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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Temperature dependence of gamma-gamma prime lattice mismatch in nickel-base superalloys

High temperature X-ray diffraction techniques were used to determine the gamma-gamma prime lattice mismatch of three different nickel-base superalloys at temperatures between 18 and 1000 C. The measurements were performed on oriented single-crystal disks which had been aged to produce a semicoherent gamma-gamma prime structure. The thermal expansion of the lattice parameters of the gamma and gamma-prime phases was described by a second-order polynomial expression. The expansion of the gamma-prime phase was consistently smaller than that of the gamma phase, which caused the lattice mismatch to become more negative at higher temperatures. It was also shown that high values of lattice mismatch resulted in increased rates of directional gamma-prime coarsening during elevated temperature creep exposure.

Nathal, M. V.↗
NASA NTRS1997

The Effects of Composition and gamma'/gamma Lattice Parameter Mismatch on the Critical Resolved Shear Stresses for Octahedral and Cube Slip in NiAlCrX Alloys

Prototypical single-crystal NiAlCrX superalloys were studied to examine the effects of the common major alloying elements, Co, Mo, Nb, Ta, Ti, and W, on yielding behavior. The alloys contained about 10 at. pct Cr, 60 vol pct of the gamma' phase, and about 3 at. pct of X in the gamma'. The critical resolved shear stresses (CRSSs) for octahedral and primary cube slip were measured at 760 C, which is about the peak strength temperature. The CRSS(sub oct) and CRSS(sub cube) are discussed in relation to those of Ni, (Al, X) gamma' alloys taken from the literature and the gamma'/gamma lattice mismatch. The CRSS(sub oct) of the gamma + gamma' alloys reflected a similar compositional dependence to that of both the CRSS(sub cube) of the gamma' phase and the gamma'/gamma lattice parameter mismatch. The CRSS(sub cube) of the gamma + gamma' alloys also reflected the compositional dependence of the gamma'/gamma mismatch, but bore no similarity to that of CRSS(sub cube) for gamma' alloys since it is controlled by the gamma matrix. The ratio of CRSS(sub cube)/CRSS(sub oct) was decreased by all alloying elements except Co, which increased the ratio. The decrease in CRSS(sub cube)/CRSS(sub oct) was related to the degree in which elements partition to the gamma' rather than the gamma phase.

Miner, R. V.↗
DOE OSTI2019

Temperature control to reduce capacity mismatch in parallel-connected lithium ion cells

The temperature and capacity of individual cells affect the current distribution in a battery pack. Non uniform current distribution among parallel-connected cells can lead to capacity imbalance and premature aging. This paper develops models that calculate the current in parallel-connected cells and predict their capacity fade. The model is validated experimentally for a nonuniform battery pack at different temperatures. The paper also proposes and validates the hypothesis that temperature control can reduce capacity mismatch in parallel-connected cells. Three Lithium Iron Phosphate cells, two cells at higher initial capacity than the third cell, are connected in parallel. The pack is cycled for 1500 Hybrid Electric Vehicles cycles with the higher capacity cells regulated at 40 C and the lower capacity cell at 20 C. As predicted by the model, the higher capacity and temperature cells age faster, reducing the capacity mismatch by 48% over the 1500 cycles. A case study shows that cooling of low capacity cells can reduce capacity mismatch and extend pack life.

25 ENERGY STORAGE↗
DOE OSTI2021

Formation of pyrophosphates across grain boundaries induces the formation of mismatched but oriented interfaces in silver phosphate polypods

The interfaces and their misfit defects determine the materials properties for a wide range of applications, such as electronic devices, photocatalysis, and mechanical engineering, etc. However, current understanding of atomic interfacial structures is limited. Here we discover a special interfacial structure, mismatched but oriented interface via two distinct facets. Transmission and scanning electron microscopy results suggest that, in Ag 3 PO 4 polypods structures, interfaces of {1 0 0} and {1 1 0}, ({1 0 0}/(1 1 0}), {1 0 0}/{1 1 1}, {1 1 0}/{1 1 1}, and {1 0 0}/{1 0 0}, etc., have a certain orientation relationship, corresponding to the energy minima and coincident site lattice of interfacial atoms as demonstrated by molecular dynamics simulations. Density functional theory demonstrates that the formation of pyrophosphate and/or phosphates rotation to bond across the interface compensate the lattice mismatch at the interfaces, as well as deformations of Ag-O bonds. Furthermore, our work opens up a new avenue for a much wider range of interfacial structures, allow for a higher diversity of structures, and shine light on tailoring crystal structures, morphologies, and the resulting properties.

