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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 73 records · Page 4

Rotational self-alignment of graphene seeds for nanoribbon synthesis on Ge(001) via chemical vapor deposition

The chemical vapor deposition of CH 4 on Ge(001) results in the anisotropic synthesis of graphene nanoribbons that are aligned to Ge$\langle$110$\rangle$ and have faceted armchair edges, sub-10 nm widths, and lengths greater than 100 nm. The utilization of small graphene seeds to initiate nanoribbon synthesis provides control over the nanoribbon placement and orientation. However, in order to exclusively grow nanoribbons and suppress the concomitant growth of lower aspect ratio crystals, it is imperative to control the crystallographic orientation of the seeds with respect to the Ge lattice. Here, we demonstrate that when seeds are less than 18 nm in diameter, they are able to rotate upon annealing at 910 °C prior to nanoribbon synthesis. The effect of this rotation on the resulting nanoribbons’ orientation is characterized as a function of the diameter and initial crystallographic orientation of the seeds. The seeds preferentially rotate to an orientation in which an armchair direction of their lattice is parallel to Ge$\langle$110$\rangle$—subsequently maximizing the anisotropy in growth kinetics. By exploiting this seed rotation phenomenon, we demonstrate the fabrication of seamless nanoribbon meshes and gain understanding that will affect future efforts to create arrays of unidirectionally aligned nanoribbons.

36 MATERIALS SCIENCE↗

Identifying amyloid-related diseases by mapping mutations in low-complexity protein domains to pathologies

Proteins including FUS, hnRNPA2, and TDP-43 reversibly aggregate into amyloid-like fibrils through interactions of their low-complexity domains (LCDs). Mutations in LCDs can promote irreversible amyloid aggregation and disease. We introduce a computational approach to identify mutations in LCDs of disease-associated proteins predicted to increase propensity for amyloid aggregation. We identify several disease-related mutations in the intermediate filament protein keratin-8 (KRT8). Atomic structures of wild-type and mutant KRT8 segments confirm the transition to a pleated strand capable of amyloid formation. Biochemical analysis reveals KRT8 forms amyloid aggregates, and the identified mutations promote aggregation. Aggregated KRT8 is found in Mallory–Denk bodies, observed in hepatocytes of livers with alcoholic steatohepatitis (ASH). We demonstrate that ethanol promotes KRT8 aggregation, and KRT8 amyloids co-crystallize with alcohol. Lastly, KRT8 aggregation can be seeded by liver extract from people with ASH, consistent with the amyloid nature of KRT8 aggregates and the classification of ASH as an amyloid-related condition.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation of sucrose crystallization kinetics using confocal microscopy: Determining differences in sucrose crystallization kinetics between single and polycrystal studies

Sucrose solution crystal growth kinetics are dependent on temperature, concentration, and impurities. A double polarized confocal microscopy system was used to obtain photographs with high contrast between growing crystals and the background for color background removal image processing. Seeded solutions of 72 wt% sucrose at 27, 35, 45, and 55°C were compared for single and polycrystals. Polycrystal analysis was determined to offer more rapid image processing and to be more applicable to systems in real operating conditions, while single-crystal analysis was determined to give more comprehensive descriptions of individual crystal behavior at the cost of slower processing.

36 MATERIALS SCIENCE↗

Dynamic pulse-to-pulse thermal load effects in pulse-train-mode self-seeded X-ray free-electron laser

Thermal load has been a haunting factor that undermines the brightness and coherence of the self-seeded X-ray free-electron laser. Additionally, different from uniformly pulsed mode, in pulse train mode a thermal quasi-steady state of the crystal monochromator may not be reached. This leads to a dynamic thermal distortion of the spectral transmission curves and seed quality degradation. In this paper, the pulse-to-pulse thermal load effects on the spectral transmission curves and seed quality are shown, and some instructive information for the tuning process is provided.

