Synthesis of LiMn1.9Ti0.09Si0.01O4 by self-propagating combustion method

NASA Astrophysics Data System (ADS)

Abdullah, Amzar Ahlami; Kamarulzaman, Norlida; Badar, Nurhanna; Aziz, Nor Diyana Abdul

2017-09-01

Cathode materials have been an essential area of research for many decades. In this work, a novel spinel cathode, LiMn1.9Ti0.09Si0.01O4 was prepared via a combustion method using citric acid as a reductant. The objective is to obtain a pure and single phase cubic structured material. The precursors obtained were annealed at 600, 700 and 800 °C for 24 hours. The observed materials were characterized by thermal profiling and X-ray diffraction. Pure and single phase materials are obtained and achieved.

Method of forming particulate materials for thin-film solar cells

DOEpatents

Eberspacher, Chris; Pauls, Karen Lea

2004-11-23

A method for preparing particulate materials useful in fabricating thin-film solar cells is disclosed. Particulate materials is prepared by the method include for example materials comprising copper and indium and/or gallium in the form of single-phase, mixed-metal oxide particulates; multi-phase, mixed-metal particulates comprising a metal oxide; and multinary metal particulates.

Mixed ionic and electronic conducting ceramic membranes for hydrocarbon processing

DOEpatents

Van Calcar, Pamela; Mackay, Richard; Sammells, Anthony F.

2002-01-01

The invention relates to mixed phase materials for the preparation of catalytic membranes which exhibit ionic and electronic conduction and which exhibit improved mechanical strength compared to single phase ionic and electronic conducting materials. The mixed phase materials are useful for forming gas impermeable membranes either as dense ceramic membranes or as dense thin films coated onto porous substrates. The membranes and materials of this invention are useful in catalytic membrane reactors in a variety of applications including synthesis gas production. One or more crystalline second phases are present in the mixed phase material at a level sufficient to enhance the mechanical strength of the mixture to provide membranes for practical application in CMRs.

First principles numerical model of avalanche-induced arc discharges in electron-irradiated dielectrics

NASA Technical Reports Server (NTRS)

Beers, B. L.; Pine, V. W.; Hwang, H. C.; Bloomberg, H. W.; Lin, D. L.; Schmidt, M. J.; Strickland, D. J.

1979-01-01

The model consists of four phases: single electron dynamics, single electron avalanche, negative streamer development, and tree formation. Numerical algorithms and computer code implementations are presented for the first three phases. An approach to developing a code description of fourth phase is discussed. Numerical results are presented for a crude material model of Teflon.

Measurement of elastic and thermal properties of composite materials using digital speckle pattern interferometry

NASA Astrophysics Data System (ADS)

Kumar, Manoj; Khan, Gufran S.; Shakher, Chandra

2015-08-01

In the present work, application of digital speckle pattern interferometry (DSPI) was applied for the measurement of mechanical/elastic and thermal properties of fibre reinforced plastics (FRP). Digital speckle pattern interferometric technique was used to characterize the material constants (Poisson's ratio and Young's modulus) of the composite material. Poisson ratio based on plate bending and Young's modulus based on plate vibration of material are measured by using DSPI. In addition to this, the coefficient of thermal expansion of composite material is also measured. To study the thermal strain analysis, a single DSPI fringe pattern is used to extract the phase information by using Riesz transform and the monogenic signal. The phase extraction from a single DSPI fringe pattern by using Riesz transform does not require a phase-shifting system or spatial carrier. The elastic and thermal parameters obtained from DSPI are in close agreement with the theoretical predictions available in literature.

