Search NASA⌕ Search

SEARCH · Search NASA

Results for “transformations”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Acoustic cloaking: Geometric transform, homogenization and a genetic algorithm

A general process is proposed to experimentally design anisotropic inhomogeneous metamaterials obtained through a change of coordinates in the Helmholtz equation. The method is applied to the case of a cylindrical transformation that allows cloaking to be performed. To approximate such complex metamaterials we apply results of the theory of homogenization and combine them with a genetic algorithm. To illustrate the power of our approach, we design three types of cloaks composed of isotropic concentric layers structured with three types of perforations: curved rectangles, split rings and crosses. These cloaks have parameters compatible with existing technology and they mimic the behavior of the transformed material. Numerical simulations have been performed to qualitatively and quantitatively study the cloaking efficiency of these metamaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

High-performance formamidinium-based perovskite solar cells via microstructure-mediated δ-to-α phase transformation

The δ → α phase transformation is a crucial step in the solution-growth process of formamidinium-based lead triiodide (FAPbI 3 ) hybrid organic–inorganic perovskite (HOIP) thin films for perovskite solar cells (PSCs). Because the addition of cesium (Cs) stabilizes the α phase of FAPbI 3 -based HOIPs, here our research focuses on FAPbI 3 (Cs) thin films. We show that having a large grain size in the δ-FAPbI 3 (Cs) non-perovskite intermediate films is essential for the growth of high-quality α-FAPbI 3 (Cs) HOIP thin films. Here grain coarsening and phase transformation occur simultaneously during the thermal annealing step. A large starting grain size in the δ-FAPbI 3 (Cs) thin films suppresses grain coarsening, precluding the formation of voids at the final α-FAPbI 3 (Cs)–substrate interfaces. PSCs based on the interface void-free α-FAPbI 3 (Cs) HOIP thin films are much more efficient and stable in the ambient atmosphere. This interesting finding inspired us to develop a simple room-temperature aging method for preparing coarse-grained δ-FAPbI 3 (Cs) intermediate films, which are subsequently converted to coarse-grained, high-quality α-FAPbI 3 (Cs) HOIP thin films. As a result, this study highlights the importance of microstructure meditation in the processing of formamidinium-based PSCs.

14 SOLAR ENERGY↗
DOE OSTI2016

Efficient Temperature-Dependent Green’s Functions Methods for Realistic Systems: Compact Grids for Orthogonal Polynomial Transforms

The Matsubara Green’s function that is used to describe temperature-dependent behavior is expressed on a numerical grid. While such a grid usually has a couple of hundred points for low-energy model systems, for realistic systems with large basis sets the size of an accurate grid can be tens of thousands of points, constituting a severe computational and memory bottleneck. In this paper, we determine efficient imaginary time grids for the temperature-dependent Matsubara Green’s function formalism that can be used for calculations on realistic systems. Here we show that, because of the use of an orthogonal polynomial transform, we can restrict the imaginary time grid to a few hundred points and reach micro-Hartree accuracy in the electronic energy evaluation. Moreover, we show that only a limited number of orthogonal polynomial expansion coefficients are necessary to preserve accuracy when working with a dual representation of the Green’s function or self-energy and transforming between the imaginary time and frequency domain.

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

High Pressure Induced in Situ Solid-State Phase Transformation of Nonepitaxial Grown Metal@Semiconductor Nanocrystals

Considering the large lattice mismatch induced interface strain between nonepitaxial grown monocrystalline semiconductor shell and metal core, we studied the solid-state phase transformation of such nonepitaxial grown Au@CdS core/shell NCs under high pressure in this paper. Consistent with HRTEM characterizations, the high resolution Raman spectra and synchrotron angle-dispersive X-ray diffraction (ADXRD) spectra evolution were utilized to investigate the hydrostatic pressure (0–24 GPa) induced gradual phase transformation. Here, due to the strong lattice interactions between Au core and CdS shell, the different behavior and improved stability under high pressure appeared compared to single quantum dots (QDs).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Self-Assembled Periodic Nanostructures Using Martensitic Phase Transformations