47 OTHER INSTRUMENTATION↗

Visualization of Thermal and Strain Dynamics in X-ray Optics by Time-Resolved Rocking Curve Imaging

The absorption of intense X-ray pulses from free-electron lasers by X-ray crystal optics triggers rapid thermal and mechanical responses, including lattice compression, expan- sion, and strain-wave propagation, which dynamically modify diffraction conditions and wavefront properties. These effects pose significant challenges for next-generation high- repetition-rate X-ray sources, particularly for crystal monochromators used in XFEL beam- lines and self-seeding. Here, we demonstrate time-resolved rocking curve imaging (TrRCI) of X-ray Bragg optics with high spatial resolution (6.4 μm) and sub-1-μrad angular resolu- tion, enabling direct visualization of lattice dynamics from nanoseconds to microseconds. By combining a high-flux beamline at SPring-8, a scintillator-coupled sCMOS detector, and a synchronized femtosecond laser system, we capture lattice dynamics induced by tran- sient laser heating with a strain sensitivity on the order of 10−6 . Our results reveal transient lattice deformation and the propagation of laser-induced strain waves over millimeter-scale distances. This approach provides experimental benchmarks for understanding heat-load effects in high-repetition-rate X-ray optics.

Source record↗

Recycling the Energy of Indoor Light: Highly Efficient Organic Photovoltaics via a Ternary Strategy

A ternary approach in organic photovoltaics (OPV) is simple and reliable to effectively tune the optical, electrical and morphological properties of the photoactive layer for high efficiency as well as long-term stability under 1 sun. However, there have been few papers reporting spectra and weak illumination compared to outdoor light. In this study, by using two compatible 16 structures, we demonstrate a simultaneous modulation of light absorption and molecular donor polymers (PM7 and PM7 D1) with slightly-different band gaps and similar chemical packing under ambient conditions, which resulted in efficient indoor OPVs exhibiting power conversion efficiency (PCE) over 20% under 1000 lux of warm white light-emitting diode (2900 K). From morphological analysis, we infer that PM7 serves to seed nucleation of PM7 D1 in the ternary blend, templating its crystallization and alignment along the PM7 backbone. Such templating effect leads to increased domain spacing and relative degree of crystallinity (rDoC) compared to those of each binary system. We further show that higher rDoC helps suppress both bimolecular and trap-assisted recombination of photogenerated charges in the ternary devices. As a result, the complementary absorption and synergistic molecular assembly of the two donor polymers enhance the short-circuit current density as to increase the average PCEs from 9.6 to 10.3% under 1 sun and from 18.7 to 20.0% under 1000 lux. We envision that our strategy of incorporating both a planar and a flexible donor polymer with similar chemical structures can be generally applicable to attain a high performance ternary OPV under both 1 sun and indoor light.

14 SOLAR ENERGY↗

SMART Perovskite Growth: Enabling a Larger Range of Process Conditions

Cost-effective, high-throughput industrial applications of metal-halide perovskites require a highly tolerant method (i.e., wide process window) that produces high-quality materials with a short annealing time. Here, we introduce a Seed Modulation for ARTificially controlled nucleation (SMART) process that enables rapid fabrication of high-quality perovskite films under a wide set of initial input parameters. Additionally, we characterized the thin-film evolution from the perspective of crystallinity, surface potential, diffusivity, surface carrier dynamics, and interfacial recombination. We find that surface and subsurface defects primarily determine the performance of materials and devices. By modulating the seeds for perovskite nucleation, we were able to improve the overall crystallization. We achieved a >20% power conversion efficiency using only a 5 min annealing step, and we found that the annealing window is widened such that differing initial conditions achieve similar quality. Furthermore, we demonstrated reproducibility and performance improvement in larger-area perovskite cells by incorporating the SMART process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Material assembly from collective action of shape-changing polymers

Some animals form transient, responsive and solid-like ensembles through dynamic structural interactions. These ensembles demonstrate emergent responses such as spontaneous self-assembly, which are difficult to achieve in synthetic soft matter. In this work, we use shape-morphing units comprising responsive polymers to create solids that self-assemble, modulate their volume and disassemble on demand. The ensemble is composed of a responsive hydrogel, liquid crystal elastomer or semicrystalline polymer ribbons that reversibly bend or twist. The dispersions of these ribbons mechanically interlock, inducing reversible aggregation. The aggregated liquid crystal elastomer ribbons have a 12-fold increase in the yield stress compared with cooled dispersion and contract by 34% on heating. Ribbon type, concentration and shape dictate the aggregation and govern the global mechanical properties of the solid that forms. Coating liquid crystal elastomer ribbons with a liquid metal begets photoresponsive and electrically conductive aggregates, whereas seeding cells on hydrogel ribbons enables self-assembling three-dimensional scaffolds, providing a versatile platform for the design of dynamic materials.