Atomic-Ordering-Induced Quantum Phase Transition between Topological Crystalline Insulator and Z 2 Topological Insulator

NASA Astrophysics Data System (ADS)

Deng, Hui-Xiong; Song, Zhi-Gang; Li, Shu-Shen; Wei, Su-Huai; Luo, Jun-Wei

2018-05-01

Topological phase transition in a single material usually refers to transitions between a trivial band insulator and a topological Dirac phase, but the transition may also occur between different classes of topological Dirac phases. However, it is a fundamental challenge to realize quantum transition between Z2 nontrivial topological insulator (TI) and topological crystalline insulator (TCI) in one material because Z2 TI and TCI are hardly both co-exist in a single material due to their contradictory requirement on the number of band inversions. The Z2 TIs must have an odd number of band inversions over all the time-reversal invariant momenta, whereas, the newly discovered TCIs, as a distinct class of the topological Dirac materials protected by the underlying crystalline symmetry, owns an even number of band inversions. Here, take PbSnTe2 alloy as an example, we show that at proper alloy composition the atomic-ordering is an effective way to tune the symmetry of the alloy so that we can electrically switch between TCI phase and Z2 TI phase when the alloy is ordered from a random phase into a stable CuPt phase. Our results suggest that atomic-ordering provides a new platform to switch between different topological phases.

Heavy ion irradiations on synthetic hollandite-type materials: Ba{sub 1.0}Cs{sub 0.3}A{sub 2.3}Ti{sub 5.7}O{sub 16} (A=Cr, Fe, Al)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Ming, E-mail: mtang@lanl.gov; Tumurugoti, Priyatham; Clark, Braeden

2016-07-15

The hollandite supergroup of minerals has received considerable attention as a nuclear waste form for immobilization of Cs. The radiation stability of synthetic hollandite-type compounds described generally as Ba{sub 1.0}Cs{sub 0.3}A{sub 2.3}Ti{sub 5.7}O{sub 16} (A=Cr, Fe, Al) were evaluated by heavy ion (Kr) irradiations on polycrystalline single phase materials and multiphase materials incorporating the hollandite phases. Ion irradiation damage effects on these samples were examined using grazing incidence X-ray diffraction (GIXRD) and transmission electron microscopy (TEM). Single phase compounds possess tetragonal structure with space group I4/m. GIXRD and TEM observations revealed that 600 keV Kr irradiation-induced amorphization on single phasemore » hollandites compounds occurred at a fluence between 2.5×10{sup 14} Kr/cm{sup 2} and 5×10{sup 14} Kr/cm{sup 2}. The critical amorphization fluence of single phase hollandite compounds obtained by in situ 1 MeV Kr ion irradiation was around 3.25×10{sup 14} Kr/cm{sup 2}. The hollandite phase exhibited similar amorphization susceptibility under Kr ion irradiation when incorporated into a multiphase system. - Graphical abstract: 600 keV Kr irradiation-induced amorphization on single phase hollandites compounds occurred at a fluence between 2.5×10{sup 14} Kr/cm{sup 2} and 5×10{sup 14} Kr/cm{sup 2}. The hollandite phase exhibited similar amorphization susceptibility under Kr ion irradiation when incorporated into a multiphase system. This is also the first time that the critical amorphization fluence of single phase hollandite compounds were determined at a fluence of around 3.25×10{sup 14} Kr/cm{sup 2} by in situ 1 MeV Kr ion irradiation. Display Omitted.« less

Modelling Assisted Design and Synthesis of Highly Porous Materials for Chemical Adsorbents

DTIC Science & Technology

2010-10-01

two phases of crystal, a monoclinic phase within the solution, and after removal from solution a trigonal phase is obtained. The single crystal...days. Single crystal X-ray data showed there existed a monoclinic phase within the solution that, upon removal from solution, rapidly converted to a... monoclinic to trigonal upon desolvation, as the new peak which has emerged matches the simulated PXRD of the trigonal phase. Also, as the sample is

Polarization Phase-Compensating Coats for Metallic Mirrors

NASA Technical Reports Server (NTRS)

