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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Rapid Patterning and Advanced Device Structures for Low Cost Manufacturable Crystalline Si IBC Cells

Recent record efficiency Si cells have had an interdigitated back contact (IBC) design where both positive and negative contacts are fabricated on the back side of the Si wafer. Many industry groups have investigated IBC cells but used photolithography to pattern the rear contacts although it is considered impractical for low cost, high volume manufacturing. Alternative patterning methods using lasers and mechanical masking have been utilized in fabrication of patterned regions in IBC Si solar cells to replace photolithography. Another exciting advance in Si solar cell technology has been replacing the high temperature diffusion of doped regions inside the crystalline Si wafer with low temperature deposition of very thin layers of doped amorphous hydrogenated Si (a-Si:H) on the Si wafer. This is called a Si heterojunction (HJ) device. The a-Si:H provides excellent passivation of surface defects and has produced the highest open circuit voltages (VOC) of any Si solar cell device structure. The Institute of Energy Conversion (IEC) demonstrated the first IBC-HJ solar cell combining these two strategies in 2007 and has fabricated IBC-HJ cells with 20% efficiency using three photolithography steps. Despite the demonstrated efficiency potential of this device by industry groups (>26%) there is no commercial production because of the challenges of patterning and processing the structure in an industrial environment. Our work sought to address that challenge. The objective of this 3 year project was to develop the processing for the IBC-HJ Si solar cell using lasers for patterning and contact formation instead of photolithography. Laser patterning enables rapid, contactless manufacturing of patterned regions. We intensively studied laser fired contacts, laser patterning of the a-Si multi-layer stacks and metal layers and the use of plasma shadow masks. After an exhaustive focus in the first year on the laser fired emitter (LFE) and contact (LFC), we were unable to achieve VOC greater than 660 mV, compared to the 720 mV required to meet our milestones. We discovered that an additional issue with our original IBC structure was the presence of an inversion layer at the back surface connecting the p and n regions which reduced the VOC and fill factor (FF). We developed innovative methods for characterizing the inversion layer. These two limitations in the original design lead to development of a new IBC-HJ process sequence and device structure which we called Plasma Masked Laser Processed (PMLP). It retained the original high efficiency features including manufacturability. The LFC was replaced with a standard n-type a-Si HJ contact. The inversion layer was eliminated by replacing the previous p-type stack in the gap with an n-type or SiN stack. The PMLP used laser ablation of a multi-layer a-Si stack followed by chemical etching to open the n-contact. It required deposition of a patterned stack through a mask in the plasma deposition chamber. This turned out to be a source of significant problems due to inevitable unwanted deposition ‘leakage’ under the mask. This formed a blocking contact on the emitter which significantly reduced Voc and FF. Several iterations in PMLP device structure and chemical etching steps resulted in a large improvements, e.g. the efficiency increasing from 3 to 15% and Voc from 450 to 660 mV but they were unable to completely eliminate it. The best IBC-HJ device we fabricated had only 15% efficiency. For perspective, our standard FHJ devices had 20% efficiency.

14 SOLAR ENERGY↗
DOE OSTI2026

Intertwined Polar, Chiral, and Ferro-Rotational Orders in a Homo-Ferro-Rotational Insulator

Intertwined orders refer to strongly coupled and mutually dependent orders that coexist in correlated electron systems, often underpinning key physical properties of the host materials. Among them, polar, chiral, and ferro-rotational orders have been theoretically known to form a closed set of intertwined orders. However, experimental investigation into their mutual coupling and physical consequences has remained elusive. In this work, we employ the polar-chiral insulator Ni 3 ⁢TeO 6 as a platform and utilize a multimodal optical approach to directly probe and reveal the intertwining among polarity, chirality, and ferro-rotational order. We demonstrate how their coupling governs the formation of domains and dictates the nature of domain walls. Within the domains, we identify spatial inversion symmetry as the operation connecting two domain states of opposite polarity and chirality, with a homo-ferro-rotational state serving as the prerequisite for these interlocked configurations. At the domain walls, we observe a pronounced enhancement of in-plane polarization accompanied by a suppression of chirality. By combining with Ginzburg-Landau theory within the framework of a preexisting homo-ferro-rotational background, we uncover the emergence of mixed Néel- and Bloch-type domain walls. Our findings highlight the critical role of intertwined orders in defining domain and domain-wall characteristics and open pathways for domain switching and domain-wall control via intertwined order parameters.

