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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Monte Carlo simulation of shielding designs for a cabinet form factor preclinical MV–energy photon FLASH radiotherapy system

Purpose: A preclinical MV-energy photon FLASH radiotherapy system is being designed at Stanford and SLAC National Accelerator Laboratory. Because of the higher energy and dose rate compared to conventional kV-energy photon laboratory-scale irradiators, adequate shielding in a stand-alone cabinet form factor is more challenging to achieve. We present a Monte Carlo simulation of multilayered shielding for a compact self-shielding system without the need for a radiation therapy vault. Methods: A multilayered shielding approach using multiple alternating layers of high-Z and low-Z materials is applied to the self-shielded cabinet to effectively mitigate the secondary radiation produced and to allow the device to be housed in a Controlled Radiation Area outside of a radiation vault. The multilayered shielding approach takes advantage of the properties of high-Z and low-Z radiation shielding materials such as density, cross-section, atomic number of the shielding elements, and products of radiation interactions within each layer. The Monte Carlo radiation transport code, FLUKA, is used to simulate the total effective dose produced by the operation. Results: The multilayered shielding designs proposed and simulated produced effective dose rates significantly lower than monolayer designs with the same total material thickness at the regulatory boundary; this is accomplished through the manipulation of the locations where secondary radiation is produced and reactions due to material properties such as neutron back reflection in hydrogen. Borated polyethylene at 5 wt% significantly increased the shielding performance as compared to regular polyethylene, with the magnitude of the reduction depending upon the order of the shielding material. Conclusions: The multilayered shielding provides a path for shielding preclinical FLASH systems that deliver MV-energy bremsstrahlung photons. Furthermore, this approach promises to be more efficient with respect to the shielding material mass and space claim as compared to shielded vaults typically required for clinical radiation therapy with MV photons.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

A 2 × 1 all-optical multiplexer using Kerr nonlinear nano-plasmonic switch

In this paper, a novel surface plasmon polariton based 2 × 1 multiplexer, which is based on an adder module and an all-optical controllable nano-plasmonic switching module is presented. It is shown that by applying a pump light, the transmissions of the input signals into the output waveguide can be controlled. The operation of the proposed device is investigated through the use of coupled-mode theory and finite-difference time-domain method. In the proposed adder module, the transmissions of the input signals at the working wavelengths are about 0.7. Based on the simulation results, by applying a pump light intensity of 150 KW/cm{sup 2} the transmissions of input signals alter with the extinction ratio of 22.04 dB, which shows a significant switching effect. For a pump light intensity of 150 KW/cm{sup 2} the switching times of input signals are measured about 560 fs. It is expected that the proposed 2 × 1 multiplexer can be used in all-optical signal processing, nano-plasmonic circuits, communication, etc.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Additively manufactured mixed potential electrochemical sensors for NO x , C 3 H 8 , and NH 3 detection

Additive manufacturing of mixed potential electrochemical sensors opens the possibility to perform rapid prototyping of electrode and electrolyte materials. We report for the first time the use of this technique for the fabrication of solid-state electrochemical gas sensors of the mixed potential type and assessment of variability in the manufacturing process. La 0.87 Sr 0.13 CrO 3 (LSCO) and Pt electrodes bridged with a porous yttria-stabilized zirconia (YSZ) have been deposited on YSZ substrates by direct-write extrusion of pastes and inks. The sensors are evaluated for their sensitivity to 200 ppm of NO x , C 3 H 8 , and NH 3 . There is a need to understand how variations in intrinsic materials parameters during manufacturing such as differences in porosity affect the gas sensing of additively manufactured sensors to guide optimization of their performance and serve as quality control techniques. Further characterizations of these devices include electrochemical impedance spectroscopy and an aqueous electrochemical assessment of the electrode surface area and diffusion through the porous layer. In conclusion, we find a correlation of increased sensitivity with larger gas reaction impedance, higher Pt electrode surface area, and slower diffusion.