Balasubramanian, Kunjithapatham

2006-01-01

A method of compensating for or minimizing phase differences between orthogonal polarizations of light reflected from metallic mirrors at oblique incidence, as, for example, from weakly curved mirrors, is undergoing development. The method is intended to satisfy a need to maintain precise polarization phase relationships or minimum polarization differences needed for proper operation of telescopes and other scientific instruments that include single or multiple mirrors. The basic idea of the method is to optimally coat mirrors with thin engineered layers of materials that introduce phase differences that, as nearly precisely as possible, are opposite of the undesired phase differences arising in reflection with non-optimum coatings. Depending on the specific optical system, the method could involve any or all of the following elements: a) Optimization of a single coat on all the mirrors in the system. b) Optimization of a unique coat for each mirror such that the polarization phase effects of the coat on one mirror compensate, to an acceptably high degree over an acceptably wide wavelength range, for those of the coat on another mirror. c) Tapering the coat on each mirror. Optimization could involve the choice of a single dielectric coating material and its thickness, or design of a more complex coat consisting of multiple layers of different dielectric materials and possibly some metallic materials. Such designs and coatings are particularly significant and needed for obtaining very high quality of wavefront required in high-contrast imaging instruments such as the NASA Terrestrial Planet Finder Coronagraph.

Nanomechanics of Ferroelectric Thin Films and Heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang Y.; Chen , L.Q.

2016-08-31

The focus of this chapter is to provide basic concepts of how external strains/stresses altering ferroelectric property of a material and how to evaluate quantitatively the effect of strains/stresses on phase stability, domain structure, and material ferroelectric properties using the phase-field method. The chapter starts from a brief introduction of ferroelectrics and the Landau-Devinshire description of ferroelectric transitions and ferroelectric phases in a homogeneous ferroelectric single crystal. Due to the fact that ferroelectric transitions involve crystal structure change and domain formation, strains and stresses can be produced inside of the material if a ferroelectric transition occurs and it is confined.more » These strains and stresses affect in turn the domain structure and material ferroelectric properties. Therefore, ferroelectrics and strains/stresses are coupled to each other. The ferroelectric-mechanical coupling can be used to engineer the material ferroelectric properties by designing the phase and structure. The followed section elucidates calculations of the strains/stresses and elastic energy in a thin film containing a single domain, twinned domains to complicated multidomains constrained by its underlying substrate. Furthermore, a phase field model for predicting ferroelectric stable phases and domain structure in a thin film is presented. Examples of using substrate constraint and temperature to obtain interested ferroelectric domain structures in BaTiO3 films are demonstrated b phase field simulations.« less

Substrate-induced phase of a [1]benzothieno[3,2-b]benzothiophene derivative and phase evolution by aging and solvent vapor annealing.

PubMed

Jones, Andrew O F; Geerts, Yves H; Karpinska, Jolanta; Kennedy, Alan R; Resel, Roland; Röthel, Christian; Ruzié, Christian; Werzer, Oliver; Sferrazza, Michele

2015-01-28

Substrate-induced phases (SIPs) are polymorphic phases that are found in thin films of a material and are different from the single crystal or "bulk" structure of a material. In this work, we investigate the presence of a SIP in the family of [1]benzothieno[3,2-b]benzothiophene (BTBT) organic semiconductors and the effect of aging and solvent vapor annealing on the film structure. Through extensive X-ray structural investigations of spin coated films, we find a SIP with a significantly different structure to that found in single crystals of the same material forms; the SIP has a herringbone motif while single crystals display layered π-π stacking. Over time, the structure of the film is found to slowly convert to the single crystal structure. Solvent vapor annealing initiates the same structural evolution process but at a greatly increased rate, and near complete conversion can be achieved in a short period of time. As properties such as charge transport capability are determined by the molecular structure, this work highlights the importance of understanding and controlling the structure of organic semiconductor films and presents a simple method to control the film structure by solvent vapor annealing.

Broadband one-dimensional photonic crystal wave plate containing single-negative materials.

