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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Phase-amplitude coupling characteristics in directly modulated quantum dot lasers

We present a semi-analytical model for studying the phase-amplitude coupling (α-factor) in quantum dot (QD) semiconductor lasers, which takes into account the influence of carrier populations in the excited state and in the two-dimensional carrier reservoir on the refractive index change. Calculations of the α-factor based on the amplified spontaneous emission method and on the “FM/AM” technique are both investigated. It is shown that the α-factor of a QD laser strongly depends on the energy separation between the ground state and the off-resonant states. Through band structure engineering, the α-factor can be reduced by enlarging this energy separation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Optical waveguides in lithium niobate: Recent developments and applications

The state of the art of optical waveguide fabrication in lithium niobate is reviewed, with particular emphasis on new technologies and recent applications. The attention is mainly devoted to recently developed fabrication methods, such as femtosecond laser writing, ion implantation, and smart cut waveguides as well as to the realization of waveguides with tailored functionalities, such as photorefractive or domain engineered structures. More exotic systems, such as reconfigurable and photorefractive soliton waveguides, are also considered. Classical techniques, such as Ti in-diffusion and proton exchange, are cited and briefly reviewed as a reference standpoint to highlight the recent developments. In all cases, the application-oriented point of view is preferred, in order to provide the reader with an up-to date panorama of the vast possibilities offered by lithium niobate to integrated photonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A servo controlled gradient loading triaxial model test system for deep-buried cavern

A servo controlled gradient loading model test system is developed to simulate the gradient geostress in deep-buried cavern. This system consists of the gradient loading apparatus, the digital servo control device, and the measurement system. Among them, the gradient loading apparatus is the main component which is used for exerting load onto the model. This loading apparatus is placed inside the counterforce wall/beam and is divided to several different loading zones, with each loading zone independently controlled. This design enables the gradient loading. Hence, the “real” geostress field surrounding the deep-buried cavern can be simulated. The loading or unloading process can be controlled by the human-computer interaction machines, i.e., the digital servo control system. It realizes the automation and visualization of model loading/unloading. In addition, this digital servo could control and regulate hydraulic loading instantaneously, which stabilizes the geostress onto the model over a long term. During the loading procedure, the collision between two adjacent loading platens is also eliminated by developing a guide frame. This collision phenomenon is induced by the volume shrinkage of the model when compressed in true 3D state. In addition, several accurate measurements, including the optical and grating-based method, are adopted to monitor the small deformation of the model. Hence, the distortion of the model could be accurately measured. In order to validate the performance of this innovative model test system, a 3D geomechanical test was conducted on a simulated deep-buried underground reservoir. The result shows that the radial convergence increases rapidly with the release of the stress in the reservoir. Moreover, the deformation increases with the increase of the gas production rate. This observation is consistence with field observation in petroleum engineering. The system is therefore capable of testing deep-buried engineering structures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Imaging microscopic electronic contrasts at the interface of single-layer WS 2 with oxide and boron nitride substrates

The electronic properties of devices based on two-dimensional materials are significantly influenced by interactions with the substrate and electrode materials. In this work, we use photoemission electron microscopy to investigate the real- and momentum-space electronic structures of electrically contacted single-layer WS 2 stacked on hBN, SiO 2 , and TiO 2 substrates. Furthermore, using work function and X-ray absorption imaging, we single-out clean microscopic regions of each interface type and collect the valence band dispersion. We infer the alignments of the electronic bandgaps and electron affinities from the measured valence band offsets of WS2 and the three substrate materials using a simple electron affinity rule and discuss the implications for vertical band structure engineering using mixed three- and two-dimensional materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Dynamics of reconfigurable artificial spin ice: Toward magnonic functional materials

Over the past few years, the study of magnetization dynamics in artificial spin ices has become a vibrant field of study. Artificial spin ices are ensembles of geometrically arranged, interacting magnetic nanoislands, which display frustration by design. These were initially created to mimic the behavior in rare earth pyrochlore materials and to study emergent behavior and frustration using two-dimensional magnetic measurement techniques. Recently, it has become clear that it is possible to create artificial spin ices, which can potentially be used as functional materials. In this perspective, we review the resonant behavior of spin ices in the GHz frequency range, focusing on their potential application as magnonic crystals. In magnonic crystals, spin waves are functionalized for logic applications by means of band structure engineering. While it has been established that artificial spin ices can possess rich mode spectra, the applicability of spin ices to create magnonic crystals hinges upon their reconfigurability. Consequently, we describe recent work aiming to develop techniques and create geometries allowing full reconfigurability of the spin ice magnetic state. We also discuss experimental, theoretical, and numerical methods for determining the spectral response of artificial spin ices and give an outlook on new directions for reconfigurable spin ices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Persistent polyamorphism in the chiton tooth: From a new biomineral to inks for additive manufacturing