Zhang, Weizhe [University of Michigan, Ann Arbor, ↗
NASA NTRS2007

Symmetry, Statistics and Structure in MHD Turbulence

Here, we examine homogeneous MHD turbulence in terms of truncated Fourier series. The ideal MHD equations and the associated statistical theory of absolute equilibrium ensembles are symmetric under P, C and T. However, the presence of invariant helicities, which are pseudoscalars under P and C, dynamically breaks this symmetry. This occurs because the surface of constant energy in phase space has disjoint parts, called components: while ensemble averages are taken over all components, a dynamical phase trajectory is confined to only one component. As the Birkhoff-Khinchin theorem tells us, ideal MHD turbulence is thus non-ergodic. This non-ergodicity manifests itself in low-wave number Fourier modes that have large mean values (while absolute ensemble theory predicts mean values of zero). Therefore, we have coherent structure in ideal MHD turbulence. The level of non-ergodicity and amount of energy contained in the associated coherent structure depends on the values of the helicities, as well as on the presence, or not, of a mean magnetic field and/or overall rotation. In addition to the well known cross and magnetic helicities, we also present a new invariant, which we call the parallel helicity, since it occurs when mean field and rotation axis are aligned. The question of applicability of these results to real (i.e., dissipative) MHD turbulence is also examined. Several long-time numerical simulations on a 64(exp 3) grid are given as examples. It is seen that coherent structure begins to form before decay dominates over nonlinearity. The connection of these results with inverse spectral cascades, selective decay, and magnetic dynamos is also discussed.

Shebalin, John V.↗
DOE OSTI2020

The Sensitivity of Joint Inversions of Seismic and Geodynamic Data to Mantle Viscosity

Seismic tomography has revealed the existence of large-scale velocity heterogeneities in the mantle. The interpretation of seismic velocity anomalies in terms of temperature and chemical composition is nonunique. We use geodynamic observations including gravity, plate motions, dynamic topography, and excess ellipticity of the core-mantle boundary combined with seismic observations to investigate the thermo-chemical structure of the mantle through joint inversions. An outstanding issue, however, is the physical connection between mantle density anomalies and the surface geodynamic observations, which requires knowledge of the mantle viscosity structure. Here we perform joint inversions assuming different viscosity profiles and examine the dependence of the results on the viscosity. We first assume that mantle heterogeneity is due to thermal variations, which places a constraint on the relation between seismic velocity and density, and we subsequently relax the constraint to allow for potential nonthermal effects. In all of our joint inversions, a nonthermal origin of density anomalies is required to explain the geodynamic data, though the amount varies with the assumed viscosity structure. A common observation is a high-density chemical signal in the center of the large low-shear-velocity provinces at the base of the mantle resulting in a near neutral or slightly dense overall buoyancy there. Using the derived density models and their corresponding viscosity profiles, we also calculate instantaneous mantle flow fields. The predicted flow fields derived from joint inversions are generally similar but are quite different from flow fields using density models derived from a posteriori scaling of pure seismic tomography models.

58 GEOSCIENCES↗
DOE OSTI2021

A unified theory of zonal flow shears and density corrugations in drift wave turbulence

A unified theory of zonal flow shears and density corrugations in drift wave turbulence is presented. Polarization and density advection beat excitation are studied in combination with modulational response. Noise is driven by two-time flux correlation. While the effective zonal flow eddy viscosity can go negative, the zonal diffusivity is positive definite. There is no inverse cascade of density corrugation. The connection between avalanches and corrugations is discussed. Here, the zonal cross-correlation is identified and calculated. Conditions for alignment of zonal shears and corrugation gradients are determined, and the implications for staircase structure are discussed. We show that the synergy of beat noise and modulational effects is stronger than either alone. Strong zonal flows can be excited well below the modulational instability threshold. In the context of L–H transition, zonal noise quenches turbulence overshoot by eliminating the threshold for zonal flow excitation. The power threshold for L–H transition is lowered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