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

A first principles framework to predict the transient performance of latent heat thermal energy storage

Thermal energy storage (TES) is increasingly recognized as an essential component of efficient Combined Heat and Power (CHP), Concentrated Solar Power (CSP), Heating Ventilation and Air Conditioning (HVAC), and refrigeration as it reduces peak demand while helping to manage intermittent availability of energy (e.g., from solar or wind). Latent Heat Thermal Energy Storage (LHTES) is a viable option because of its high energy storage density. Parametric analysis of LHTES in terms of dimensionless numbers is highly desired as a tool to model LHTES systems. One approach is to develop a model equation so as to minimize the error between the model and data obtained from experiments or simulations. While this approach can produce an accurate correlation applicable within the range of data used for its creation, it does not provide physical understanding of the rate-limiting process controlling the transient behavior of the device. In this paper we present an alternative approach whereby the potential rate-limiting processes are identified from first principles and then the key process is determined as a function of time as a LHTES device is charged. For example, in a simple geometry, the melt-fraction can be expected to vary linearly in time if the heat transfer rate is limited by natural convection of the phase changing material and we show it scales with the PCM Grashof number as $Gr^1_p$ and PCM Prandtl number as $Pr_p^{(1/3)}$. On the other hand, if surface area of solid PCM limits the heat transfer rate, the melt fraction increases asymptotically to reach full melting. The existence of these linear and asymptotic regions and the $Gr^1_pP r^{1/3}_p$ shape of the melt fraction curve is verified using our database of 64 simulations. Of practical importance in designing LHTES devices is the melt fraction at which the heat transfer rate ceases to be limited by convection, after which the heat storage rate deteriorates. For our geometry, this is found to be about 90%. This test case of our methodology shows the value of our approach, that predicting heat storage rate based on the rate-limiting physical phenomenon as a function of time is an effective approach to modeling LHTES devices.

25 ENERGY STORAGE↗
DOE OSTI2022

Carbon and silicon background impurity control in undoped GaN layers grown with trimethylgallium and triethylgallium via metalorganic chemical vapor deposition

The unintentional impurity incorporation in GaN epitaxial layers impacts the electrical conductivity and optical properties of the films grown by metalorganic chemical vapor deposition (MOCVD). It is critical to control impurity-related states for device structure development. The aim of this work is to contribute to the understanding of the reasons for the presence of certain background impurities. In this paper, the unintentional impurity incorporation of carbon, hydrogen, oxygen, and silicon in undoped (u-) GaN films grown by low-pressure MOCVD were studied. Background impurity concentrations were evaluated by secondary ion mass spectroscopy (SIMS) to optimize growth parameters including V/III ratio, growth temperature (T g ), growth pressure (P g ), and gallium (Ga) precursors of trimethylgallium (TMG) or triethylgallium (TEG). Unintentional [C] and [Si] incorporations are found to be highly dependent on the growth parameters. Further, for the same growth conditions, u-GaN films grown with a TEG precursor exhibited a lower background concentration of C compared to that of GaN grown with TMG. However, the lowest background [C] achieved was grown with TMG using optimized conditions and exhibited [C]<4×10 15 cm -3 which was at the detection limit of the SIMS measurement. These results were measured for a u-GaN layer grown with TMG at 200 Torr, 1030°C, and a V/III of 3700. The lowest background [Si] of 4×10 15 cm -3 was achieved by growing with TMG at 200 Torr, 1000°C, and V/III of 650.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Functional Nano-to-Microstructures by Jet Printing and Direct Ink Writing

Jet-based printing techniques and direct ink writing have emerged as complementary, convergent technologies serving as key platforms in additive manufacturing for functional nano- to microscale architectures. This review highlights how these approaches enable fine feature resolution and three-dimensional structures in advanced electronics and biointerfacing applications. The interplay of fluid mechanics, viscoelastic ink rheology, droplet–substrate interactions, and drying dynamics is examined as a critical determinant of printing fidelity. Application-focused case studies, from flexible thin-film transistors to bioprinted artificial tissues, demonstrate how precise structural control via printing translates to enhanced device performance and new functionality in electronic and biological systems. Finally, we discuss the challenges and future opportunities driving the evolution of these printing platforms toward autonomous, adaptive, and intelligent manufacturing systems.

