electrode deposited through solution based screen printing on pre-deposited polymeric thin film. The solution based printing technology provides uniform top electrode without damaging the underlying organic layers. The surface crystallinity and surface morphology of silver top electrode are examined through X-ray diffraction, field-emission scanning electron microscope and atomic force microscope. The purity of silver is examined through X-ray energy dispersive spectroscopy. The top electrode exhibits face centered cubic structure with homogeneous morphology. The sheet resistance of top electrode is found to be 0.06 Ω/sq and an average pattern thickness of ∼15 μm. The power conversion efficiency is 2.58%. Our work demonstrates that the solution based screen printing is a significant role in the replacement of vacuum process for the fabrication of top electrode in organic solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Variation in superconducting transition temperature due to tetragonal domains in two-dimensionally doped SrTiO 3

Strontium titanate is a low-temperature, non-Bardeen-Cooper-Schrieffer superconductor that superconducts to carrier concentrations lower than in any other system and exhibits avoided ferroelectricity at low temperatures. Neither the mechanism of superconductivity in strontium titanate nor the importance of the structure and dielectric properties for the superconductivity are well understood. We studied the effects of twin structure on superconductivity in a 5.5-nm-thick layer of niobium-doped SrTiO3 embedded in undoped SrTiO3. We used a scanning superconducting quantum interference device susceptometer to image the local diamagnetic response of the sample as a function of temperature. We observed regions that exhibited a superconducting transition temperature T-c greater than or similar to 10% higher than the temperature at which the sample was fully superconducting. The pattern of these regions varied spatially in a manner characteristic of structural twin domains. Some regions are too wide to originate on twin boundaries; therefore, we propose that the orientation of the tetragonal unit cell with respect to the doped plane affects T-c. Our results suggest that the anisotropic dielectric properties of SrTiO3 are important for its superconductivity and need to be considered in any theory of the mechanism of the superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Mapping causal patterns in crystalline solids

The evolution of the atomic structures of the combinatorial library of Sm-substituted thin film BiFeO 3 along the phase transition boundary from the ferroelectric rhombohedral phase to the non-ferroelectric orthorhombic phase is explored using scanning transmission electron microscopy. Localized properties, including polarization, lattice parameter, and chemical composition, are parameterized from atomic-scale imaging, and their causal relationships are reconstructed using a linear non-Gaussian acyclic model. This approach is further extended to explore the spatial variability of the causal coupling using the sliding window transform method, which revealed that new causal relationships emerged at both the expected locations, such as domain walls and interfaces, and at additional regions forming clusters in the vicinity of the walls or spatially distributed features. While the exact physical origins of these relationships are unclear, they likely represent nanophase-separated regions in the morphotropic phase boundaries. Overall, we posit that an in-depth understanding of complex disordered materials away from thermodynamic equilibrium necessitates understanding not only the generative processes that can lead to observed microscopic states but also the causal links between multiple interacting subsystems.

Causal inference↗
DOE OSTI2019

Intrahepatic Recurrence Patterns Predict Survival After Resection of Colorectal Liver Metastases

Background: After resection of colorectal liver metastases (CLM), up to 40% of patients will develop intrahepatic recurrence. This study aims to identify patterns of intrahepatic recurrence and their impact on survival after preoperative chemotherapy and CLM resection. Methods: A retrospective review was performed of patients developing intrahepatic recurrence after CLM resection following preoperative chemotherapy. Prechemotherapy, preoperative, and postoperative computed tomography scans were reviewed. Recurrences were classified as in situ, de novo, or both in situ and de novo. Median follow-up was 42 months (range 2–144 months). Results: Among 223 patients meeting study criteria, intrahepatic recurrence was identified a median of 9 months after hepatectomy. Isolated de novo or in situ recurrence developed in 105 (47%) and 86 (39%) patients, respectively. Thirty-two patients (14%) developed both in situ and de novo recurrence, which was associated with significantly lower median overall survival of 33 months compared with 49 and 45 months with isolated in situ or de novo recurrence, respectively (p = 0.048). Among 118 patients (53%) who developed in situ recurrence as a component of disease relapse, recurrences resulted from disappearing or missed liver metastases in 47 patients (40%). Conclusions: An intrahepatic recurrence pattern of both in situ and de novo metastases after CLM resection following preoperative chemotherapy predicts significantly worse overall survival compared with isolated in situ or de novo recurrence.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Imaging hole-density inhomogeneity in arsenic-doped CdTe thin films by scanning capacitance microscopy