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

The roles of yield strength mismatch, interface strength, and plastic strain gradients in fatigue crack growth across interfaces

An irreversible cohesive zone model was used to understand how plastic strain gradients and yield strength mismatches affect fatigue crack growth across bi-material and multilayer interfaces for a range of interface strengths. Parametric studies identified regimes of penetration through the interface, deflection into the interface, and a transition where cracks extend on both paths. Plastic strain gradients strongly influence the transition regime, and a yield strength mismatch is necessary to cause deflection. For crack growth across an interlayer, interactions between the interfaces occur when the crack-tip plastic zone spans the interlayer. Plastic strain gradients promote penetration through the interlayer.

42 ENGINEERING↗
DOE OSTI2012

Short Hairpin RNA Suppression of Thymidylate Synthase Produces DNA Mismatches and Results in Excellent Radiosensitization

Purpose: To determine the effect of short hairpin ribonucleic acid (shRNA)-mediated suppression of thymidylate synthase (TS) on cytotoxicity and radiosensitization and the mechanism by which these events occur. Methods and Materials: shRNA suppression of TS was compared with 5-fluoro-2 Prime -deoxyuridine (FdUrd) inactivation of TS with or without ionizing radiation in HCT116 and HT29 colon cancer cells. Cytotoxicity and radiosensitization were measured by clonogenic assay. Cell cycle effects were measured by flow cytometry. The effects of FdUrd or shRNA suppression of TS on dNTP deoxynucleotide triphosphate imbalances and consequent nucleotide misincorporations into deoxyribonucleic acid (DNA) were analyzed by high-pressure liquid chromatography and as pSP189 plasmid mutations, respectively. Results: TS shRNA produced profound ({>=}90%) and prolonged ({>=}8 days) suppression of TS in HCT116 and HT29 cells, whereas FdUrd increased TS expression. TS shRNA also produced more specific and prolonged effects on dNTPs deoxynucleotide triphosphates compared with FdUrd. TS shRNA suppression allowed accumulation of cells in S-phase, although its effects were not as long-lasting as those of FdUrd. Both treatments resulted in phosphorylation of Chk1. TS shRNA alone was less cytotoxic than FdUrd but was equally effective as FdUrd in eliciting radiosensitization (radiation enhancement ratio: TS shRNA, 1.5-1.7; FdUrd, 1.4-1.6). TS shRNA and FdUrd produced a similar increase in the number and type of pSP189 mutations. Conclusions: TS shRNA produced less cytotoxicity than FdUrd but was equally effective at radiosensitizing tumor cells. Thus, the inhibitory effect of FdUrd on TS alone is sufficient to elicit radiosensitization with FdUrd, but it only partially explains FdUrd-mediated cytotoxicity and cell cycle inhibition. The increase in DNA mismatches after TS shRNA or FdUrd supports a causal and sufficient role for the depletion of dTTP thymidine triphosphate and consequent DNA mismatches underlying radiosensitization. Importantly, shRNA suppression of TS avoids FP-mediated TS elevation and its negative prognostic role. These studies support the further exploration of TS suppression as a novel radiosensitizing strategy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

From coherent to incoherent mismatched interfaces. A generalized continuum formulation of surface stresses