PubMed

Chen, Yihang

2010-09-13

The properties of the phase shift of wave reflected from one-dimensional photonic crystals consisting of periodic layers of single-negative (permittivity- or permeability-negative) materials are demonstrated. As the incident angle increases, the reflection phase shift of TE wave decreases, while that of TM wave increases. The phase shifts of both polarized waves vary smoothly as the frequency changes across the photonic crystal stop band. Consequently, the difference between the phase shift of TE and that of TM wave could remain constant in a rather wide frequency range inside the stop band. These properties are useful to design wave plate or retarder which can be used in wide spectral band. In addition, a broadband photonic crystal quarter-wave plate is proposed.

Energy efficient engine high-pressure turbine single crystal vane and blade fabrication technology report

NASA Technical Reports Server (NTRS)

Giamei, A. F.; Salkeld, R. W.; Hayes, C. W.

1981-01-01

The objective of the High-Pressure Turbine Fabrication Program was to demonstrate the application and feasibility of Pratt & Whitney Aircraft-developed two-piece, single crystal casting and bonding technology on the turbine blade and vane configurations required for the high-pressure turbine in the Energy Efficient Engine. During the first phase of the program, casting feasibility was demonstrated. Several blade and vane halves were made for the bonding trials, plus solid blades and vanes were successfully cast for materials evaluation tests. Specimens exhibited the required microstructure and chemical composition. Bonding feasibility was demonstrated in the second phase of the effort. Bonding yields of 75 percent for the vane and 30 percent for the blade were achieved, and methods for improving these yield percentages were identified. A bond process was established for PWA 1480 single crystal material which incorporated a transient liquid phase interlayer. Bond properties were substantiated and sensitivities determined. Tooling die materials were identified, and an advanced differential thermal expansion tooling concept was incorporated into the bond process.

An agent-based method for simulating porous fluid-saturated structures with indistinguishable components

NASA Astrophysics Data System (ADS)

Kashani, Jamal; Pettet, Graeme John; Gu, YuanTong; Zhang, Lihai; Oloyede, Adekunle

2017-10-01

Single-phase porous materials contain multiple components that intermingle up to the ultramicroscopic level. Although the structures of the porous materials have been simulated with agent-based methods, the results of the available methods continue to provide patterns of distinguishable solid and fluid agents which do not represent materials with indistinguishable phases. This paper introduces a new agent (hybrid agent) and category of rules (intra-agent rule) that can be used to create emergent structures that would more accurately represent single-phase structures and materials. The novel hybrid agent carries the characteristics of system's elements and it is capable of changing within itself, while also responding to its neighbours as they also change. As an example, the hybrid agent under one-dimensional cellular automata formalism in a two-dimensional domain is used to generate patterns that demonstrate the striking morphological and characteristic similarities with the porous saturated single-phase structures where each agent of the ;structure; carries semi-permeability property and consists of both fluid and solid in space and at all times. We conclude that the ability of the hybrid agent to change locally provides an enhanced protocol to simulate complex porous structures such as biological tissues which could facilitate models for agent-based techniques and numerical methods.

Single-wall carbon nanotubes and graphene oxide-based saturable absorbers for low phase noise mode-locked fiber lasers

PubMed Central

Li, Xiaohui; Wu, Kan; Sun, Zhipei; Meng, Bo; Wang, Yonggang; Wang, Yishan; Yu, Xuechao; Yu, Xia; Zhang, Ying; Shum, Perry Ping; Wang, Qi Jie

2016-01-01

Low phase noise mode-locked fiber laser finds important applications in telecommunication, ultrafast sciences, material science, and biology, etc. In this paper, two types of carbon nano-materials, i.e. single-wall carbon nanotube (SWNT) and graphene oxide (GO), are investigated as efficient saturable absorbers (SAs) to achieve low phase noise mode-locked fiber lasers. Various properties of these wall-paper SAs, such as saturable intensity, optical absorption and degree of purity, are found to be key factors determining the performance of the ultrafast pulses. Reduced-noise femtosecond fiber lasers based on such carbon-based SAs are experimentally demonstrated, for which the phase noise has been reduced by more than 10 dB for SWNT SAs and 8 dB for GO SAs at 10 kHz. To the best of our knowledge, this is the first investigation on the relationship between different carbon material based SAs and the phase noise of mode-locked lasers. This work paves the way to generate high-quality low phase noise ultrashort pulses in passively mode-locked fiber lasers. PMID:27126900