36 MATERIALS SCIENCE↗

Seed‐Assisted Growth for Scalable and Efficient Perovskite Solar Modules

Perovskite solar modules (PSMs) have shown remarkable photovoltaic potentials, but they still suffer from large power conversion efficiency (PCE) loss on scale‐up and instability due to inferior uniformity and crystallization over large areas. Herein, the scalable production of efficient and stable PSMs using a suite of all‐scalable fabrication methods featuring a two‐step blade/dip‐coating approach to deposit the perovskite absorber layer is demonstrated. Rubidium chloride is introduced to embed (PbI 2 ) 2 RbCl complex seeds in the first‐deposited PbI 2 precursor, which assists in uniform crystallization of the perovskite layer with high crystallinity and reduced defect density over large areas. Following the optimization of RbCl additives, a champion PSM with 17.9% PCE on a 7.6 × 7.6 cm 2 substrate with a 37 cm 2 aperture area is achieved. Moreover, the RbCl‐incorporated PSMs demonstrate excellent reproducibility and stability under continuous 1 sun illumination. This work shows that the two‐step blade/dip coating is a promising method for producing high‐efficiency and stable PSMs on an industrially relevant scale.

Energy & Fuels↗

The seventh blind test of crystal structure prediction: structure ranking methods

A seventh blind test of crystal structure prediction has been organized by the Cambridge Crystallographic Data Centre. The results are presented in two parts, with this second part focusing on methods for ranking crystal structures in order of stability. The exercise involved standardized sets of structures seeded from a range of structure generation methods. Participants from 22 groups applied several periodic DFT-D methods, machine learned potentials, force fields derived from empirical data or quantum chemical calculations, and various combinations of the above. In addition, one non-energy-based scoring function was used. Results showed that periodic DFT-D methods overall agreed with experimental data within expected error margins, while one machine learned model, applying system-specific AIMnet potentials, agreed with experiment in many cases demonstrating promise as an efficient alternative to DFT-based methods. For target XXXII, a consensus was reached across periodic DFT methods, with consistently high predicted energies of experimental forms relative to the global minimum (above 4 kJ mol −1 at both low and ambient temperatures) suggesting a more stable polymorph is likely not yet observed. The calculation of free energies at ambient temperatures offered improvement of predictions only in some cases (for targets XXVII and XXXI). Several avenues for future research have been suggested, highlighting the need for greater efficiency considering the vast amounts of resources utilized in many cases.

Chemistry↗

Curved lattices of crystals formed in glass

Atomic arrangements systemically deviating from the classic definition of single crystal lattice have been known in spherulites for over a century. However, their unusual curved lattice could not be exploited for useful applications due to their uncontrolled orientations and lattice curvatures. Heating of glass with focused laser, electron or x-ray beam has yielded well-defined conditions for forming single crystal architectures. Furthermore, by controlling the conditions of irradiation and confinement by glass matrix for a given system, desired lattice curvature (rotations and twists) can be reproducibly introduced into these crystals. Here, we review several examples of laser-fabricated crystals with curved lattices in glass using a common coordinate system, which helps to establish correlations between processing parameters and lattice curvature. Here, the mechanisms of lattice deformations are discussed along with potential methods to control the orientation of the initially formed seeds that determine the lattice orientations of the end product. The recent developments of laser-fabrication of single crystal architecture in glass with controlled heating profile appear promising for engineering the curvature of their lattices.