We report nanometer-scale hole-density imaging in As-doped CdTe films by scanning capacitance microscopy (SCM). The hole-density profiling is validated by contrasting a CdTe cross-section sample made by molecular-beam epitaxy with systematically increased As doping in a staircase pattern over the range of 10 15 -10 18 /cm 3 within a single film. In polycrystalline films, the carrier distribution is significantly nonuniform, with inhomogeneity ranging from several hundred nm to several um and hole density varying by one order of magnitude (low 10^16 to low 10 17 /cm 3 ). This nonuniformity is distributed randomly, independent of the grain structure and grain boundaries (GBs). Kelvin probe force microscopy (KPFM) maps the surface potential and is correlated to cathodoluminescence (CL) and SCM by imaging over identical areas. Higher potential and lower CL intensity are found on GBs but not by SCM contrast; this indicates positive GB charging and recombination, but not GB-specific hole-density changes. The overall KPFM potential image is in rough agreement with the SCM carrier distribution and indicates band-edge potential fluctuations. Nonuniform carrier concentration, potential fluctuations, and defect recombination can all cause voltage and performance loss in As-doped CdTe solar technology.

14 SOLAR ENERGY↗
DOE OSTI2014

SU-E-T-464: On the Equivalence of the Quality Correction Factor for Pencil Beam Scanning Proton Therapy

Purpose: In current practice, most proton therapy centers apply IAEA TRS-398 reference dosimetry protocol. Quality correction factors (kQ) take into account in the dose determination process the differences in beam qualities used for calibration unit and for treatment unit. These quality correction factors are valid for specific reference conditions. TRS-398 reference conditions should be achievable in both scattered proton beams (i.e. DS) and scanned proton beams (i.e. PBS). However, it is not a priori clear if TRS-398 kQ data, which are based on Monte Carlo (MC) calculations in scattered beams, can be used for scanned beams. Using TOPAS-Geant4 MC simulations, the study aims to determine whether broad beam quality correction factors calculated in TRS-398 can be directly applied to PBS delivery modality. Methods: As reference conditions, we consider a 10×10×10 cm{sup 3} homogeneous dose distribution delivered by PBS system in a water phantom (32/10 cm range/modulation) and an air cavity placed at the center of the spread-out-Bragg-peak. In order to isolate beam differences, a hypothetical broad beam is simulated. This hypothetical beam reproduces exactly the same range modulation, and uses the same energy layers than the PBS field. Ion chamber responses are computed for the PBS and hypothetical beams and then compared. Results: For an air cavity of 2×2×0.2 cm{sup 3}, the ratio of ion chamber responses for the PBS and hypothetical beam qualities is 0.9991 ± 0.0016. Conclusion: Quality correction factors are insensitive to the delivery pattern of the beam (broad beam or PBS), as long as similar dose distributions are achieved. This investigation, for an air cavity, suggests that broad beam quality correction factors published in TRS-398 can be applied for scanned beams. J. Sorriaux is financially supported by a public-private partnership involving the company Ion Beam Applications (IBA)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Reuniting crystallography with real space: Ab initio structure elucidation with 4D-STEM

