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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

CRISPR/Cas9-Assisted Transformation-Efficient Reaction (CRATER) for Near-Perfect Selective Transformation

The CRISPR (Clustered, Regularly Interspaced, Short Palindromic Repeats)/Cas9 system has revolutionized genome editing by providing unprecedented DNA-targeting specificity. Here we demonstrate that this system can be also applied in vitro to fundamental cloning steps to facilitate efficient plasmid selection for transformation and selective gene insertion into plasmid vectors by cleaving unwanted plasmid byproducts with a single-guide RNA (sgRNA)-Cas9 nuclease complex. Using fluorescent and chromogenic proteins as reporters, we demonstrate that CRISPR/Cas9 cleavage excludes multiple plasmids as well as unwanted ligation byproducts resulting in an unprecedented increase in the transformation success rate from approximately 20% to nearly 100%. Thus, this CRISPR/Cas9-Assisted Transformation-Efficient Reaction (CRATER) protocol is a novel, inexpensive, and convenient application to conventional molecular cloning to achieve near-perfect selective transformation.

molecular cloning↗
DOE OSTI2016

Magnetic and magneto-transport studies of substrate effect on the martensitic transformation in a NiMnIn shape memory alloy

The effect of substrates on the magnetic and transport properties of Ni{sub 2}Mn{sub 1.5}In{sub 0.5} ultra-thin films were studied theoretically and experimentally. High quality 8-nm films were grown by laser-assisted molecular beam epitaxy deposition. Magneto-transport measurements revealed that the films undergo electronic structure transformation similar to those of bulk materials at the martensitic transformation. The temperature of the transformation depends strongly on lattice parameters of the substrate. To explain this behavior, we performed DFT calculations on the system and found that different substrates change the relative stability of the ferromagnetic (FM) austenite and ferrimagnetic (FiM) martensite states. We conclude that the energy difference between the FM austenite and FiM martensite states in Ni{sub 2}Mn{sub 1.5}In{sub 0.5} films grown on MgO (001) substrates is ΔE = 0.20 eV per NiMnIn f.u, somewhat lower compared to ΔE = 0.24 eV in the bulk material with the same lattice parameters. When the lattice parameters of Ni{sub 2}Mn{sub 1.5}In{sub 0.5} film have values close to those of the MgO substrate, the energy difference becomes ΔE = 0.08 eV per NiMnIn f.u. These results suggest the possibility to control the martensitic transition in thin films through substrate engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Multiphase Resistivity Model for Magnetic Nanocomposites Developed for High Frequency, High Power Transformation

New power conversion systems that offer promise to transform electricity grids into unified interactive supply networks require high-resistivity soft-magnetic materials to allow for switching of magnetic materials at frequencies approaching 100 kHz for power transformation in the megawatt range. Amorphous and nanocomposite soft-magnetic materials, which represent the state of the art in terms of high power densities and low losses at high frequencies, have resistivities that depend on the structures and spatial distributions of multiple phases in thin ribbons. We present a multiphase resistivity model applicable to nanocomposite materials by considering an equivalent circuit approach considering paths through an amorphous, crystalline, and growth inhibitor shell phase. We detail: (a) identification of amorphous, crystalline, and shell phases; (b) consideration of the role of the morphology of each phase in an equivalent circuit model for the resistance; (c) a two-band model for the Fe/Co composition dependence of the resistivity in crystalline and amorphous phases; (d) a virtual bound state model for resistivity to explain increased resistivity due to early transition-metal growth inhibitors in the shell surrounding the nanocrystalline phase; and (e) disorder effects on amorphous phase resistivity. Experimental design and results for systems of interest in high-frequency power transformation are discussed in the context of our model including: (a) techniques for measurements of cross-section and density, (b) four-point probe and surface resistivity measurements, and (c) measurements in Fe- and Co-rich systems comparing amorphous and nanocomposite materials.

DeGeorge, V↗
DOE OSTI2017

Chemical and physical controls on the transformation of amorphous calcium carbonate into crystalline CaCO3 polymorphs

Calcite and other crystalline polymorphs of CaCO3 can form by pathways involving amorphous calcium carbonate (ACC). Apparent inconsistencies in the literature indicate the relationships between ACC composition, local conditions, and the subsequent crystalline polymorphs are not yet established. This experimental study quantifies the control of solution composition on the transformation of ACC into crystalline polymorphs in the presence of magnesium. Using a mixed flow reactor to control solution chemistry, ACC was synthesized with variable Mg contents by tuning input pH, Mg/Ca, and total carbonate concentration. ACC products were allowed to transform within the output suspension under stirred or quiescent conditions while characterizing the evolving solutions and solids. As the ACC transforms into a crystalline phase, the solutions record a polymorph-specific evolution of pH and Mg/Ca.

Blue, Christina R.↗
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↗