36 MATERIALS SCIENCE↗

Octave-spanning mid-infrared femtosecond OPA in a ZnGeP 2 pumped by a 2.4 μm Cr:ZnSe chirped-pulse amplifier

We report on the highly efficient, octave-spanning mid-infrared (mid-IR) optical parametric amplification (OPA) in a ZnGeP 2 (ZGP) crystal, pumped by a 1 kHz, 2.4 μm, 250 fs Cr:ZnSe chirped-pulse amplifier. The full spectral coverage of 3−10 μm with the amplified signal and idler beams is demonstrated. The signal beam in the range of ∼3 − 5 μm is produced by either white light generation (WLG) in YAG or optical parametric generation (OPG) in ZGP using the common 2.4 μm pump laser. We demonstrate the pump to signal and idler combined conversion efficiency of 23% and the pulse energy of up to 130 μJ with ∼2 μJ OPG seeding, while we obtain the efficiency of 10% and the pulse energy of 55 μJ with ∼0.2 μJ WLG seeding. The OPA output energy is limited by the available pump pulse energy (0.55 mJ at ZGP crystal) and therefore further energy scaling is feasible with multi-stage OPA and higher pump pulse energy. The autocorrelation measurements based on random quasi-phase matching show that the signal pulse durations are ∼318 fs and ∼330 fs with WLG and OPG seeding, respectively. In addition, we show the spectrally filtered 30 μJ OPA output at 4.15 μm suitable for seeding a Fe:ZnSe amplifier. Our ultrabroadband femtosecond mid-IR source is attractive for various applications, such as strong-field interactions, dielectric laser electron acceleration, molecular spectroscopy, and medical surgery.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Novel dual-reflection design applied for ITER core x-ray spectrometer

Here. a novel dual-reflection configuration is introduced for the International Tokamak Experimental Reactor (ITER) core x-ray spectrometer to fit the allocated space where it will be placed accompanied by moving the detectors backward to reduce the incident radiation dose. The highly oriented pyrolytic graphite, which has a mosaic structure of microscopic crystallites, is chosen for the front reflector motivated by higher x-ray throughput and stronger misalignment tolerance compared to the perfect crystal reflector. In the ITER core x-ray spectrometer, a combination of several reflector-deflected Lines of Sight (LOSs) and a direct LOS is proposed for the first time named X-Ray Crystal Spectroscopy Core (XRCS-Core). The system is optimized to observe lines from externally seeded xenon and the intrinsic tungsten impurity, meeting both port integration needs and measurement requirements. Its spectral performance is simulated using an analytical-raytracing mixed code——XRSA, showing good imaging quality with a spectral resolution higher than 8000. The XRCS-Core system is thought to be applicable in various ITER scenarios through the assessment taking into account the spectrometers’ specifications and the chosen lines’ emissivity in different plasma parameters.

47 OTHER INSTRUMENTATION↗

Numerical characterization of quasi-steady thermal load for thin crystal at cryogenic temperature with nondiffusive heat transfer

With dramatically improved brightness and repetition rate, the thermal load for crystal optics in x-ray free-electron laser applications has also significantly increased. To mitigate the thermal load, one effective method is cryogenic cooling. However, the emerging nondiffusive heat transfer phenomenon at cryogenic temperature may cause design failure if overlooked. To evaluate the optical performance of thin crystal optics under thermal load at cryogenic temperature, an integrated numerical tool is presented and applied to characterize the thermal load on thin crystals with nondiffusive phenomena accounted. Significant thermally induced distortion of the rocking curve is observed from numerical simulation, leading to potential seed power reduction in hard x-ray self-seeding application. Cryogenic cooling is confirmed necessary by simulation to handle the thermal load at high repetition rate operation.