Structure elucidation via single-crystal methods has historically lacked experimental access to real-space information, instead relying exclusively on diffraction-space measurements of Bragg reflections. Here we exploit the dual-space imaging power of 4D scanning transmission electron microscopy to meaningfully integrate real-space information into the crystallographic workflow. We show that virtual apertures assembled by segmentation of high-angle annular dark-field images enable i) pixel-by-pixel separation of coherent Bragg signal from clusters of closely spaced nanocrystals and ii) selective extraction of integrated intensities from thinner subregions of individual specimens, facilitating retroactive tuning of multiple scattering artifacts. This strategy empowers us to simply pick and choose whichever nanoscale regions of interest generate the highest-quality diffraction patterns, allowing us to solve several independent structures of the metal-organic framework UiO-66 from specimens whose agglomerated morphology proved intractable for conventional microcrystal electron diffraction. Our method is compatible with both rotational and serial approaches to data processing, ultimately divulging the first scanning nanobeam electron diffraction structures determined by direct methods at subangstrom resolution.

Saha, Ambarneil↗
DOE OSTI2018

Effect of Cr{sup 3+} Ions Substitution on Structural and Magnetic Properties of Co Ferrite Nanoparticles

A series of polycrystalline nanoferrite having the chemical formula CoCr{sub x}Fe{sub 2−x}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6, 0.8, and 1.0) were synthesized by sol-gel autocombustion method. X-ray diffraction (XRD) analysis was used to investigate the structural parameters and also to check the phase purity of all prepared samples. The analysis of XRD patterns revealed the formation of single-phase cubic spinel structure for all samples. The average particle size of the synthesized ferrites was identified by X-ray diffraction and scanning electron microscopy technique. The magnetic properties of Co-Cr nanoferrites were measured using a hysteresis loop tracer at room temperature and magnetic field of 5 KOe. Saturation magnetization (M{sub s}) and coercivity (H{sub c}) decrease with the increasing Cr{sup 3+} ions concentration in the Co-Cr ferrite, indicating that lesser magnetic Cr{sup 3+} ions substitute Fe{sup 3+} ions in the octahedral sublattice of the ferrite. Such materials are useful to reduce the energy loss in AC electrical appliances.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Modulation of Superconducting Transition Temperature in LaAlO{sub 3}/SrTiO{sub 3} by SrTiO{sub 3} Structural Domains

The tetragonal domain structure in SrTiO{sub 3} (STO) is known to modulate the normal-state carrier density in LaAlO{sub 3}/SrTiO{sub 3} (LAO/STO) heterostructures, among other electronic properties, but the effect of STO domains on the superconductivity in LAO/STO has not been fully explored. Using a scanning SQUID susceptometer microscope to map the superconducting response as a function of temperature in LAO/STO, we find that the superconducting transition temperature is spatially inhomogeneous and modulated in a pattern that is characteristic of structural domains in the STO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Multi-modal characterization of the B2 phase in the Ta-Re binary system

The energy and transportation industries demand materials that retain their mechanical property at high temperatures. Refractory complex concentrated alloys (RCCAs) with a BCC + B2 microstructure offer a potential solution, where maintaining the high temperature mechanical properties can be achieved by precipitation strengthening. This depends on the B2 phase in RCCAs being thermodynamically stable with a high solvus temperature. Recently, we predicted the high temperature stability of the B2 structure in the Ta-Re binary system, using density functional theory. Here, in this study, we provide experimental evidence for the existence of this phase for the first time, using a Ta 65 Re 35 alloy. Despite Ta-Re binary phase diagrams predicting a single-phase BCC microstructure for Ta 65 Re 35 , we show that a high Z nanoscale secondary phase appears after heat treatment at 1550 °C and 1100 °C. Scanning transmission electron microscopy (STEM) revealed that this phase has a cubic structure and is equiatomic TaRe though B2 superlattice reflections were absent in fast Fourier transforms (FFT) and diffraction patterns (DPs). DP simulations indicate that the B2 TaRe superlattice reflections are up to two orders of magnitude weaker than their fundamental reflections, making their detection challenging via electron microscopy. Neutron diffraction confirmed the second phase had a B2 structure. This study identified a previously unobserved high temperature stable B2 phase in the Ta-Re system, enabling the development of new high temperature BCC + B2 RCCAs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Investigation of phase evolution of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) by in situ synchrotron high-temperature powder diffraction