Luo, Junchen [Sichuan Univ. of Arts and Science (C↗
DOE OSTI2020

Solid-State Ionic Rectification in Perovskite Nanowire Heterostructures

Halide perovskites have attracted increasing research attention with regard to their potential for optoelectronic applications. Because of its low activation energy, ion migration is implicated in the long-term stability and many unusual transport behaviors of halide perovskite devices. However, direct observation and precise control of the ionic transport in halide perovskite crystals remain challenging. Here, we have designed an axial CsPbBr 3 -CsPbCl 3 nanowire heterostructure, in which electric-field-induced halide ion migration was clearly visualized and quantified. We demonstrated that halide ion migration is dependent on the applied electric field and exhibits ionic rectification in this solid-state system, which is due to the nonuniform distribution of the ionic vacancies in the nanowire that results from a competition between electrical screening and their creation/destruction at the electrodes' interfaces. Furthermore, the asymmetric heterostructure characteristics add an additional knob to control the ion movement in the design of advanced ionic circuits with halide perovskites as building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ultrafast Optomechanical Strain in Layered GeS

Strong coupling between light and mechanical strain forms the foundation for next-generation optical micro- and nano-electromechanical systems. Such optomechanical responses in two-dimensional materials present novel types of functionalities arising from the weak van der Waals bond between atomic layers. In this paper, by using structure-sensitive megaelectronvolt ultrafast electron diffraction, we report the experimental observation of optically driven ultrafast in-plane strain in the layered group IV monochalcogenide germanium sulfide (GeS). Surprisingly, the photoinduced structural deformation exhibits strain amplitudes of order 0.1% with a 10 ps fast response time and a significant in-plane anisotropy between zigzag and armchair crystallographic directions. Rather than arising due to heating, experimental and theoretical investigations suggest deformation potentials caused by electronic density redistribution and converse piezoelectric effects generated by photoinduced electric fields are the dominant contributors to the observed dynamic anisotropic strains. Our observations define new avenues for ultrafast optomechanical control and strain engineering within functional devices.

2D materials↗
DOE OSTI2016

Tailoring Vacancies Far Beyond Intrinsic Levels Changes the Carrier Type and Optical Response in Monolayer MoSe 2- x Crystals

Defect engineering has been a critical step in controlling the transport characteristics of electronic devices, and the ability to create, tune, and annihilate defects is essential to enable the range of next-generation devices. Whereas defect formation has been well-demonstrated in three-dimensional semiconductors, similar exploration of the heterogeneity in atomically thin two-dimensional semiconductors and the link between their atomic structures, defects, and properties has not yet been extensively studied. In this paper, we demonstrate the growth of MoSe 2–x single crystals with selenium (Se) vacancies far beyond intrinsic levels, up to ~20%, that exhibit a remarkable transition in electrical transport properties from n- to p-type character with increasing Se vacancy concentration. A new defect-activated phonon band at ~250 cm -1 appears, and the A 1g Raman characteristic mode at 240 cm -1 softens toward ~230 cm -1 which serves as a fingerprint of vacancy concentration in the crystals. We show that post-selenization using pulsed laser evaporated Se atoms can repair Se-vacant sites to nearly recover the properties of the pristine crystals. Finally, first-principles calculations reveal the underlying mechanisms for the corresponding vacancy-induced electrical and optical transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Radical Polymer-Based Organic Electrochemical Transistors

Organic electrochemical transistors (OECTs) are an emerging platform for bioelectronic applications. Significant effort has been placed in designing advanced polymers that simultaneously transport both charge and ions (i.e., macromolecules that are mixed conductors). Furthermore, the considerations for mixed organic conductors are often different from the established principles that are well-known in the solid-state organic electronics field; thus, the discovery of new OECT macromolecular systems is highly desired. Here, we demonstrate a new materials system by blending a radical polymer (i.e., a macromolecule with a nonconjugated backbone and with stable open-shell sites at its pendant group) with a frequently used conjugated polymer. Specifically, poly(4-glycidyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl) (PTEO) was blended with poly(3-hexylthiophene) (P 3 HT) to create thin films with distinct closed-shell and open-shell domains. Importantly, the sharp and unique oxidation–reduction (redox) potential associated with the radical moieties of the PTEO chain provided a distinct actuation feature to the blended films that modulated the ionic transport of the OECT devices. In turn, this led to controlled regulation of the doping of the P 3 HT phase in the composite film. By decoupling the ionic and electronic transport into two distinct phases and by using an ion transport phase with well-controlled redox activity, never-before-seen performance for a P3HT-based OECT was observed. That is, at loadings as low as 5% PTEO (by weight) OECTs achieved figure-of-merit (i.e., μC*) values >150 F V –1 cm –1 s –1 , which place the performance on the same order as state-of-the-art conjugated polymers despite the relatively common conjugated macromolecular moiety implemented. As such, this effort presents a design platform by which to readily create a tailored OECT response through strategic macromolecular selection and polymer processing.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Supramolecular Control of Ionic Retention in Electrolyte-Gated Synaptic Transistors