The equilibrium of coherent and incoherent mismatched interfaces is reformulated in the context of continuum mechanics based on the Gibbs dividing surface concept. Two surface stresses are introduced: a coherent surface stress and an incoherent surface stress, as well as a transverse excess strain. Additionally, the coherent surface stress and the transverse excess strain represent the thermodynamic driving forces of stretching the interface while the incoherent surface stress represents the driving force of stretching one crystal while holding the other fixed and thereby altering the structure of the interface. These three quantities fully characterize the elastic behavior of coherent and incoherent interfaces as a function of the in-plane strain, the transverse stress and the mismatch strain. The isotropic case is developed in detail and particular attention is paid to the case of interfacial thermo-elasticity. This exercise provides an insight on the physical significance of the interfacial elastic constants introduced in the formulation and illustrates the obvious coupling between the interface structure and its associated thermodynamics quantities. Finally, an example based on atomistic simulations of Cu/Cu 2 O interfaces is given to demonstrate the relevance of the generalized interfacial formulation and to emphasize the dependence of the interfacial thermodynamic quantities on the incoherency strain with an actual material system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Purification, crystallization and preliminary X-ray diffraction analysis of the human mismatch repair protein MutS[beta]

MutS{beta} is a eukaryotic mismatch repair protein that preferentially targets extrahelical unpaired nucleotides and shares partial functional redundancy with MutS{alpha} (MSH2-MSH6). Although mismatch recognition by MutS{alpha} has been shown to involve a conserved Phe-X-Glu motif, little is known about the lesion-binding mechanism of MutS{beta}. Combined MSH3/MSH6 deficiency triggers a strong predisposition to cancer in mice and defects in msh2 and msh6 account for roughly half of hereditary nonpolyposis colorectal cancer mutations. These three MutS homologs are also believed to play a role in trinucleotide repeat instability, which is a hallmark of many neurodegenerative disorders. The baculovirus overexpression and purification of recombinant human MutS{beta} and three truncation mutants are presented here. Binding assays with heteroduplex DNA were carried out for biochemical characterization. Crystallization and preliminary X-ray diffraction analysis of the protein bound to a heteroduplex DNA substrate are also reported.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

A Neural Network-Based Power Mismatch Elimination Strategy for Integrated Solar and ESS AC/DC Systems (MARS)

The multiport autonomous reconfigurable solar power plant (MARS) is a promising concept for the integration of photovoltaic (PV) and energy storage system (ESS) to the transmission ac grid and a high-voltage direct current (HVdc) link. The presence of PV and ESS in each arm of the MARS results in uneven distribution of active power among different submodules (SMs), thereby leading to unbalanced SM capacitor voltages and potentially compromising the system stability. Moreover, in the case of partial shadings, shaded PV SMs will suffer from decreased power injections causing power mismatch in the MARS system. To address this issue, a neural-network-based power mismatch elimination (NNPME) strategy is proposed in this article. The proposed NNPME strategy optimizes ESS usage and leverages both dc and ac circulating currents to facilitate power transfer among the SMs, arms, and phases of the MARS system. Simulation and control hardware-in-the-loop (cHIL) experiments demonstrate the effectiveness of the proposed NNPME strategy. Compared with the traditional approaches, the proposed NNPME strategy can significantly enhance system efficiency and ensure stable and continuous operation, even in the presence of uneven power distribution within the MARS system.

14 SOLAR ENERGY↗
DOE OSTI2019

Bifacial PV System Mismatch Loss Estimation

Nonuniform rear-irradiance on bifacial PV systems can cause additional mismatch loss, which may not be appropriately captured in PV energy production estimates and software. A simplified empirical relationship is presented that links the spatial variation of irradiance (to the resulting mismatch loss factor).

14 SOLAR ENERGY↗
DOE OSTI2018

Oxygen Diode Formed in Nickelate Heterostructures by Chemical Potential Mismatch

Deliberate control of oxygen vacancy formation and migration in perovskite oxide thin films is important for developing novel electronic and iontronic devices. Here in this paper, it is found that the concentration of oxygen vacancies (V O ) formed in LaNiO 3 (LNO) during pulsed laser deposition is strongly affected by the chemical potential mismatch between the LNO film and its proximal layers. Increasing the V O concentration in LNO significantly modifies the degree of orbital polarization and drives the metal–insulator transition. Changes in the nickel oxidization state and carrier concentration in the films are confirmed by soft X-ray absorption spectroscopy and optical spectroscopy. The ability to unidirectional-control the oxygen flow across the heterointerface, e.g., a so-called “oxygen diode”, by exploiting chemical potential mismatch at interfaces provides a new avenue to tune the physical and electrochemical properties of complex oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Evaluation of Plastic “Eta” Factor for Welds of SS316L(N) with High Strength Mismatch Ratio

