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An, Ke

Publications and source records attributed to An, Ke.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A high-conduction Ge substituted Li3AsS4 solid electrolyte with exceptional low activation energy

In lithium-ion conducting solid electrolytes the potential to enable high-energy-density secondary batteries and offer distinctive safety features as an advantage over traditional liquid electrolytes is shown. Achieving the combination of high ionic conductivity, low activation energy, and outstanding electrochemical stability in crystalline solid electrolytes is a challenge for the synthesis of novel solid electrolytes. We report an exceptionally low activation energy (Ea) and high room temperature superionic conductivity via facile aliovalent substitution of Li 3 AsS 4 by Ge, which increased the conductivity by two orders of magnitude as compared to the parent compound. The composition Li 3.334 Ge 0.334 As 0.666 S 4 has a high ionic conductivity of 1.12 mScm -1 at 27°C. Local Li + hopping in this material is accompanied by distinctive low activation energy Ea of 0.17 eV being the lowest of Li + solid conductors. Finally, our study demonstrates the efficacy of surface passivation of solid electrolyte to achieve compatibility with metallic lithium electrodes.

25 ENERGY STORAGE↗
DOE OSTI2014

Deformation Behavior of Solid-Solution-Strengthened Mg-9wt%Al Alloy: In-Situ Neutron Diffraction and Elastic-Viscoplastic Self-Consistent Modeling

In situ neutron diffraction and elastic viscoplastic self-consistent (EVPSC) modeling have been employed to understand the deformation mechanisms of the loading unloading process under uniaxial tension in a solid-solution-strengthened extruded Mg 9 wt.% Al alloy. The initial texture measured by neutron diffraction shows that the {00.2} basal planes in most grains are tilted around 20 30 from the extrusion axis, indicating that basal slip should be easily activated in a majority of grains under tension. Non-linear stress strain responses are observed during unloading and reloading after the material is fully plastically deformed under tension. In situ neutron diffraction measurements have also demonstrated the non-linear behavior of lattice strains during unloading and reloading, revealing that load redistribution continuously occurs between soft and hard grain orientations. The predicted macroscopic stress strain curve and the lattice strain evolution by the EVPSC model are in good agreement with the experimental data. The EVPSC model provides the relative activities of the available slip and twinning modes, as well as the elastic and plastic strains of the various grain families. It is suggested that the non-linear phenomena in the macroscopic stress strain responses and microscopic lattice strains during unloading and reloading are due to plastic deformation by the operation of basal a slip in the soft grain orientations (e.g. {10.1}, {11.2} and {10.2} grain families).

Lee, Sooyeol↗
DOE OSTI2014

Revealing cyclic hardening mechanism of a TRIP steel by real-time in situ neutron diffraction

Real-time in situ neutron diffraction was performed on a transformation-induced plasticity (TRIP) steel under cyclic loading at room temperature. By Rietveld refinement and single peak analysis, the volume fraction and average stress estimates as well as dislocation density of individual phases (austenite and martensite phase) were derived. The results reveal that the volume fraction of martensite phase, instead of individual phase strengthening, should be accounted for the remarkable secondary cyclic hardening.

Austenitic steels↗
DOE OSTI2014

Visualizing the Structural Evolution of LSM/xYSZ Composite Cathodes for SOFC by in-situ Neutron Diffraction

Composite cathodes for solid oxide fuel cells, the mixtures of (La0.8Sr0.2)0.95MnO3- (LSM) and (Y2O3)x(ZrO2)1-x (xYSZ, x = 3, 6, 8 and 10), have the thermal stability unraveled at elevated temperatures by using in-situ neutron diffraction. The Rietveld refinement analysis of neutron diffraction visualizes the phase evolutions and the ion activities in the material systems. The phase transition of tetragonal YSZ at T > 900 C leads to a heterogeneous redistribution of Mn ions. The reaction of LSM and YSZ occurring at T > 1100 C was revealed as a three-stage process, yielding La2Zr2O7, SrZrO3 and MnO. The activities of Y, Mn and La ions at elevated temperatures are derived by the structural analysis, and the three-stage reaction of YSZ and LSM was found strongly correlated to ions behaviors.

Chen, Yan↗
DOE OSTI2014

Micromechanical Behavior of Solid-Solution-Strengthened Mg-1wt.%Al Alloy Investigated by In-Situ Neutron Diffraction

In-situ neutron-diffraction experiments were employed to investigate the micromechanical behavior of solid-solution-strengthened Mg-1wt.%Al alloy. Two starting textures were used: 1) as-extruded then solutionized texture, T1, in which the basal poles of most grains are tilted around 70~85 from the extrusion axis, and 2) a reoriented texture, T2, in which the basal poles of most grains are tilted around 10~20 from the extrusion axis. Lattice strains and diffraction peak intensity variations were measured in situ during loading-unloading cycles in uniaxial tension. Twinning activities and stress states for various grain orientations were revealed. The results show that the soft grain orientations, favorably oriented for either extension twinning or basal slip, exhibit the stress relaxation, resulting in the compressive residual strain after unloading. On the other hand, the hard grain orientations, unfavorably oriented for both extension twinning and basal slip, carry more applied load, leading to much higher lattice strains during loading followed by tensile residual strains upon unloading.