Analyzing rocket plume spectral data with neural networks

The Optical Plume Anomaly Detection (OPAD) system is under development to provide early-warning failure detection in support of ground-level testing of the Space Shuttle Main Engine (SSME). Failure detection is to be achieved through the acquisition of spectrally resolved plume emissions and subsequent identification of abnormal levels indicative of engine corrosion or component failure. Two computer codes (one linear and the other non-linear) are used by the OPAD system to iteratively determine specific element concentrations in the SSME plume, given emission intensity and wavelength information. Since this analysis is extremely labor intensive, a study was initiated to develop neural networks that would model the 'inverse' of these computer codes. Optimally connected feed-forward networks with imperceptible prediction error have been developed for each element modeled by the linear code, SPECTRA4. Radial basis function networks were developed for the non-linear code, SPECTRA5, and predict combustion temperature in addition to element concentrations.

Whitaker, Kevin W.↗
NASA NTRS1994

Miniature, Cooled Pressure-Measuring Probe

Probe designed to reduce settling time dramatically. Pressure-sensing transducer mounted in probe and connected to tip by short tube having cross-sectional area substantially smaller than conventional connecting tubes. Probe includes stainless-steel cylindrical exterior housing holding closed pressure chamber in which piezoelectric pressure transducer mounted. Open connecting tube passes portion of high-velocity, high-temperature fluid stream into closed pressure chamber. Any change of pressure in sampled stream propagates into closed pressure chamber with settling time inversely proportional to cross-sectional area of connecting tube. Cooling chamber formed around pressure chamber connected to source of water or other cooling fluid via inlet and outlet tubes.

Ashby, George C., Jr.↗
NASA NTRS1992

Element-topology-independent preconditioners for parallel finite element computations

A family of preconditioners for the solution of finite element equations are presented, which are element-topology independent and thus can be applicable to element order-free parallel computations. A key feature of the present preconditioners is the repeated use of element connectivity matrices and their left and right inverses. The properties and performance of the present preconditioners are demonstrated via beam and two-dimensional finite element matrices for implicit time integration computations.

Park, K. C.↗
DOE OSTI2020

Ab initio multishell valence-space Hamiltonians and the island of inversion

In the shell-model framework, valence-space Hamiltonians connecting multiple major-oscillator shells are of key interest for investigating the physics of neutron-rich nuclei, which have been the subject of intense experimental activity for decades. Here we present an extension of the ab initio valence-space in-medium similarity renormalization group, which allows the derivation of such Hamiltonians nonperturbatively. Starting from initial two- and three-nucleon forces from chiral effective field theory, we then calculate properties of nuclei in the important island-of-inversion region above oxygen, so far unexplored with ab initio methods. In this work, our results in the neon and magnesium isotopes indicate the importance of neutron excitation from the $\textit{sd}$ to $\textit{pf}$ shells and ground states dominated by intruder configurations around $\textit{N}$ = 20, consistent with the conclusions from phenomenological studies. We also benchmark the excitation spectrum of 16 O with coupled-cluster theory, finding generally good agreement, and discuss implications for ground-state energies and charge radii in oxygen and calcium isotopes. Finally we outline the proper procedure for treating the longstanding issue of center-of-mass contamination, and show that with a particular choice of valence space, these spurious states can be removed successfully.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

$\mathrm{IH}$-$\mathrm{GAN}$: A conditional generative model for implicit surface-based inverse design of cellular structures