Electrolyte-gated transistors with ion-trapping layers offer a promising platform for artificial synapses in neuromorphic computing, yet molecular mechanisms governing ionic retention remain poorly understood. Here, in this study, we present a supramolecular approach to modulate ion retention by incorporating a crown ether derivative-based polymer network as an ion-trapping layer on top of a semiconducting monolayer. We show that the balance between ion–host binding and ion–solvent interactions dictates the kinetics of ion capture and release, which in turn controls the memory characteristics of the device. By varying the solvent dielectric constant, we tune the ionic retention time from nearly permanent trapping to rapid relaxation. Intermediate solvent polarity enables programmable short- and long-term synaptic behaviors, including excitatory postsynaptic current, paired-pulse facilitation, and long-term potentiation and depression. These findings establish a direct link between supramolecular ion recognition and synaptic plasticity and provide a generalizable design strategy for ionic–electronic neuromorphic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Surface control of epitaxial manganite films via oxygen pressure

The trend to reduce device dimensions demands increasing attention to atomic-scale details of structure of thin films as well as to pathways to control it. We found that this is of special importance in the systems with multiple competing interactions. We have used in situ scanning tunneling microscopy to image surfaces of La 5/8 Ca 3/8 MnO 3 films grown by pulsed laser deposition. The atomically resolved imaging was combined with in situ angle-resolved X-ray photoelectron spectroscopy. We find a strong effect of the background oxygen pressure during deposition on structural and chemical features of the film surface. Deposition at 50 mTorr of O 2 leads to mixed-terminated film surfaces, with B-site (MnO 2 ) termination being structurally imperfect at the atomic scale. Moreover, a relatively small reduction of the oxygen pressure to 20 mTorr results in a dramatic change of the surface structure leading to a nearly perfectly ordered B-site terminated surface with only a small fraction of A-site (La,Ca)O termination. This is accompanied, however, by surface roughening at a mesoscopic length scale. The results suggest that oxygen has a strong link to the adatom mobility during growth. The effect of the oxygen pressure on dopant surface segregation is also pronounced: Ca surface segregation is decreased with oxygen pressure reduction.

42 ENGINEERING↗
DOE OSTI2018

Damping Off Terahertz Sound Modes of a Liquid upon Immersion of Nanoparticles

Here, the control of phonon propagation in nanoparticle arrays is one of the frontiers of nanotechnology, potentially enabling the discovery of materials with unknown functionalities for potential innovative applications. The exploration of the terahertz window appears quite promising as phonons in this range are the leading carriers of heat transport in insulators and their control is the key to implement devices for heat flow management. Unfortunately, this scientific field is still in its infancy, and even a basic topic such as the influence of floating nanoparticles on the terahertz phonon propagation of a colloidal suspension still eludes a firm answer. Shedding some light on this topic is the main motivation of the present work, which focuses an inelastic X-ray scattering (IXS) measurements on a dilute suspension of Au nanospheres in water. Measured spectra showed a nontrivial shape displaying multiple inelastic features that, based on a Bayesian inference analysis, we assign to phonon modes propagating throughout the nanoparticle interior. Surprisingly, the spectra bear no evidence of propagating modes, which are known to dominate the spectrum of pure water, owing to the scattering that these modes suffer from the sparse nanoparticles in suspension. In perspective, this finding may inspire simple routes to manipulate high-frequency acoustic propagation in hybrid—liquid and solid—materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Substitutional Doping Widens Silicene Gap

A numerical study of electronic transport properties of doped silicene is presented. By means of ab initio calculations a self-consistent scattering potential is derived for boron, nitrogen, aluminium, and phosphorus substitutions in silicene, and the quantum-mechanical Landauer-Büttiker approach is used to evaluate the conductivities of doped silicene ribbons with various impurity concentrations. An individual defect introduces asymmetric electronhole conductivities that depend both on the type of doping and the position of the foreign atom with respect to the edges. Quantum interference effects at zero temperature are modeled to show that randomly distributed defects over 1 mm long and realistically wide silicon nanoribbons widen the intrinsic electr onic gap that arises from quantum confinement. Mobility gaps created at low doping rates may lead to greater efficiency in the design of new silicon-based devices, providing the ability for suitable control of silicon ribbons band gap.