We describe a novel approach for the rational design and synthesis of self-assembled periodic nanostructures using martensitic phase transformations. We demonstrate this approach in a thin film of perovskite SrSnO 3 with reconfigurable periodic nanostructures consisting of regularly spaced regions of sharply contrasted dielectric properties. The films can be designed to have different periodicities and relative phase fractions via chemical doping or strain engineering. The dielectric contrast within a single film can be tuned using temperature and laser wavelength, effectively creating a variable photonic crystal. Our results show the realistic possibility of designing large-area self-assembled periodic structures using martensitic phase transformations with the potential of implementing "built-to-order" nanostructures for tailored optoelectronic functionalities.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Exsolution-Driven Surface Transformation in the Host Oxide

Exsolution synthesizes self-assembled metal nanoparticle catalysts via phase precipitation. An overlooked aspect in this method thus far is how exsolution affects the host oxide surface chemistry and structure. Such information is critical as the oxide itself can also contribute to the overall catalytic activity. Here, combining X-ray and electron probes, we investigated the surface transformation of thin-film SrTi 0.65 Fe 0.35 O 3 during Fe 0 exsolution. We found that exsolution generates a highly Fe-deficient near-surface layer of about 2 nm thick. Moreover, the originally single-crystalline oxide near-surface region became partially polycrystalline after exsolution. Such drastic transformations at the surface of the oxide are important because the exsolution-induced nonstoichiometry and grain boundaries can alter the oxide ion transport and oxygen exchange kinetics and, hence, the catalytic activity toward water splitting or hydrogen oxidation reactions. These findings highlight the need to consider the exsolved oxide surface, in addition to the metal nanoparticles, in designing the exsolved nanocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Theoretical Insights into Reaction-Induced Transformation and Tuning of Catalytic Behavior in Heterogenous Catalysis

Reaction-induced transformations in heterogenous catalysis represent diverse phenomena that challenge traditional views of static catalyst surfaces. From surface adsorbate dynamics, atomic rearrangements, to composition and phase transitions, these processes reveal the profound differences between idealized model systems under ultrahigh vacuum and the complex, evolving interfaces that govern real catalytic behaviors under reaction conditions. Here, this perspective reviews recent theoretical efforts to provide atomic-level mechanistic insights into significant reaction-induced transformations and their impact on catalytic activity and selectivity. It underscores the need for an integrated framework that combines predictive simulations with operando characterization to uncover active sites and mechanisms under realistic operating conditions. Achieving this requires accelerating existing simulations to fully capture diverse reaction-induced surface dynamics, enabling scalable and accurate modeling of catalysts as condition-dependent, dynamically evolving systems. Such approaches are critical to bridge the gap between theory and practice, offering a pathway to more impactful and predictive catalyst design.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Real-Time In Situ Observation of CsPbBr 3 Perovskite Nanoplatelets Transforming into Nanosheets

The manipulation of nano-objects through heating is an effective strategy for inducing structural modifications and therefore changing the optoelectronic properties of semiconducting materials. Despite its potential, the underlying mechanism of the structural transformations remains elusive, largely due to the challenges associated with their in situ observations. To address these issues, we synthesize temperature-sensitive CsPbBr 3 perovskite nanoplatelets and investigate their structural evolution at the nanoscale using in situ heating transmission electron microscopy. We observe the morphological changes that start from the self-assembly of the nanoplatelets into ribbons on a substrate. We identify several paths of merging nanoplates within ribbons that ultimately lead to the formation of nanosheets dispersed randomly on the substrate. These observations are supported by molecular dynamics simulations. We correlate the various paths for merging to the random orientation of the initial ribbons along with the ligand mobility (especially from the edges of the nanoplatelets). This leads to the preferential growth of individual nanosheets and the merging of neighboring ones. These processes enable the creation of structures with tunable emission, ranging from blue to green, all from a single material. Our real-time observations of the transformation of perovskite 2D nanocrystals reveal a route to achieve large-area nanosheets by controlling the initial orientation of the self-assembled objects with potential for large-scale applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Transformation of Sulfur Species during Steam/Air Regeneration on a Ni Biomass Conditioning Catalyst

Sulfur K-edge XANES identified transformation of sulfides to sulfates during combined steam and air regeneration on a Ni/Mg/K/Al2O3 catalyst used to condition biomass-derived syngas. This catalyst was tested over multiple reaction/regeneration/reduction cycles. Postreaction catalysts showed the presence of sulfides on H2S-poisoned sites. Although H2S was observed to leave the catalyst bed during regeneration, sulfur remained on the catalyst, and a transformation from sulfides to sulfates was observed. Following the oxidative regeneration, the subsequent H2 reduction led to a partial reduction of sulfates back to sulfides, indicating the difficulty and sensitivity in achieving complete sulfur removal during regeneration for biomass-conditioning catalysts.