Variable-density cellular structures can overcome connectivity and manufacturability issues of topologically optimized structures, particularly those represented as discrete density maps. However, the optimization of such cellular structures is challenging due to the multiscale design problem. Past work addressing this problem generally either only optimizes the volume fraction of single-type unit cells but ignoring the effects of unit cell geometry on properties, or considers the geometry–property relation but builds this relation via heuristics. In contrast, we propose a simple yet more principled way to accurately model the property to geometry mapping using a conditional deep generative model, named Inverse Homogenization Generative Adversarial Network (IH-GAN). It learns the conditional distribution of unit cell geometries given properties and can realize the one-to-many mapping from properties to geometries. Here we further reduce the complexity of IH-GAN by using the implicit function parameterization to represent unit cell geometries. Results show that our method can 1) generate various unit cells that satisfy given material properties with high accuracy (R 2 -scores between target properties and properties of generated unit cells >98%) and 2) improve the optimized structural performance over the conventional variable-density single-type structure. In the minimum compliance example, our IH-GAN generated structure achieves a 79.7% reduction in concentrated stress and an extra 3.03% reduction in displacement. In the target deformation examples, our IH-GAN generated structure reduces the target matching error by 86.4% and 79.6% for two test cases, respectively. We also demonstrated that the connectivity issue for multi-type unit cells can be solved by transition layer blending.

42 ENGINEERING↗
DOE OSTI2024

Medium-Range Structural Order as the Driver of Activated Dynamics and Complexity Reduction in Glass-Forming Liquids

Here, we analyze in depth the Elastically Collective Nonlinear Langevin Equation theory of activated dynamics in metastable liquids to establish that the predicted inter-relationships between the alpha relaxation time, local cage and collective elastic barriers, dynamic localization length, and shear modulus are causally related within the theory to the medium range order (MRO) static correlation length. The latter grows exponentially with density for metastable hard sphere fluids and as a nonuniversal inverse power law with temperature for supercooled liquids under isobaric conditions. The physical origin of predicted connections between the alpha time and other metrics of cage order and the thermodynamic inverse dimensionless compressibility is fully established. It is discovered that although kinetic constraints from the real space first coordination shell are important for the alpha time, they are of secondary importance compared to the consequences of the more universal MRO correlations in both the modestly and deeply metastable regimes. This understanding sheds new light on the theoretical basis for, and prior successes of, the predictive mapping of chemically complex thermal liquids to effective hard sphere fluids based on matching their dimensionless compressibilities, a scheme we call “complexity reduction”. In essence, the latter is equivalent to the physical requirement that the thermal liquid MRO correlation equals that of its effective hard sphere analog. The mapping alone is shown to provide a remarkable level of quantitative predictive power for the glass transition temperature T g of 21 molecular and polymer liquids. Predictions for the chemically specific absolute magnitude and growth with cooling of the MRO correlation length are obtained and lie in the window of 2–6 nm at T g . Dynamic heterogeneity, elastic facilitation, and beyond pair structure issues are briefly discussed. Future opportunities to theoretically analyze the equilibrated deep glass regime are outlined.

cancer↗
NASA NTRS2018

A Singular Value Decomposition Framework for Retrievals with Vertical Distribution Information from Greenhouse Gas Column Absorption Spectroscopy Measurements

We review the singular value decomposition (SVD) framework and use it for quantifying and discerning vertical information in greenhouse gas retrievals from column integrated absorption measurements. While the commonly used traditional Bayesian optimal estimation (OE) assumes a prior distribution in order to regularize the inversion problem, the SVD approach identifies principal components that can be retrieved from the measurement without explicitly specifying a prior mean and prior covariance matrix. We review the SVD method, explicitly recognize the use of an uninformative prior and show it to incur no bias from the choice of the prior. We also make the connection between the SVD method and the pseudo-inverse, which makes it more intuitive and easy to understand. We illustrate the use of the SVD method on an integrated path differential absorption CO2 lidar measurement model and verify our derivations and bias-free properties versus optimal estimation using numerical simulations. In contrast, traditional OE retrievals exhibit bias when the prior mean used in the retrieval differs from the true mean. Hence, the SVD method is particularly useful for situations in which knowledge of the prior mean and prior covariance of the true state (e.g., greenhouse gas profiles) is inadequate.