Fracture testing standards of ASTM and ISO recommend expressions for plastic η factor of various fracture test specimen geometries to evaluate the fracture behavior of materials. These are intended for homogenous specimens, but according to ISO 15653, it can be extended for weldments up to a strength mismatch ratio (M) of 1.25. In practice, M > 1.25 is encountered in many applications. In the present study, η factor has been evaluated for welded compact tension specimens using a limit load-based approach. The η factors obtained using this approach for homogenous specimens with elastic–perfectly plastic material model are found to be within ± 4% of those from the ASTM E 1820-17a, thereby validating the procedure. For welds, the limit load is obtained from nonlinear (elastic–plastic) FE simulations. η factors for specimens with various crack lengths (a), weld width (h) and strength mismatch have been evaluated and found to be significantly influenced by these parameters. For M > 1.25, the estimated η values were found to be ~ 16% lower compared to that from the ASTM E 1820-17a. Thus, the use of the η values from the proposed method provides a conservative estimate of J–R curve for the welds. Further, it has been observed that depending on the slope of the blunting line, the J{sub Ic} value may vary significantly with the estimated η values.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Epigenetic alteration of mismatch repair genes in the population chronically exposed to arsenic in West Bengal, India

Highlights: • The present study highlights the association of MMR pathway with arsenic exposure. • Evaluation of the methylation status of key MMR genes. • Epigenetic repression of MLH1 and MSH2 due to promoter hypermethylation. • Significant down regulation of H3K36me3-the mismatch recognition moiety. • Impaired MMR pathway might increase susceptibility towards DNA damage and cancer. Arsenic exposure and its adverse health outcome, including the association with cancer risk are well established from several studies across the globe. The present study aims to analyze the epigenetic regulation of key mismatch repair (MMR) genes in the arsenic-exposed population.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Effect of atomic size mismatch and chemical complexity on the local lattice distortion of BCC solid solution alloys

Here, the effects of atomic size mismatch and chemical complexity on the local lattice distortion of solid-solution alloys VNbTa, TiVNbMo, TiVNbMoTa and TiVNbMoTaWRe with body-centered cubic (BCC) structure are quantitatively studied with time-of-flight neutron total scattering, extended X-ray absorption fine structure (EXAFS) measurements and first principles calculations. Neutron atomic pair distribution function (PDF) measurements found that the local lattice distortion in the ternary solid-solution alloy VNbTa is 1.1 %, obviously larger than that of the most complicated solid-solution alloy (0.27% for TiVNbMoTaWRe). Our results suggested that atomic size mismatch in high entropy alloys is more critical to the local lattice distortion than chemical complexity. Both EXAFS analysis and theoretical calculations indicate that there is a maximum of ~4 % difference between the bonding length of different atomic pairs in VNbTa.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Charged Block Length Mismatch on Double Diblock Polyelectrolyte Complex Micelle Cores