Tunable phase transition in single-layer TiSe2 via electric field

NASA Astrophysics Data System (ADS)

Liu, Lei; Zhuang, Houlong L.

2018-06-01

Phase transition represents an intriguing physical phenomenon that exists in a number of single-layer transition-metal dichalcogenides. This phenomenon often occurs below a critical temperature and breaks the long-range crystalline order leading to a reconstructed superstructure called the charge-density wave (CDW) structure, which can therefore be recovered by external stimuli such as temperature. Alternatively, we show here that another external stimulation, electric field can also result in the phase transition between the regular and CDW structures of a single-layer transition-metal dichalcogenide. We used single-layer TiSe2 as an example to elucidate the mechanism of the CDW followed by calculations of the electronic structure using a hybrid density functional. We found that applying electric field can tune the phase transition between the 1T and CDW phases of single-layer TiSe2. Our work opens up a route of tuning the phase transition of single-layer materials via electric field.

Enhancing heat capacity of colloidal suspension using nanoscale encapsulated phase-change materials for heat transfer.

PubMed

Hong, Yan; Ding, Shujiang; Wu, Wei; Hu, Jianjun; Voevodin, Andrey A; Gschwender, Lois; Snyder, Ed; Chow, Louis; Su, Ming

2010-06-01

This paper describes a new method to enhance the heat-transfer property of a single-phase liquid by adding encapsulated phase-change nanoparticles (nano-PCMs), which absorb thermal energy during solid-liquid phase changes. Silica-encapsulated indium nanoparticles and polymer-encapsulated paraffin (wax) nanoparticles have been made using colloid method, and suspended into poly-alpha-olefin (PAO) and water for potential high- and low-temperature applications, respectively. The shells prevent leakage and agglomeration of molten phase-change materials, and enhance the dielectric properties of indium nanoparticles. The heat-transfer coefficients of PAO containing indium nanoparticles (30% by mass) and water containing paraffin nanoparticles (10% by mass) are 1.6 and 1.75 times higher than those of corresponding single-phase fluids. The structural integrity of encapsulation allows repeated use of such nanoparticles for many cycles in high heat generating devices.

Magnetic field controlled floating-zone single crystal growth of intermetallic compounds

NASA Astrophysics Data System (ADS)

Hermann, R.; Gerbeth, G.; Priede, J.

2013-03-01

Radio-frequency (RF) floating zone single crystal growth is an important technique for the preparation of single bulk crystals. The advantage of the floating-zone method is the crucible-free growth of single crystals of reactive materials with high melting points. The strong heat diffusion on the surface, as well as the melt convection in the molten zone due to induction heating, often leads to an undesired solid-liquid interface geometry with a concave (towards the solid phase) outer rim. These concave parts aggravate the single crystal growth over the full cross-section. A two-phase stirrer was developed at IFW Dresden in order to avoid the problems connected with these concave parts. It acts as a magnetic field pump and changes the typical double vortex structure to a single roll structure, thus pushing hot melt into the regions where the concave parts may arise. The current in the secondary coil is induced by the primary coil, and the capacitor and the resistance of the secondary circuit are adjusted to get a stable 90 degree phase-shift between the coil currents. Single crystal growth of industrial relevant RuAl and TiAl intermetallic compounds was performed based on the material parameters and using the adjusted two-phase stirrer. Very recently, the magnetic system was applied to the crystal growth of biocompatible TiNb alloys and antiferromagnetic Heusler MnSi compounds.

