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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

Olivine lithium iron phosphate is a technologically important electrode material for lithium-ion batteries and a model system for studying electrochemically driven phase transformations. Despite extensive studies, many aspects of the phase transformation and lithium transport in this material are still not well understood. Here we combine operando hard X-ray spectroscopic imaging and phase-field modeling to elucidate the delithiation dynamics of single-crystal lithium iron phosphate microrods with long-axis along the [010] direction. Lithium diffusivity is found to be two-dimensional in microsized particles containing ~3%lithium-iron anti-site defects. Our study provides direct evidence for the previously predicted surface reaction-limited phase-boundary migration mechanism and the potential operation of a hybrid mode of phase growth, in which phase-boundary movement is controlled by surface reaction or lithium diffusion in different crystallographic directions. These findings uncover the rich phase-transformation behaviors in lithium iron phosphate and intercalation com-pounds in general and can help guide the design of better electrodes.

25 ENERGY STORAGE↗
DOE OSTI2020

Phase Transformations among TiO2 Polymorphs

Polymorphs widely exist in nature and synthetic systems and are well known to determine material properties. Understanding phase transformation mechanisms among polymorphs enables the design of structures and tuning of phases to tailor material properties. However, current understanding is limited due to the lack of direct observations that track the processes and the structural evolution is not known at atomic scale. Here, integrating (semi) in situ transmission electron microscopy and density functional theory, we report atomic structural evolutions of phase transformation from anatase (A) to rutile (R), brookite (B), R-phase, and TiO. Besides the consistent paths with previous reports, we discover several unreported paths, including a [001] direction and (020) plane of anatase to [100]A and (011)R of rutile, respectively, ( , ) and , . Density functional theory analysis elucidates atomic structural evolution during the processes and over 16% of Ti-O bonds break and reform during the processes with energy barriers of ~0.7-1.0 eV per TiO2 formula unit. Under electron-beam irradiation, anatase particles transform into TiO2-R phase or TiO at high or room temperature, respectively. We also reveal the anisotropic nature of electron-beam effect, which is seldom discussed: dependence of crystallographic orientation with respect to electron-beam irradiation direction. Understanding the atomic structural evolution sheds light on interpreting and controlling TiO2 polymorphs and interface structures for various applications. The revealed electron-beam effects in our work provide guidance for in situ transmission electron microscopy studies.

Song, Miao↗
DOE OSTI2017

Lattice instability during phase transformations under multiaxial stress: Modified transformation work criterion

A continuum/atomistic approach for predicting lattice instability during crystal-crystal phase transformations (PTs) is developed for the general loading with an arbitrary stress tensor and large strains. It is based on a synergistic combination of the generalized Landau-type theory for PTs and molecular dynamics (MD) simulations. The continuum approach describes the entire dissipative transformation process in terms of an order parameter, and the general form of the instability criterion is derived utilizing the second law of thermodynamics. The feedback from MD allowed us to present the instability criterion for both direct and reverse PTs in terms of the critical value of the modified transformation work, which is linear in components of the true stress tensor. It was calibrated by MD simulations for direct and reverse PTs between semiconducting silicon Si i and metallic Si ii phases under just two different stress states. Then, it describes hundreds of MD simulations under various combinations of three normal and three shear stresses. Finally, in particular, the atomistic simulations show that the effects of all three shear stresses along cubic axes on lattice instability of Si i are negligible, which is in agreement with our criterion.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Transforming the $v$ World: A New Multivariate Transformer Energy Estimator for NOvA

The NOvA Transformer Energy Estimator (Transformer_EE) is a universal machine learning tool currently used to infer the incoming beam neutrino energy and the outgoing lepton energy in both near andfar detectors. It uses a unique, highly flexible framework for simultaneous multivariate prediction that supports many possible loss functions. A spectral reweighting and flattening scheme lessens training bias. A feature noising subroutine enables adversarial-like training, mitigating sensitivities to certain systematic effects at marginal resolution loss at inference time. The state of the Transformer_EE will be reviewed, and its robustness with respect to several NOvA Near and Far Detector systematics highlighted.

Tong, Leon [Minnesota U.] (ORCID:0000000231625965)↗
NASA NTRS2005

Transformational Spaceport and Range Concept of Operations: A Vision to Transform Ground and Launch Operations

The Transformational Concept of Operations (CONOPS) provides a long-term, sustainable vision for future U.S. space transportation infrastructure and operations. This vision presents an interagency concept, developed cooperatively by the Department of Defense (DoD), the Federal Aviation Administration (FAA), and the National Aeronautics and Space Administration (NASA) for the upgrade, integration, and improved operation of major infrastructure elements of the nation s space access systems. The interagency vision described in the Transformational CONOPS would transform today s space launch infrastructure into a shared system that supports worldwide operations for a variety of users. The system concept is sufficiently flexible and adaptable to support new types of missions for exploration, commercial enterprise, and national security, as well as to endure further into the future when space transportation technology may be sufficiently advanced to enable routine public space travel as part of the global transportation system. The vision for future space transportation operations is based on a system-of-systems architecture that integrates the major elements of the future space transportation system - transportation nodes (spaceports), flight vehicles and payloads, tracking and communications assets, and flight traffic coordination centers - into a transportation network that concurrently accommodates multiple types of mission operators, payloads, and vehicle fleets. This system concept also establishes a common framework for defining a detailed CONOPS for the major elements of the future space transportation system. The resulting set of four CONOPS (see Figure 1 below) describes the common vision for a shared future space transportation system (FSTS) infrastructure from a variety of perspectives.