Engineering structures that bridge between elements with disparate mechanical properties are a significant challenge. Organisms reap synergy by creating complex shapes that are intricately graded. For instance, the wear-resistant cusp of the chiton radula tooth works in concert with progressively softer microarchitectural units as the mollusk grazes on and erodes rock. Herein, we focus on the stylus that connects the ultrahard and stiff tooth head to the flexible radula membrane. Using techniques that are especially suited to probe the rich chemistry of iron at high spatial resolution, in particular synchrotron Mössbauer and X-ray absorption spectroscopy, we find that the upper stylus of Cryptochiton stelleri is in fact a mineralized tissue. Remarkably, the inorganic phase is nano disperse santabarbaraite, an amorphous ferric hydroxyphosphate that has not been observed as a biomineral. The presence of two persistent polyamorphic phases, amorphous ferric phosphate and santabarbaraite, in close proximity, is a unique aspect that demonstrates the level of control over phase transformations in C. stelleri dentition. The stylus is a highly graded material in that its mineral content and mechanical properties vary by a factor of 3 to 8 over distances of a few hundred micrometers, seamlessly bridging between the soft radula and the hard tooth head. Furthermore, the use of amorphous phases that are low in iron and high in water content may be key to increasing the specific strength of the stylus. Finally, we show that we can distill these insights into design criteria for inks for additive manufacturing of highly tunable chitosan-based composites.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructures and mechanical properties of a welded CoCrFeMnNi high-entropy alloy

The response of the CoCrFeMnNi high-entropy alloy to weld thermal cycles was investigated to determine its applicability as an engineering structural material. Two processes were used: high-energy-density, low-heat-input electron beam (EB) welding and low-energy-density, high-heat-input gas tungsten arc (GTA) welding. Weldability was determined through comprehensive microstructural and mechanical property characterisation of the welds. The welds did not develop solidification cracking or heat-affected zone cracks. The microstructures in weld fusion zones are similar to that in the as-cast materials, consisting of large columnar grains with dendrite. The dendrite arm spacing and the extent of elemental segregation were less in the welds than in the cast ingot, and also were less pronounced in the EB weld than in the GTA weld. Compositional microsegregation between dendritic cores and interdendritic regions of the welds was insignificant. Both welds exhibited slightly higher yield strengths than the base metal. The EB weld possessed comparable tensile strength and ductility to that of the base metal. In comparison, the GTA weld maintained ∼80% of the base metal's tensile strength and 50% of the ductility.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electron Beam-Induced Phase Transformations in Different Crystal Orientations of a 2D van der Waals Magnet

To control materials properties at the nanoscale, the well-focused electron beam of the scanning transmission electron microscope (STEM) can be used as a tool to engineer structure with atomic precision. For 2D magnets, especially the highly anisotropic materials AgCrP2S6 and CrSBr, we find here that the STEM serves as a powerful tool for sculpting the arrangement of atoms, with the potential to modulate local magnetic properties.

Park, Eugene [Massachusetts Inst. of Technology (M↗
DOE OSTI2019

Weak antilocalization in quasi-two-dimensional electronic states of epitaxial LuSb thin films

Observation of large nonsaturating magnetoresistance in rare-earth monopnictides has raised enormous interest in understanding the role of its electronic structure. Here, by a combination of molecular-beam epitaxy, low-temperature transport, angle-resolved photoemission spectroscopy, and hybrid density functional theory we have unveiled the band structure of LuSb, where electron-hole compensation is identified as a mechanism responsible for large magnetoresistance in this topologically trivial compound. In contrast to bulk single crystal analogues, quasi-two-dimensional behavior is observed in our thin films for both electron and holelike carriers, indicative of dimensional confinement of the electronic states. Introduction of defects through growth parameter tuning results in the appearance of quantum interference effects at low temperatures, which has allowed us to identify the dominant inelastic scattering processes and elucidate the role of spin-orbit coupling. Our findings open up possibilities of band structure engineering and control of transport properties in rare-earth monopnictides via epitaxial synthesis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Dielectric screening at TMD:hBN interfaces: Monolayer-to-bulk transition, local-field effect, and spatial dependence