Porous and Phase Change Nanomaterials For Photonic Applications

DTIC Science & Technology

2014-08-28

two phase composite material can be considered as a single effective medium with a characteristic dielectric constant that is a weighted average of...reported that a phase transition could be trig- gered by electrical stimuli using a short current pulse to heat the material past the critical 12 29...in effective index, or phase ∆φ . When placed inside an optical cavity, such as an ultra-compact micro -ring resonator (R = 1.5 µm, Fig. 5.1.b), a short

X-ray diffraction tomography of polycrystalline materials: present and future (Conference Presentation)

NASA Astrophysics Data System (ADS)

Stock, Stuart R.; Almer, Jonathan D.; Birkedal, Henrik

2016-10-01

Scattered x-radiation can be used for computed tomographic reconstruction of the distribution of crystallographic phases within the interior of specimens, and diffraction patterns can be measured for each volume element (voxel) within a reconstructed slice. This modality has been applied to systems as diverse as mineralized tissues and inorganic composites. Use of high energy x-rays (E < 40 keV) offers advantages including the ability to study volumes deep with specimens and to sample large ranges of reciprocal space, i.e., many reflections. The bases of diffraction tomography are reviewed, and the power of the technique is illustrated by the results obtained for specimens containing: a) different materials (SiC/Al composite), b) different polytypes (calcite/aragonite in a bivalve attachment system); c) mixtures of nanocrystalline and amorphous phases; d) a single phase, but volumes with different lattice parameters (hydroxyapatite, hAp, the mineral in bone and tooth); e) a single phase containing a spatial distribution of crystallographic texture (bone); a single phase with a spatial distribution of strains produced by in situ loading (bone). Finally, challenges and future directions are discussed.

Study of LPE methods for growth of InGaAsP/InP CW lasers

NASA Technical Reports Server (NTRS)

Ladany, I.; Hawrylo, F. Z.; Smith, R. T.; Levin, E. R.

1980-01-01

Two methods for liquid phase growth of InGaAsP/InP lasers were studied. Single phase growth, based on saturated melts and 5 C supercooling, was compared to two phase growth excess InP and 20 C nominal supercooling. Substrates cut on the (100) plane were used, and morphology in both cases was excellent and comparable to that obtainable in AlGaAs materials. A high degree of reproducibility was obtained in the materials grown by the two phased method, which is therefore presently preferred for the preparation of laser material. A refractive index step of 0.28 and an index n = 3.46 were obtained for In.81Ga.19As,5P5 lasing at 1.3 microns. Oxide-stripe lasers with typical room temperature cw threshold currents of 180 mA were obtained and some of them showed single mode behavior without lateral cavity modifications. COntinuous operation of 800 h at room temperature was obtained without noticeable degradation.

Nanocomposites for ultra high density information storage, devices including the same, and methods of making the same

DOEpatents

Goyal, Amit; Shin, Junsoo

2014-04-01

A nanocomposite article that includes a single-crystal or single-crystal-like substrate and heteroepitaxial, phase-separated layer supported by a surface of the substrate and a method of making the same are described. The heteroepitaxial layer can include a continuous, non-magnetic, crystalline, matrix phase, and an ordered, magnetic magnetic phase disposed within the matrix phase. The ordered magnetic phase can include a plurality of self-assembled crystalline nanostructures of a magnetic material. The phase-separated layer and the single crystal substrate can be separated by a buffer layer. An electronic storage device that includes a read-write head and a nanocomposite article with a data storage density of 0.75 Tb/in.sup.2 is also described.