Source record↗
DOE OSTI2016

Supercontinuum Fourier transform spectrometry with balanced detection on a single photodiode

We demonstrate a method of combining a supercontinuum light source with a commercial Fourier transform spectrometer, using a novel approach to dual-beam balanced detection, implemented with phase-sensitive detection on a single light detector. A 40 dB reduction in the relative intensity noise is achieved for broadband light, analogous to conventional balanced detection methods using two matched photodetectors. Unlike conventional balanced detection, however, this method exploits the time structure of the broadband source to interleave signal and reference pulse trains in the time domain, recording the broadband differential signal at the fundamental pulse repetition frequency of the supercontinuum. The method is capable of real-time correction for instability in the supercontinuum spectral structure over a broad range of wavelengths and is compatible with commercially designed spectrometers. A proof-of-principle experimental setup is demonstrated for weak absorption in the 1500-1600 nm region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Measurement of transformer ratio from ramped beams in the blowout regime

We present the plans for a UCLA-Argonne collaborative plasma wakefield acceleration (PWFA) experiment aimed at demonstrating the dependence of transformer ratio - the relation between maximum acceleration observed in a plasma wake to the maximum deceleration of the driving beam - on beam shape. Utilizing the unique capabilities of the emittance exchange (EEX) beamline, we may obtain transformer ratios in excess of six in a 120 MeV/m PWFA. These experiments are a crucial step in enabling applications ranging from compact X-ray free electron laser (FEL) light sources to TeV-class linear colliders for high energy physics.

Linear↗
DOE OSTI2016

Metastable phase transformation and hcp-ω transformation pathways in Ti and Zr under high hydrostatic pressures

The energy landscape of Zr at high hydrostatic pressure suggests that its transformation behavior is strongly pressure dependent. This is in contrast to the known transition mechanism in Ti, which is essentially independent of hydrostatic pressure. Generalized solid-state nudged elastic band calculations at constant pressure shows that α-Zr transforms like Ti only at the lowest pressure inside the stability field of ω-phase. Different pathways apply at higher pressures where the energy landscape contains several high barriers so that metastable states are expected, including the appearance of a transient bcc phase at ca. 23 GPa. The global driving force for the hcp-ω transition increases strongly with increasing pressure and reaches 23.7 meV/atom at 23 GPa. Much of this energy relates to the excess volume of the hcp phase compared with its ω phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

High-resolution 2-D Bragg diffraction reveal heterogeneous domain transformation behavior in a bulk relaxor ferroelectric

In-situ measurement of fine-structure of neutron Bragg diffraction peaks from a relaxor single-crystal using a time-of-flight instrument reveals highly heterogeneous mesoscale domain transformation behavior under applied electric fields. We observed that only 25% of domains undergo reorienta- tion or phase transition contributing to large average strains, while at least 40% remain invariant and exhibit microstrains. Such insights could be central for designing new relaxor materials with better performance and longevity. The current experimental technique can also be applied to resolve com- plex mesoscale phenomena in other functional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Linear Transformation of the Polarization Modes in Coiled Optical Spun-Fibers with Strong Unperturbed Linear Birefringence. I. Nonresonant Transformation

A linear transformation of orthogonal polarization modes in coiled optical spun-fibers with strong unperturbed linear birefringence, which causes the emergence of the dependences of the integrated elliptical birefringence and the ellipticity and azimuth of the major axis of the ellipse, as well as the polarization state of radiation (PSR), on the length of optical fiber has been considered. Optical spun-fibers are subjected to a strong mechanical twisting, which is frozen into the structure of the optical fiber upon cooling, in the process of being drawn out from the workpiece. Since the values of the local polarization parameters of coiled spunwaveguides vary according to a rather complex law, the calculations were carried out by numerical modeling of the parameters of the Jones matrices. Since the rotation speed of the axes of the birefringence is constant on a relatively short segment of a coiled optical spun-fiber in the accompanying torsion (helical) coordinate system, the so-called “Ginzburg helical polarization modes” (GHPMs)—two mutually orthogonal ellipses with the opposite directions of traversal, the axis of which rotate relative to the fixed coordinate system uniformly and unidirectionally—are approximately the local normal polarization modes of such optical fiber. It has been shown that, despite the fact that the unperturbed linear birefringence of the spun-fibers significantly exceeds the linear birefringence, which is caused by the winding on a coil, the integral birefringence of an extended segment of such a fiber coincides in order of magnitude with the linear birefringence, which is caused by the winding on the coil, and the integral polarization modes tend asymptotically to circular ones. It has been also shown that the values of the circular birefringence of twisted single-mode fibers, which were calculated in a nonrotating and torsion helical coordinate systems, differ significantly. It has been shown that the polarization phenomena occur in the process of linear transformation of local polarization modes, which lead to small quasi-harmonic oscillations of the birefringence integral parameters of the optical spun-fibers, which depend on their length, and the period of these oscillations is approximately equal to half of the effective period of polarization beating.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Modular Hybrid Solid State Transformer (H-SST) for Next Generation Flexible and Adaptable Large Power Transformer (LPT) (Final Technical Report)

A 500 kVA HSST, the world first of such system, has been successfully developed. The HSST has the capability to regulate the power flow of the transmission or distribution power lines, or provide voltage regulation. The HSST design is modular therefore it has the ability to be connected in series of parallel to form a large power transformer with smart controllability. The project has enabled a high TRL level prototype be demonstrated at University of Texas at Austin which can lead to additional commercialization and demonstration opportunities. A large number of students were trained under this program that will benefit the power grid industry. A number of publications are published at well known international conferences and journals, further accomplish the mission of knowledge development and dissemination.

24 POWER TRANSMISSION AND DISTRIBUTION↗