42 ENGINEERING↗

Czochralski growth and characterization of the multicomponent garnet (Lu 1/4 Yb 1/4 Y 1/4 Gd 1/4 ) 3 Al 5 O 12

This work demonstrates the potential for practical scalable growth of complex garnets and evaluates the implications of a multicomponent composition in the optical quality and elemental distribution of a Czochralski-grown crystal. Furthermore, our experimental approach was designed to elucidate the relation between a complex garnet composition ( Lu 1 / 4 Yb 1 / 4 Y 1 / 4 Gd 1 / 4 ) 3 Al 5 O 12 , crystal growth parameters, crystal structural, and elemental homogeneity. Our hypothesis is that combining multiple rare earths (REs) that will fractionally occupy the dodecahedral site in the aluminum garnet structure will result in a stable, single garnet compound that can be grown by the Czochralski method. Single-crystal and powder x-ray diffraction indicated a single garnet phase with an increasing unit cell volume from seed to tail. In addition, we propose that the pattern of elemental segregation will be based on the deviation of the ionic radius of each constituent RE from the average RE ionic radius of the multicomponent garnet. Electron probe microanalysis revealed that ions that are smaller than that average ( Lu 3 + and Yb 3 + ) are preferentially incorporated in the crystal, while elements that are larger than that average ( Gd 3 + ) are rejected. The ionic radius of Y 3 + is close to that average and yttrium segregation was minimal. The concentrations of the four REs are closer to stoichiometric on the tail end of the boule. Scanning electron microscopy and energy-dispersive x-ray spectroscopy analysis reveal Gd-rich inclusions with eutectic microstructures in the tail end of the boule.

36 MATERIALS SCIENCE↗

Stimulated emission tomography for efficient characterization of spatial entanglement

Stimulated-emission tomography (SET) is an excellent tool for characterizing the process of spontaneous parametric down conversion (SPDC), which is commonly used to create pairs of entangled photons for use in quantum information protocols. The use of stimulated emission increases the average number of detected photons by several orders of magnitude compared to the spontaneous process. In a SET measurement, the parametric down conversion is seeded by an intense signal field prepared with specified mode properties rather than by broadband multimodal vacuum fluctuations, as is the case for the spontaneous process. The SET process generates an intense idler field in a mode that is the complex conjugate to the signal mode. In this work we use SET to estimate the joint spatial mode distribution (JSMD) in the Laguerre-Gaussian (LG) basis of the two photons of an entangled photon pair. The pair is produced by parametric down conversion in a beta barium borate (BBO) crystal with type-II phase matching pumped at a wavelength of 405 nm along with a 780 nm seed signal beam prepared in a variety of LG modes to generate an 842 nm idler beam of which the spatial mode distribution is measured. We observe strong idler production and good agreement with the theoretical prediction of its spatial mode distribution. Our experimental procedure should enable the efficient determination of the photon-pair wavefunctions produced by low-brightness SPDC sources and the characterization of high-dimensional entangled-photon pairs. Published by the American Physical Society 2024

Xu, Yang (ORCID:0009000954547320)↗

Cascaded hard X-ray self-seeded free-electron laser at megahertz repetition rate

High-resolution X-ray spectroscopy in the sub-nanosecond to femtosecond time range requires ultrashort X-ray pulses and a spectral X-ray flux considerably larger than that presently available. X-ray free-electron laser (XFEL) radiation from hard X-ray self-seeding (HXRSS) setups has been demonstrated in the past and offers the necessary peak flux properties. So far, these systems could not provide high repetition rates enabling a high average flux. We report the results for a cascaded HXRSS system installed at the European XFEL, currently the only operating high-repetition-rate hard X-ray XFEL facility worldwide. A high repetition rate, combined with HXRSS, allows the generation of millijoule-level pulses in the photon energy range of 6–14 keV with a bandwidth of around 1 eV (corresponding to about 1 mJ eV –1 peak spectral density) at the rate of ten trains per second, each train including hundreds of pulses arriving at a megahertz repetition rate. At 2.25 MHz repetition rate and photon energies in the 6–7 keV range, we observed and characterized the heat-load effects on the HXRSS crystals, substantially altering the spectra of subsequent X-ray pulses. We demonstrated that our cascaded self-seeding scheme reduces this detrimental effect to below the detection level. This opens up exciting new possibilities in a wide range of scientific fields employing ultrafast X-ray spectroscopy, scattering and imaging techniques.

47 OTHER INSTRUMENTATION↗