The dielectric effects of a substrate have been shown to be important for modulating the electronic properties of an adsorbate, especially in van der Waals heterostructures. Here, using the first-principles dielectric embedding GW approach within the framework of many-body perturbation theory, we perform a case study on the dielectric screening effects of hexagonal boron nitride (hBN) on various transition-metal dichalcogenides (TMDs). We consider three systems, monolayer MoS 2 , bilayer MoS 2 , and a mixed WS 2 /MoS 2 bilayer adsorbed on hBN, and examine three aspects of the substrate dielectric screening: (i) the thickness dependence and the monolayer-to-bulk transition, for which we consider the effects of one-, two-, three-, and four-layer hBN; (ii) the local-field effect, for which we numerically assess a common approximation of neglecting the in-plane local-field components of the substrate polarizability; and (iii) the spatial dependence, for which we consider the mixed WS 2 /MoS 2 bilayer adsorbed on hBN with either side facing the substrate. Finally, our results provide quantitative insight into how the substrate screening effects can be leveraged for band structure engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Assessment of Bulk Oxygen Capacity and Transient Redox Behavior of Foamed Lanthanum Strontium Manganese Perovskites

Synthesis of solar thermochemical hydrogen (STCH) production redox materials with engineered structures, for example, replica foams, can enable efficient heat and mass transport and are critical for scaled-up systems. Prior work has motivated the use of lanthanum strontium manganese (LSM)-type perovskites as foamed STCH materials, but the effect of their morphology on bulk and kinetic behavior has not been reported. In this work, replica and direct foamed samples of La 0.65 Sr 0.35 MnO 3-δ (LSM35) were fabricated and compared to synthesized powders and dense monoliths, and similarly synthesized CeO 2-δ (ceria) foams, regarding their specific reaction rates and bulk oxygen capacity/H 2 yields. Changes in oxygen capacity (Δδ) and reaction rates were measured between 1200 °C and 1400 °C by using fixed ratios of steam and hydrogen during both reduction and oxidation steps, allowing for analysis under practical high conversion conditions. Results suggest bulk behavior and reaction rates of the foamed LSM materials are comparable to their powder analogues. Differences in reaction rates were observed only when replica foamed samples were subjected to rapid laser heating (emulating conditions expected in solar furnaces), which is expected but has not been demonstrated at such a small scale. Here, foamed samples were further subjected to 50 redox cycles at 1400 °C to evaluate their stability. Results show no statistically significant decrease in hydrogen production for any of the foamed samples, but the direct foamed samples became brittle with time. Together, these results demonstrate the viability of replica foamed LSM perovskites for integration in scaled-up STCH systems.

08 HYDROGEN↗
DOE OSTI2019

A nanofluidic ion regulation membrane with aligned cellulose nanofibers

The advancement of nanofluidic applications will require the identification of materials with high-conductivity nanoscale channels that can be readily obtained at massive scale. Inspired by the transpiration in mesostructured trees, we report a nanofluidic membrane consisting of densely packed cellulose nanofibers directly derived from wood. Numerous nanochannels are produced among an expansive array of one-dimensional cellulose nanofibers. The abundant functional groups of cellulose enable facile tuning of the surface charge density via chemical modification. The nanofiber-nanofiber spacing can also be tuned from ~2 to ~20 nm by structural engineering. The surface-charge-governed ionic transport region shows a high ionic conductivity plateau of ~2 mS cm -1 (up to 10 mM). The nanofluidic membrane also exhibits excellent mechanical flexibility, demonstrating stable performance even when the membrane is folded 150°. Combining the inherent advantages of cellulose, this novel class of membrane offers an environmentally responsible strategy for flexible and printable nanofluidic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An IIPG-based finite element framework in MOOSE for modeling fiber reinforced composite failure governed by extrinsic cohesive laws

Fiber reinforced composites (FRC) are widely applied to many important engineering structures such as silicon carbide ceramic matrix composite (SiC CMC) of nuclear fuel claddings. Many material and structure failures are initiated at the interface between two distinctive materials, such as the debonding of interfaces of matrix/fiber of composites or bulk matrix/inclusion in metals at micro-scales. Accurate and robust modeling of these interface failures is critical to the development of novel material and structure with improved functionality. This paper presents a discontinuous Galerkin (DG) finite element method based on the Incomplete Interior Penalty scheme and its implementation in MOOSE for modeling material interface behaviors. The proposed method naturally accommodates important extrinsic cohesive zone material models and is capable of modeling the failures of material interfaces across which material properties are highly distinctive. We demonstrate a good performance of the proposed method using single fiber and multiple fiber debonding problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