In situ synchrotron X-ray powder diffraction was used to study the high-temperature phase evolution of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) precursors prepared via solid-state and sol–gel methods. After the precursors are heated to 1225 °C, the CCTO phase is the main phase observed in the calcined powder, with the presence of some minor impurities. Comparing the two precursors, we found that the onset temperature for the CCTO phase formation is 800 °C in the sol–gel precursor, lower than that in the solid-state precursor (875 °C). Intermediate phases were only observed in the sol–gel precursor. Both precursors are able to be calcined to sub-micrometric sized powders. Based on the synchrotron data along with differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA), the phase formation sequence and mechanism during calcination are proposed in this study. -- Graphical abstract: The in situ synchrotron HT-XRD patterns of CCTO sol–gel and solid-state precursor. Highlights: • Phase formation sequence/mechanism in two CCTO precursors has been established. • Formation temperature of CCTO via sol–gel method is lower than solid-state method. • Intermediate phases are only observed in the sol–gel precursor. • Both precursors are able to be calcined into sub-micrometric sized powders.

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

Correlative analysis of structure and chemistry of Li x FePO 4 platelets using 4D-STEM and X-ray ptychography

Lithium iron phosphate (Li x FePO 4 ), a cathode material used in rechargeable Li-ion batteries, phase separates upon de/lithiation under equilibrium. The interfacial structure and chemistry within these cathode materials affects Li-ion transport, and therefore battery performance. Here, correlative imaging of Li x FePO 4 was performed using four-dimensional scanning transmission electron microscopy (4D-STEM), scanning transmission X-ray microscopy (STXM), and X-ray ptychography in order to analyze the local structure and chemistry of the same particle set. Over 50,000 diffraction patterns from 10 particles provided measurements of both structure and chemistry at a nanoscale spatial resolution (16.6–49.5 nm) over wide (several micron) fields-of-view with statistical robustness. Li x FePO 4 particles at varying stages of delithiation were measured to examine the evolution of structure and chemistry as a function of delithiation. In lithiated and delithiated particles, local variations were observed in the degree of lithiation even while local lattice structures remained comparatively constant, and calculation of linear coefficients of chemical expansion suggest pinning of the lattice structures in these populations. Partially delithiated particles displayed broadly core–shell-like structures, however, with highly variable behavior both locally and per individual particle that exhibited distinctive intermediate regions at the interface between phases, and pockets within the lithiated core that correspond to FePO 4 in structure and chemistry. The results provide insight into the Li x FePO 4 system, subtleties in the scope and applicability of Vegard’s law (linear lattice parameter-composition behavior) under local versus global measurements, and demonstrate a powerful new combination of experimental and analytical modalities for bridging the crucial gap between local and statistical characterization.

25 ENERGY STORAGE↗
DOE OSTI2025

Synthesis and characterization of electron beam irradiation-induced damage in polycrystalline metal thin films

High-energy physics research, industrial sterilizing, and material processing depend extensively on electron beam accelerators. Exit windows are crucial components of such electron accelerator systems, maintaining vacuum integrity inside the machine while providing mechanical strength, thermal stability, and radiation resistance at the beam-target interface. In this study, thin metallic films of Ni, Ti, Cr, and V were explored for use in electron beam exit windows, and their properties were compared with the properties of their bulk counterparts. Simulation results of metal foils predicted Ti to exhibit less beam power dissipation compared to Ni. However, Ni possesses superior mechanical and structural properties compared to Ti. The performance of these films under electron beam irradiation was examined by depositing thin layers of these films on silicon and metallic substrates using magnetron sputtering and exposing them to e-beam irradiation in a controlled setup. The deposited films were subjected to a dose of approximately 66 kGy at a beam energy of 10 MeV and characterized prior to and postexposure to the beam using field emission scanning electron microscopy, atomic force microscopy, x-ray diffraction (XRD), and nanoindentation. Particular emphasis was given to characteristics like the grain structure, surface morphology, dislocation density, and hardness. XRD patterns revealed irradiation-induced changes in peak intensities, while the crystallinity remained largely unchanged. Nanoindentation results showed that the pristine and irradiated Ti and Ni films were twice as hard when compared to bulk Ti and Ni samples, regardless of the substrate type used (Si or bulk Ti, or Ni). These results emphasize the superior mechanical properties of thin metal films compared to their bulk counterparts. In conclusion, this study advances the optimization of thin film materials for robust and efficient e-beam applications, ensuring improved durability and operational reliability.