09 BIOMASS FUELS↗
DOE OSTI2012

Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations

Flexible anionic metal-organic frameworks transform to neutral heterobimetallic systems via single-crystal-to-single-crystal processes invoked by cation insertion. These transformations are directed by cooperative bond breakage and formation, resulting in expansion or contraction of the 3D framework by up to 33% due to the flexible nature of the organic linker. These MOFs displays highly selective uptake of divalent transition metal cations (Co2+ and Ni2+ for example) over alkali metal cations (Li+ and Na+).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Pressure induced irreversible phase transformation in an ordered high-entropy alloy

We report on a pressure induced irreversible phase transformation in an ordered eutectic high-entropy alloy (EHEA) AlCoCrFeNi2.1. The suction cast sample was synthesized by arc melting of raw elements resulting in an ordered B2 and FCC phase mixture for eutectic AlCoCrFeNi2.1 alloy. This phase mixture was confirmed by transmission electron microscopy (TEM) where superlattice reflections corresponding to ordered B2 phase were observed while the FCC phase remains disordered. The B2 phase was observed to be enriched in Nickel and Aluminum while the surrounding FCC phase is enriched in Fe, Cr and Co. The suction-cast EHEA sample was studied by X-ray diffraction under high pressure in a diamond anvil cell with platinum pressure marker to 73 GPa at ambient temperature. The B2 to FCC phase transformation is completed by 3 GPa in sharp contrast to BCC to FCC phase transition of 21 GPa in additively manufactured EHEA samples. The X-ray diffraction and TEM studies of pressure recovered samples show presence of only FCC grains without any specific orientation with respect to starting sample. These results are consistent with molecular dynamics simulations that the presence of B2 phase aids in the formation of the B2 to FCC phase transition under high pressures.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Thermal Stability and Phase Transformation of Electrochemically Charged/Discharged LiMnPO4 Cathode for Li-Ion Battery

Electrochemically active LiMnPO4 nanoplate at lithiated/delithiated state were subjected to thermal stability and phase transformation evaluate for safety as a cathode material for Li-ion battery. The phase transformation and oxygen evolution temperature on the delithiated MnPO4 were characterized using in-situ hot-stage X-ray diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), thermogravimetric - differential scanning calorimetry - mass spectroscopy (TGA-DSC-MS), transmission electron microscopy and scanning electron microscopy (SEM) - energy dispersive X-ray analysis (EDAX).

25 ENERGY STORAGE↗
DOE OSTI2019

In situ transformation of hydraulic fracturing surfactants from well injection to produced water

Chemical changes to hydraulic fracturing fluids (HFFs) within fractured unconventional reservoirs may affect hydrocarbon recovery and, in turn, the environmental impact of unconventional oil and gas development. Ethoxylated alcohol surfactants, which include alkyl ethoxylates (AEOs) and polyethylene glycols (PEGs), are often present in HFF as solvents, non-emulsifiers, and corrosion inhibitors. We present detailed analysis of polyethoxylates in HFF at the time of injection into three hydraulically fractured Marcellus Shale wells and in the produced water returning to the surface. Despite the addition of AEOs to the injection fluid during almost all stages, they were rarely detected in the produced water. Conversely, while PEGs were nearly absent in the injection fluid, they were the dominant constituents in the produced water. Similar numbers of ethoxylate units support downhole transformation of AEOs to PEGs through central cleavage of the ethoxylate chain from the alkyl group. We also observed a decrease in the average ethoxylate (EO) number of the PEG–EOs in the produced water over time, consistent with biodegradation during production. Our results elucidate an overlooked surfactant transformation pathway that may affect the efficacy of HFF to maximize oil and gas recovery from unconventional shale reservoirs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Universal vertex-IRF transformation for quantum affine algebras