Lee, Sooyeol↗
DOE OSTI2014

Strain Measurement of Geological Samples Subjected to Triaxial Stresses Experienced During Hydraulic Loading

Understanding stress and strain relationships and having the ability to predict these quantities for known load conditions is crucial to all geomechanical and, in some instances, reservoir flow applications. The constitutive equations governing the deformation of geological materials are typically adequate for bulk or large scale deformation and stress analyses. However, these rules are generally less precise in their ability to make accurate predictions in physical processes where highly localized material heterogeneity exists or where the presence of geometric irregularities such as micro-cracks may be present. This is especially relevant to EGS where hydraulic fracture propagation models are needed to develop optimal reservoir creation strategies and where fracture permeability is significantly influenced by regional stress states and may affect reservoir operation strategies. The deficiencies of the models used to describe these physical processes are a practical reality necessitated by the manner in which rock properties must be obtained. Conventional rock mechanics tests subject samples to controlled load conditions and measure bulk deformations of the sample or more localized deformations only on exposed surfaces of the sample. They are currently unable to comprehensively map the deformation state within the sample. For processes such as fracture, however, the state of a particular region within the rock drives the overall failure behavior of the sample. The authors believe that possessing a means to measure strains within samples subjected to hydraulic fracture loading conditions will provide a useful tool for understanding the localized effects not captured by conventional techniques and may serve as a method for improving hydraulic fracture models. An ongoing effort at Oak Ridge National Laboratory endeavors to develop a neutron diffraction based strain measurement capability to interrogate the strain state of a geological sample, at arbitrary internal locations, subjected to a triaxial stress state. The basis of the method and initial results for simple load conditions were reported at last year s Stanford Geothermal Workshop. This work will report results from recent neutron diffraction strain measurement experiments in which marble samples were subjected to load conditions more representative of hydraulic fracturing operations within a pressure cell specially designed for the reported strain measurement technique.

An, Ke↗
DOE OSTI2014

Processing of Neutron Diffraction Data for Strain Measurement in Geological Materials

: Conventional rock mechanics testing techniques typically involve the loading of samples and measurement of displacements or strains on the outer boundary of the specimen surface. Neutron diffraction based strain measurement techniques represent a unique and powerful tool for measuring the strain within geological materials under load. The structural variability and non-uniform crystallinity of geological materials, however, create many complexities in the intensity patterns that must be analyzed to quantify strains within the material. The attenuating and scattering properties of the pressure cell housing the sample further add difficulties to the data analysis. This paper describes the methods and processes used to process neutron scattering data for strain measurement in geological materials. It is intended to provide a primer for those in the rock mechanics community that are interested in utilizing this technique along with additional discussion of neutron diffraction experimental factors that may affect data quality.

Polsky, Yarom↗
DOE OSTI2014

A Novel In-situ Electrochemical Cell for Neutron Diffraction Studies of Phase Transitions in Small Volume Electrodes of Li-ion Batteries

The design and performance of a novel in-situ electrochemical cell that greatly facilitates the neutron diffraction study of complex phase transitions in small volume electrodes of Li-ion cells, is presented in this work. Diffraction patterns that are Rietveld-refinable could be obtained simultaneously for all the electrodes, which demonstrates that the cell is best suited to explore electrode phase transitions driven by the lithiation and delithiation processes. This has been facilitated by the use of single crystal (100) Si sheets as casing material and the planar cell configuration, giving improved signal-to-noise ratio relative to other casing materials. The in-situ cell has also been designed for easy assembly and to facilitate rapid experiments. The effectiveness of cell is demonstrated by tracking the neutron diffraction patterns during the charging of graphite/LiCoO2 and graphite/LiMn2O4 cells. It is shown that good quality neutron diffraction data can be obtained and that most of the finer details of the phase transitions, and the associated changes in crystallographic parameters in these electrodes, can be captured.

Vadlamani, Bhaskar S↗
DOE OSTI2013

In-situ observation of inhomogeneous degradation in large format Li-ion cells by neutron diffraction

This work presents a non-destructive in-situ method for probing degradation mechanisms in large format, operating, commercial lithium-ion batteries by neutron diffraction. A fresh battery (15 Ah capacity) was shown to have a uniform (homogeneous) local state of charge (SOC) at 4.0 V (9 Ah SOC) and 4.2 V (15 Ah SOC), with 1.33 C and 2.67 C charging rates, respectively. This battery was then aggressively cycled until it retained only a 9 Ah capacity, 60% of its original value. Inhomogeneous deterioration in the battery was observed: near the edges, both the graphite anode and the spinel-based cathode showed a significant loss of capacity, while near the central area, both electrodes functioned properly. An SOC mapping measurement of the degraded battery in the fully charged state (4.2 V) indicated that the loss of local capacity of the anode and cathode is coupled.