High pressure induced atomic and mesoscale phase behaviors of one-dimensional TiO 2 anatase nanocrystals

Here, we report the high pressure phase and morphology behavior of ordered anatase titanium dioxide (TiO 2 ) nanocrystal arrays. One-dimensional TiO 2 nanorods and nanorices were synthesized and self-assembled into ordered mesostructures. Their phase and morphological transitions at both atomic scale and mesoscale under pressure were studied using in situ synchrotron wide- and small-angle x-ray scattering (WAXS and SAXS) techniques. At the atomic scale, synchrotron WAXS reveals a pressure-induced irreversible amorphization up to 35 GPa in both samples but with different onset pressures. On the mesoscale, no clear phase transformations were observed up to 20 GPa by synchrotron SAXS. Intriguingly, sintering of TiO 2 nanorods at mesoscale into nano-squares or nano-rectangles, as well as nanorices into nanowires, were observed for the first time by transmission electron microscopy. Such pressure-induced nanoparticle phase-amorphization and morphological changes provide valuable insights for design and engineering structurally stable nanomaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Observation and Simulation of Long-Period Ground Motions In the Persian/Arabian Gulf From Earthquakes in Zagros Thrust Belt

The Arabian Gulf is adjacent to one of the most seismically active fold-and-thrust belts on Earth, the Zagros Mountains. Broadband seismic records of earthquakes in the Zagros Mountains recorded on the Arabian side of the Gulf display long duration surface waves. While shorter periods (< 1 s) are attenuated from crossing the deep sediments (> 10 km) of the Gulf basin, the long period energy is relatively unaffected. Consequently large earthquakes in the Zagros could result in possibly damaging ground motions at long-periods (1-10 s). Such ground motions are of concern for large engineered structures, such as tall buildings and long bridges with resonant periods in the same frequency band (period of 1-10 s).

58 GEOSCIENCES↗
DOE OSTI2014

Draft of M2 Report on Integration of the Hybrid Hydride Model into INL's MBM Framework for Review

This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride {delta}-ZrH{sub 1.5} precipitation in the cladding of used nuclear fuels that may occur during long-term dry storage. While the Zr-based claddings are manufactured free of any hydrogen, they absorb hydrogen during service, in the reactor by a process commonly termed ‘hydrogen pick-up’. The precipitation and growth of zirconium hydrides during dry storage is one of the most likely fuel rod integrity failure mechanisms either by embrittlement or delayed hydride cracking of the cladding. While the phenomenon is well documented and identified as a potential key failure mechanism during long-term dry storage (NUREG/CR-7116), the ability to actually predict the formation of hydrides is poor. The model being documented in this work is a computational capability for the prediction of hydride formation in different claddings of used nuclear fuels. This work supports the Used Fuel Disposition Research and Development Campaign in assessing the structural engineering performance of the cladding during and after long-term dry storage. This document demonstrates a basic hydride precipitation model that is built on a recently developed hybrid Potts-phase field model that combines elements of Potts-Monte Carlo and the phase-field models. The model capabilities are demonstrated along with the incorporation of the starting microstructure, thermodynamics of the Zr-H system and the hydride formation mechanism.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

The Frontiers of Additive Manufacturing

Additive manufacturing, more commonly known as 3-D printing, has become a ubiquitous tool in science for its precise control over mechanical design. For additive manufacturing to work, a 3-D structure is split into thin 2D slices, and then different physical properties, such as photo-polymerization or melting, are used to grow the sequential layers. The level of control allows not only for devices to be made with a variety of materials: e.g. plastics, metals, and quantum dots, but to also have finely controlled structures leading to other novel properties. While 3-D printing is widely used by hobbyists for making models, it also has industrial applications in structural engineering, biological tissue scaffolding, customized electric circuitry, fuel cells, security, and more.

36 MATERIALS SCIENCE↗
DOE OSTI2018

SE 296 Capstone Project Proposal for Katelyn Yeamans UCSD Fall 2018

This project shall be a comprehensive evaluation in the changes in the physical attributes of PETN pellets when stored for prolonged periods under typical storage conditions. The scope of this project is intended to meet the Capstone Project requirements of the UCSD Structural Engineering Master’s Degree and provide useful insight for pellet production and processing. The intended result is a summary report and an accompanying MATLAB program file. The duration of this investigation is not to exceed twelve weeks. If the project cannot be completed within the given time frame,report documentation shall consist of progress-to-date and recommended future work summary and a to a progress-to-date version of the MATLAB file.

36 MATERIALS SCIENCE↗