We construct a universal solution of the generalized coboundary equation in the case of quantum affine algebras, which is an extension of our previous work to U{sub q}(A{sub r}{sup (1)}). This universal solution has a simple Gauss decomposition which is constructed using Sevostyanov's characters of twisted quantum Borel algebras. We show that in the evaluation representations it gives a vertex-face transformation between a vertex type solution and a face type solution of the quantum dynamical Yang-Baxter equation. In particular, in the evaluation representation of U{sub q}(A{sub 1}{sup (1)}), it gives Baxter's well-known transformation between the 8-vertex model and the interaction-round-faces (IRF) height model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

High transformer ratio drive beams for wakefield accelerator studies

For wakefield based acceleration schemes, use of an asymmetric (or linearly ramped) drive bunch current profile has been predicted to enhance the transformer ratio and generate large accelerating wakes. We discuss plans and initial results for producing such bunches using the 20 to 23 GeV electron beam at the FACET facility at SLAC National Accelerator Laboratory and sending them through plasmas and dielectric tubes to generate transformer ratios greater than 2 (the limit for symmetric bunches). The scheme proposed utilizes the final FACET chicane compressor and transverse collimation to shape the longitudinal phase space of the beam.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Quantization maps, algebra representation, and non-commutative Fourier transform for Lie groups

The phase space given by the cotangent bundle of a Lie group appears in the context of several models for physical systems. A representation for the quantum system in terms of non-commutative functions on the (dual) Lie algebra, and a generalized notion of (non-commutative) Fourier transform, different from standard harmonic analysis, has been recently developed, and found several applications, especially in the quantum gravity literature. We show that this algebra representation can be defined on the sole basis of a quantization map of the classical Poisson algebra, and identify the conditions for its existence. In particular, the corresponding non-commutative star-product carried by this representation is obtained directly from the quantization map via deformation quantization. We then clarify under which conditions a unitary intertwiner between such algebra representation and the usual group representation can be constructed giving rise to the non-commutative plane waves and consequently, the non-commutative Fourier transform. The compact groups U(1) and SU(2) are considered for different choices of quantization maps, such as the symmetric and the Duflo map, and we exhibit the corresponding star-products, algebra representations, and non-commutative plane waves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A study on the maximum power transfer condition in an inductively coupled plasma using transformer circuit model

Correlations between the external discharge parameters (the driving frequency ω and the chamber dimension R) and plasma characteristics (the skin depth δ and the electron-neutral collision frequency ν{sub m}) are studied using the transformer circuit model [R. B. Piejak et al., Plasma Sources Sci. Technol. 1, 179 (1992)] when the absorbed power is maximized in an inductively coupled plasma. From the analysis of the transformer circuit model, the maximum power transfer conditions, which depend on the external discharge parameters and the internal plasma characteristics, were obtained. It was found that a maximum power transfer occurs when δ≈0.38R for the discharge condition at which ν{sub m}/ω≪1, while it occurs when δ≈√(2)√(ω/ν{sub m})R for the discharge condition at which ν{sub m}/ω≫1. The results of this circuit analysis are consistent with the stable last inductive mode region of an inductive-to-capacitive mode transition [Lee and Chung, Phys. Plasmas 13, 063510 (2006)], which was theoretically derived from Maxwell's equations. Our results were also in agreement with the experimental results. From this work, we demonstrate that a simple circuit analysis can be applied to explain complex physical phenomena to a certain extent.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

The coordinate transformation method for design of polarizers on HL-2A electron cyclotron resonance heating and current drive systems

Polarizers are widely used to change the polarization of millimeter waves on the electron cyclotron resonance heating and current drive (ECRH and CD) systems. A new method based on the coordinate transformation and the Fourier expansion (the so-called C-method) has been developed for design of polarizers on the HL-2A ECRH and CD systems. This method transforms the grating problem to an eigenvalue problem, making it easy and clear to understand and solve. The comparison between the C-method, the integral method, and the low power test results is presented. It indicates that the C-method can be considered as a rigorous numerical method for the design of polarizers. Finally, two polarizers were designed based on the C-method which can be used together to achieve almost arbitrary polarization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