25 ENERGY STORAGE↗
NASA NTRS2013

Macroscopic and Microstructural Aspects of the Transformation Behavior in a Polycrystalline NiTi Shape Memory Alloy

The mechanical and microstructural behavior of a polycrystalline Ni(49.9)Ti(50.1) (at.%) shape memory alloy was investigated as a function of temperature around the transformation regime. The bulk macroscopic responses, measured using ex situ tensile deformation and impulse excitation tests, were compared to the microstructural evolution captured using in situ neutron diffraction. The onset stress for inelastic deformation and dynamic Young's modulus were found to decrease with temperature, in the martensite regime, reaching a significant minimum at approximately 80 C followed by an increase in both properties, attributed to the martensite to austenite transformation. The initial decrease in material compliance during heating affected the ease with which martensite reorientation and detwinning could occur, ultimately impacting the stress for inelastic deformation prior to the start of the reverse transformation.

Benafan, Othmane↗
DOE OSTI2013

Lightweight, durable lead-acid batteries

A lightweight, durable lead-acid battery is disclosed. Alternative electrode materials and configurations are used to reduce weight, to increase material utilization and to extend service life. The electrode can include a current collector having a buffer layer in contact with the current collector and an electrochemically active material in contact with the buffer layer. In one form, the buffer layer includes a carbide, and the current collector includes carbon fibers having the buffer layer. The buffer layer can include a carbide and/or a noble metal selected from of gold, silver, tantalum, platinum, palladium and rhodium. When the electrode is to be used in a lead-acid battery, the electrochemically active material is selected from metallic lead (for a negative electrode) or lead peroxide (for a positive electrode).

25 ENERGY STORAGE↗
DOE OSTI2013

Unraveling structural evolution of LiNi 0.5 Mn 1.5 O 4 by in situ neutron diffraction

Here, we report that the electrochemical properties of the spinel LiNi 0.5 Mn 1.5 O 4 cathode material are influenced by the synthesis processes, which determines the impurity phase and the distribution of Ni and Mn in the spinel structure. Taking advantage of neutron's high sensitivity to Ni and Mn, in situ neutron diffraction has been employed to quantify the phase formation/structural evolution process under continuous heating/cooling and isothermal annealing conditions. The results show that the subtle Ni and Mn ordering process occurs slowly at 700 °C and the degree of ordering can be controlled by the annealing time. At temperatures above 750 °C, the LiNi 0.5 Mn 1.5 O 4 spinel phase starts to decompose into the rock-salt impurity phase accompanied by the release of O 2 . The rock-salt phase reverts back to the spinel phase upon cooling along with the oxygen uptake. In conclusion, the dynamic process of structural evolution of LiNi 0.5 Mn 1.5 O 4 that was unraveled by in situ neutron diffraction is valuable for guiding the synthesis of cathode materials with desirable properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Neutron Characterization for Additive Manufacturing

Oak Ridge National Laboratory (ORNL) is leveraging decades of experience in neutron characterization of advanced materials together with resources such as the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) shown in Fig. 1 to solve challenging problems in additive manufacturing (AM). Additive manufacturing, or three-dimensional (3-D) printing, is a rapidly maturing technology wherein components are built by selectively adding feedstock material at locations specified by a computer model. The majority of these technologies use thermally driven phase change mechanisms to convert the feedstock into functioning material. As the molten material cools and solidifies, the component is subjected to significant thermal gradients, generating significant internal stresses throughout the part (Fig. 2). As layers are added, inherent residual stresses cause warping and distortions that lead to geometrical differences between the final part and the original computer generated design. This effect also limits geometries that can be fabricated using AM, such as thin-walled, high-aspect- ratio, and overhanging structures. Distortion may be minimized by intelligent toolpath planning or strategic placement of support structures, but these approaches are not well understood and often "Edisonian" in nature. Residual stresses can also impact component performance during operation. For example, in a thermally cycled environment such as a high-pressure turbine engine, residual stresses can cause components to distort unpredictably. Different thermal treatments on as-fabricated AM components have been used to minimize residual stress, but components still retain a nonhomogeneous stress state and/or demonstrate a relaxation-derived geometric distortion. Industry, federal laboratory, and university collaboration is needed to address these challenges and enable the U.S. to compete in the global market. Work is currently being conducted on AM technologies at the ORNL Manufacturing Demonstration Facility (MDF) sponsored by the DOE's Advanced Manufacturing Office. The MDF is focusing on R&D of both metal and polymer AM pertaining to in-situ process monitoring and closed-loop controls; implementation of advanced materials in AM technologies; and demonstration, characterization, and optimization of next-generation technologies. ORNL is working directly with industry partners to leverage world-leading facilities in fields such as high performance computing, advanced materials characterization, and neutron sciences to solve fundamental challenges in advanced manufacturing. Specifically, MDF is leveraging two of the world's most advanced neutron facilities, the HFIR and SNS, to characterize additive manufactured components.

Watkins, Thomas↗