Polyelectrolyte complex micelles are hydrophilic nanoparticles that self-assemble in aqueous environments due to associative microphase separation between oppositely charged blocky polyelectrolytes. In this work, we employ a suite of physical characterization tools to examine the effect of charged block length mismatch on the equilibrium structure of double diblock polyelectrolyte complex micelles (D-PCMs) by mixing a diverse library of peptide and synthetic charged-neutral block polyelectrolytes with a wide range of charged block lengths (25–200 units) and chemistries. Early work on D-PCMs suggested that this class of micelles can only be formed from blocky polyelectrolytes with identical charged block lengths, a phenomenon referred to as chain length recognition. Here, we use salt annealing to create PCMs at equilibrium, which shows that chain length recognition, a longstanding hurdle to repeatable self-assembly from mismatched polyelectrolytes, can be overcome. Interestingly, D-PCM structure–property relationships display a range of values that vary systematically with the charged block lengths and chemical identity of constituent polyelectrolyte pairings and cannot be described by generalizable scaling laws. We discuss the interdependent growth behavior of the radius, ionic pair aggregation number, and density in the micelle core for three chemically distinct diblock pairings and suggest a potential physical mechanism that leads to this unique behavior. By comparing the results of these D-PCMs to the scaling laws recently developed for single diblock polyelectrolyte complex micelles (S-PCMs: diblock + homopolymer), we observe that D-PCM design schemes reduce the size and aggregation number and restrict their growth to a function of charged block length relative to S-PCMs. Understanding these favorable attributes enables more predictive use of a wider array of charged molecular building blocks to anticipate and control macroscopic properties of micelles spanning countless storage and delivery applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Interfacial Octahedral Rotation Mismatch Control of the Symmetry and Properties of SrRuO 3

We can use epitaxial strain to tune the properties of complex oxides with perovskite structure. Beyond just lattice mismatch, the use of octahedral rotation mismatch at heterointerfaces could also provide a route to manipulate material properties. We examine the evolution of the lattice (i.e., parameters, symmetry, and octahedral rotations) of SrRuO 3 films grown on substrates engineered to have the same lattice parameters, but 2 different octahedral rotations. SrRuO 3 films grown on SrTiO 3 (001) (no octahedral rotations) and GdScO 3 -buffered SrTiO 3 (001) (with octahedral rotations) substrates are found to exhibit monoclinic and tetragonal symmetry, respectively. Electrical transport and magnetic measurements reveal that the tetragonal films exhibit higher resistivity, lower magnetic Curie temperatures, and more isotropic magnetism as compared to those with monoclinic structure. Synchrotron-based half-order Bragg peak analysis reveals that the octahedral rotation pattern in both film variants is the same (albeit with slightly different magnitudes of in-plane rotation angles). Furthermore, the abnormal rotation pattern observed in tetragonal SrRuO 3 indicates a possible decoupling between the internal octahedral rotation and lattice symmetry, which could provide new opportunities to engineer thin-film structure and properties.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Direct evidence of mismatching effect on H emission in laser-induced atmospheric helium gas plasma

A time-resolved orthogonal double pulse laser-induced breakdown spectroscopy (LIBS) with helium surrounding gas is developed for the explicit demonstration of time mismatch between the passage of fast moving impurity hydrogen atoms and the formation of thermal shock wave plasma generated by the relatively slow moving major host atoms of much greater masses ablated from the same sample. Although this so-called 'mismatching effect' has been consistently shown to be responsible for the gas pressure induced intensity diminution of hydrogen emission in a number of LIBS measurements using different ambient gases, its explicit demonstration has yet to be reported. The previously reported helium assisted excitation process has made possible the use of surrounding helium gas in our experimental set-up for showing that the ablated hydrogen atoms indeed move faster than the simultaneously ablated much heavier major host atoms as signaled by the earlier H emission in the helium plasma generated by a separate laser prior to the laser ablation. This conclusion is further substantiated by the observed dominant distribution of H atoms in the forward cone-shaped target plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Symmetry and lattice mismatch induced strain accommodation near and away from correlated perovskite interfaces

Distinct MnO{sub 6} octahedral distortions near and away from the La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/SrTiO{sub 3}(001) (LSMO/STO) interface are quantified using synchrotron x-ray diffraction and dynamical x-ray diffraction simulations. Three structural regions of stress accommodation throughout the film thickness were resolved: near the LSMO/STO interface, intermediate region farther from the interface, and the main layer away from the interface. The results show that within the first two unit cells stress is accommodated by the suppression of octahedral rotations in the film, leading to the expansion of the c-axis lattice parameter. Farther from the interface film structure acquires octahedral tilts similar to thicker perovskite films under tensile stress, leading to a reduced c-axis parameter. We demonstrate that these regions are related to two different strain coupling mechanisms: symmetry mismatch at the interface and lattice mismatch in the rest of the film. The findings suggest new routes for strain engineering in correlated perovskite heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