Directed self-assembly of liquid crystalline blue-phases into ideal single-crystals

NASA Astrophysics Data System (ADS)

Martínez-González, Jose A.; Li, Xiao; Sadati, Monirosadat; Zhou, Ye; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

2017-06-01

Chiral nematic liquid crystals are known to form blue phases--liquid states of matter that exhibit ordered cubic arrangements of topological defects. Blue-phase specimens, however, are generally polycrystalline, consisting of randomly oriented domains that limit their performance in applications. A strategy that relies on nano-patterned substrates is presented here for preparation of stable, macroscopic single-crystal blue-phase materials. Different template designs are conceived to exert control over different planes of the blue-phase lattice orientation with respect to the underlying substrate. Experiments are then used to demonstrate that it is indeed possible to create stable single-crystal blue-phase domains with the desired orientation over large regions. These results provide a potential avenue to fully exploit the electro-optical properties of blue phases, which have been hindered by the existence of grain boundaries.

Effect of Process Parameter on Barium Titanate Stannate (BTS) Materials Sintered at Low Sintering

NASA Astrophysics Data System (ADS)

Shukla, Alok; Bajpai, P. K.

2011-11-01

Ba(Ti1-xSnx)O3 solid solutions with (x = 0.15, 0.20, 0.30 and 0.40) are synthesized using conventional solid state reaction method. Formation of solid solutions in the range 0 ≤ x ≤0.40 is confirmed using X-ray diffraction technique. Single phase solid solutions with homogeneous grain distribution are observed at relatively low sintering by controlling process parameters viz. sintering time. Composition at optimized temperature (1150 °C) sintered by varying the sintering time, stabilize in cubic perovskite phase. The % experimental density increase with increasing the time of sintering instead of increasing sintering temperature. The lattice parameter increases by increasing the tin composition in the material. This demonstrates that process parameter optimization can lead to single phase at relatively lower sintering-a major advantage for the materials used as capacitor element in MLCC.

Processing, phase equilibria and environmental degradation of molybdenum (silicom,aluminum)(2) intermetallic compound

NASA Astrophysics Data System (ADS)

Eason, Paul Duane

The Mo(Si,Al)2 C40 compound was chosen for investigation as a possible high temperature structural material. To produce the C40 phase, several processing routes were explored with emphasis on obtaining microstructure/property relationships (i.e. control of grain size and minimization of secondary phases). To facilitate processing of single phase material, the phase equilibria of the Mo-Si-Al ternary system were reevaluated with respect to the phases adjacent to the C40 compound. An anomalous environmental degradation appeared to be the primary obstacle to further study of the compound and was investigated accordingly. Several processing routes were assessed for the production of dense, nearly single-phase Mo(Si,Al)2. Hot powder compaction was chosen as the method of sample production as is the case with many refractory silicide based materials. Therefore, variations in the processing techniques came from the choice of precursor materials and methods of powder production. Mechanical alloying, arc-melting and comminution, and blending of both elemental and compound powders were all employed to produce charges for hot uniaxial pressing. The final compacts were compared on the basis of density, grain size and presence of secondary phases. Establishment of a Mo-Si-Al ternary isothermal phase diagram at 1400°C was performed. Multiphase alloy compositions were selected to identify the phase boundaries of the C40, C54, T1 and Mo3Al8 phase fields, as well as to verify the existence of the C54 phase at 1400°C. The alloys were equilibrated by heat treatment and analyzed for phase identification and quantitative compositional information. The environmental degradation phenomenon was approached as a classical "pest" with an emphasis of study on grain boundary chemistry and atmospheric dependence of attack. Both Auger spectroscopy and electron microscopy revealed carbon-impurity-induced grain boundary segregation responsible for the embrittlement and material loss. Means of preventing the attack by alloying techniques used in traditional alloys were explored.