Lopez-Bezanilla, Alejandro↗
DOE OSTI2014

Reversible electric-field control of magnetization at oxide interfaces

Electric field control of magnetism has remained a major challenge which would greatly impact data storage technology. Although progress in this direction has been recently achieved, reversible magnetization switching by an electric field requires the assistance of a bias magnetic field. In this work, we take advantage of the novel electronic phenomena emerging at interfaces between correlated oxides and demonstrate reversible, voltage-driven magnetization switching without magnetic field. Sandwiching a (non superconducting) cuprate between two manganese oxide layers, we find a novel form of magnetoelectric coupling arising from the orbital reconstruction at the interface between interfacial Mn spins and localized states in the CuO2 planes. This results in a ferromagnetic coupling between the manganite layers that can be controlled by a voltage. Consequently, the devices can be electrically toggled between two magnetization states (and corresponding spin-dependent resistance states in magnetic tunnel junctions) in the absence of a magnetic field.

Cuellar, F. A.↗
DOE OSTI2015

X-ray photonic microsystems for the manipulation of synchrotron light

In this study, photonic microsystems played an essential role in the development of integrated photonic devices, thanks to their unique spatiotemporal control and spectral shaping capabilities. Similar capabilities to markedly control and manipulate X-ray radiation are highly desirable but practically impossible due to the massive size of the silicon single-crystal optics currently used. Here we show that micromechanical systems can be used as X-ray optics to create and preserve the spatial, temporal and spectral correlation of the X-rays. We demonstrate that, as X-ray reflective optics they can maintain the wavefront properties with nearly 100% reflectivity, and as a dynamic diffractive optics they can generate nanosecond time windows with over 100-kHz repetition rates. Since X-ray photonic microsystems can be easily incorporated into lab-based and next-generation synchrotron X-ray sources, they bring unprecedented design flexibility for future dynamic and miniature X-ray optics for focusing, wavefront manipulation, multicolour dispersion, and pulse slicing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The effect of intrinsic crumpling on the mechanics of free-standing graphene

Free-standing graphene is inherently crumpled in the out-of-plane direction due to dynamic flexural phonons and static wrinkling. We explore the consequences of this crumpling on the effective mechanical constants of graphene. We develop a sensitive experimental approach to probe stretching of graphene membranes under low applied stress at cryogenic to room temperatures. We find that the in-plane stiffness of graphene is 20–100 N m –1 at room temperature, much smaller than 340 N m –1 (the value expected for flat graphene). Moreover, while the in-plane stiffness only increases moderately when the devices are cooled down to 10 K, it approaches 300 N m –1 when the aspect ratio of graphene membranes is increased. Finally, these results indicate that softening of graphene at temperatures <400 K is caused by static wrinkling, with only a small contribution due to flexural phonons. Altogether, these results explain the large variation in reported mechanical constants of graphene devices and pave the way towards controlling their mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Perovskite ink with wide processing window for scalable high-efficiency solar cells

Perovskite solar cells have made tremendous progress using laboratory-scale spin-coating methods in the past few years owing to advances in controls of perovskite film deposition. However, devices made via scalable methods are still lagging behind state-of-the-art spin-coated devices because of the complicated nature of perovskite crystallization from a precursor state. Here we demonstrate a chlorine-containing methylammonium lead iodide precursor formulation along with solvent tuning to enable a wide precursor-processing window (up to ~8 min) and a rapid grain growth rate (as short as ~1 min). Coupled with antisolvent extraction, this precursor ink delivers high-quality perovskite films with large-scale uniformity. The ink can be used by both spin-coating and blade-coating methods with indistinguishable film morphology and device performance. Using a blade-coated absorber, devices with 0.12-cm 2 and 1.2-cm 2 areas yield average efficiencies of 18.55% and 17.33%, respectively. As a result, we further demonstrate a 12.6-cm 2 four-cell module (88% geometric fill factor) with 13.3% stabilized active-area efficiency output.

14 SOLAR ENERGY↗