Ramanathan, Anand K.↗
DOE OSTI2025

Optical Activity of Chiral Excitons

Recent activity in the area of chiroptical phenomena has been focused on the connection between structural asymmetry, electron spin configuration and light/matter interactions in chiral semiconductors. In these systems, spin‐splitting phenomena emerge due to inversion symmetry breaking and the presence of extended electronic states, yet the connection to chiroptical phenomena is lacking. Here, in this study, we develop an analytical effective mass model of chiral excitons, parameterized by density functional theory. The model accounts for parity mixing of the band edge Bloch functions resulting from polar distortions, resulting in allowed magnetic dipole transitions. Through the study of a prototypical chiral 2D hybrid perovskite semiconductor, we show that circular dichroism of the chiral exciton and its interband continuum emerges from spin‐splitting via cross‐coupling of Rashba‐like and chiral/helical spin‐texture components. To demonstrate the generality of our approach, and as a counterpoint, we apply our model to describe chiroptical properties of three‐dimensionally confined excitons in perovskite nanocrystals that occur without chiral lattice distortions.

14 SOLAR ENERGY↗
NASA NTRS1977

Some aspects of the inversion problem in remote sensing

Several commonly used methods for inversion--constrained linear inversion, synthesis (Backus-Gilbert) methods and nonlinear iterative techniques for the Chahine type--are discussed. It is demonstrated that a very close connection exists between Backus-Gilbert solutions and those given by constrained linear inversion. A number of examples of the application of such methods are presented, showing that resolution is not greatly different for quite different algorithms, a result quite in accord with general theoretical considerations: more resolution can be achieved at the expense of introducing greater a priori bias in the procedure.

Twomey, S.↗
DOE OSTI2024

Scientific machine learning for closure models in multiscale problems: A review

Here, closure problems are omnipresent when simulating multiscale systems, where some quantities and processes cannot be fully prescribed despite their effects on the simulation's accuracy. Recently, scientific machine learning approaches have been proposed as a way to tackle the closure problem, combining traditional (physics-based) modeling with data-driven (machine-learned) techniques, typically through enriching differential equations with neural networks. This paper reviews the different reduced model forms, distinguished by the degree to which they include known physics, and the different objectives of a priori and a posteriori learning. The importance of adhering to physical laws (such as symmetries and conservation laws) in choosing the reduced model form and choosing the learning method is discussed. The effect of spatial and temporal discretization and recent trends toward discretization-invariant models are reviewed. In addition, we make the connections between closure problems and several other research disciplines: inverse problems, Mori-Zwanzig theory, and multi-fidelity methods. In conclusion, much progress has been made with scientific machine learning approaches for solving closure problems, but many challenges remain. In particular, the generalizability and interpretability of learned models is a major issue that needs to be addressed further.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

On an origin of numerical diffusion: Violation of invariance under space-time inversion

The invariant properties of the convection equation du/dt + adu/dx = 0 (where d is the partial differential operator) with respect to spatial reflection, time reversal, and space-time inversion are studied. Generally, a finite-difference analog of this equation may possess some or none of these properties. It is shown that, under certain conditions, the von Neumann amplification factor of an analog satisfies a special relation for each invariant property this analog possesses. Particularly, an analog is neutrally stable and thus free of numerical diffusion if it possesses the invariant property related to space-time inversion. It is also explained why generally (1) an upwind scheme possesses neither the invariant property related to spatial reflection nor that related to space-time inversion, and (2) an explicit scheme possesses neither the invariant property related to time reversal nor that related to space-time inversion. Extension to the viscous case and a remarkable connection between the current work and a new numerical framework for solving conservation laws are also discussed.

Chang, Sin-Chung↗
NASA NTRS1994

Nonresonant interaction of ultrashort electromagnetic pulses with multilevel quantum systems

Some features of the excitation of multilevel quantum systems under the action of electromagnetic pulses which are shorter than the inverse frequency of interlevel transitions are considered. It is shown that the interaction is characterized by a specific type of selectivity which is not connected with the resonant absorption of radiation. The simplest three-level model displays the inverse population of upper levels. The effect of an ultrashort laser pulse on a multilevel molecule was regarded as an instant reception of the oscillation velocity by the oscillator and this approach showed an effective excitation and dissociation of the molecule. The estimations testify to the fact that these effects can be observed using modern femtosecond lasers.

Belenov, E.↗