AFM↗
DOE OSTI2016

SU-F-T-513: Dosimetric Validation of Spatially Fractionated Radiotherapy Using Gel Dosimetry

Purpose: Spatially fractionated radiation therapy, also known as GRID therapy, is used to treat large solid tumors by irradiating the target to a single dose of 10–20Gy through spatially distributed beamlets. We have investigated the use of a 3D gel for dosimetric characterization of GRID therapy. Methods: GRID therapy is an external beam analog of volumetric brachytherapy, whereby we produce a distribution of hot and cold dose columns inside the tumor volume. Such distribution can be produced with a block or by using a checker-like pattern with MLC. We have studied both types of GRID delivery. A cube shaped acrylic phantom was filled with polymer gel and served as a 3D dosimeter. The phantom was scanned and the CT images were used to produce two plans in Pinnacle, one with the grid block and one with the MLC defined grid. A 6MV beam was used for the plan with a prescription of 1500cGy at dmax. The irradiated phantom was scanned in a 3T MRI scanner. Results: 3D dose maps were derived from the MR scans of the gel dosimeter and were found to be in good agreement with the predicted dose distribution from the RTP system. Gamma analysis showed a passing rate of 93% for 5% dose and 2mm DTA scoring criteria. Both relative and absolute dose profiles are in good agreement, except in the peripheral beamlets where the gel measured slightly higher dose, possibly because of the changing head scatter conditions that the RTP is not fully accounting for. Our results have also been benchmarked against ionization chamber measurements. Conclusion: We have investigated the use of a polymer gel for the 3D dosimetric characterization and evaluation of GRID therapy. Our results demonstrated that the planning system can predict fairly accurately the dose distribution for GRID type therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Radiation Damage Studies of Materials and Electronic Devices Using Hadrons

We have irradiated NdFeB permanent magnet samples from different manufacturers and with differing values of coercivity and remanence using stepped doses of 1 MeV equivalent neutrons up to a fluence of 0:64 1015n=cm2 to evaluate effects on magnetization and B field distributions. The samples with high coercivity, irradiated in open circuit configurations, showed no or minimal effects when compared with unirradiated samples, whereas the lower coercivity magnets suffered significant losses of magnetization and changes in the shapes of their field patterns. One such magnet underwent a fractional magnetization loss of 13.1% after a fluence of 0:59 1015 n=cm2. This demagnetization was not uniform. With increasing fluence, B field scans along the centerlines of the pole faces revealed that the normal component of B decreased more near the midpoint of the scan than near the ends. In addition, a fit to the curve of overall magnetization loss with fluence showed a significant deviation from linearity. The results are discussed in light of other measurements and theory. The high coercivity materials appear suitable for use in accelerator applications subject to irradiation by fast neutrons such as dipoles where the internal demagnetizing field is comparable to or less than that of the open circuit samples tested in this study.

Pellett, David↗
DOE OSTI2018

Modulation of superconducting transition temperature in LaAlO3/SrTiO3 by SrTiO3 structural domains

The tetragonal domain structure in SrTiO3 (STO) is known to modulate the normal-state carrier density in LaAlO3/SrTiO3 (LAO/STO) heterostructures, among other electronic properties, but the effect of STO domains on the superconductivity in LAO/STO has not been fully explored. Using a scanning SQUID susceptometer microscope to map the superconducting response as a function of temperature in LAO/STO, we find that the superconducting transition temperature is spatially inhomogeneous and modulated in a pattern that is characteristic of structural domains in the STO.

superconductivity,complex oxide heterostructures,↗