Laser-induced phase separation of silicon carbide

PubMed Central

Choi, Insung; Jeong, Hu Young; Shin, Hyeyoung; Kang, Gyeongwon; Byun, Myunghwan; Kim, Hyungjun; Chitu, Adrian M.; Im, James S.; Ruoff, Rodney S.; Choi, Sung-Yool; Lee, Keon Jae

2016-01-01

Understanding the phase separation mechanism of solid-state binary compounds induced by laser–material interaction is a challenge because of the complexity of the compound materials and short processing times. Here we present xenon chloride excimer laser-induced melt-mediated phase separation and surface reconstruction of single-crystal silicon carbide and study this process by high-resolution transmission electron microscopy and a time-resolved reflectance method. A single-pulse laser irradiation triggers melting of the silicon carbide surface, resulting in a phase separation into a disordered carbon layer with partially graphitic domains (∼2.5 nm) and polycrystalline silicon (∼5 nm). Additional pulse irradiations cause sublimation of only the separated silicon element and subsequent transformation of the disordered carbon layer into multilayer graphene. The results demonstrate viability of synthesizing ultra-thin nanomaterials by the decomposition of a binary system. PMID:27901015

Electron interactions, spin-orbit coupling, intersite correlations in pyrochlore iridates: a comparison of single-site and cluster calculations

NASA Astrophysics Data System (ADS)

Wang, Runzhi; Go, Ara; Millis, Andrew

Pyrochlore iridates (R2 Ir2O7) are studied using density functional theory plus single-site and cluster dynamical mean-field theory (DFT+DMFT). The calculations include spin-orbit coupling. Significant differences between the single-site and cluster calculations are found. The single-site approximation fails to account for the properties of the paramagnetic insulator phase, in particular predicting a larger gap than found in experiments, while cluster calculations yield gaps consistent with transport data. A ground-state phase diagram is computed. Paramagnetic metal, metallic all-in/all-out (AIAO) and insulating AIAO phases are found. Tilted Weyl cones are observed in the AIAO metallic phase for a relatively wide range of interaction strength. Our paramagnetic calculations predict almost identical behaviors for the Y and Eu compound, conflicting with the strong material dependence reported in experiments. Inclusion of magnetic order restores the material difference. The physical origin of the difference is discussed. The results indicate that intersite effects, most likely of antiferromagnetic origin, play an important role in studying the physics of pyrochlore iridates. This work is supported by DOE-ER046169.

Sea urchin spine calcite forms via a transient amorphous calcium carbonate phase.

PubMed

Politi, Yael; Arad, Talmon; Klein, Eugenia; Weiner, Steve; Addadi, Lia

2004-11-12

The skeletons of adult echinoderms comprise large single crystals of calcite with smooth convoluted fenestrated morphologies, raising many questions about how they form. By using water etching, infrared spectroscopy, electron diffraction, and environmental scanning electron microscopy, we show that sea urchin spine regeneration proceeds via the initial deposition of amorphous calcium carbonate. Because most echinoderms produce the same type of skeletal material, they probably all use this same mechanism. Deposition of transient amorphous phases as a strategy for producing single crystals with complex morphology may have interesting implications for the development of sophisticated materials.

Phase formation and UV luminescence of Gd3+ doped perovskite-type YScO3

NASA Astrophysics Data System (ADS)

Shimizu, Yuhei; Ueda, Kazushige

2016-10-01

Synthesis of pure and Gd3+doped perovskite-type YScO3 was attempted by a polymerized complex (PC) method and solid state reaction (SSR) method. Crystalline phases and UV luminescence of samples were examined with varying heating temperatures. The perovskite-type single phase was not simply formed in the SSR method, as reported in some literatures, and two cubic C-type phases of starting oxide materials remained forming slightly mixed solid solutions. UV luminescence of Gd3+ doped samples increased with an increase in heating temperatures and volume of the perovskite-type phase. In contrast, a non-crystalline precursor was crystallized to a single C-type phase at 800 °C in the PC method forming a completely mixed solid solution. Then, the phase of perovskite-type YScO3 formed at 1200 °C and its single phase was obtained at 1400 °C. It was revealed that high homogeneousness of cations was essential to generate the single perovskite-phase of YScO3. Because Gd3+ ions were also dissolved into the single C-type phase in Gd3+ doped samples, intense UV luminescence was observed above 800 °C in both C-type phase and perovskite-type phase.

Molecular ways to nanoscale particles and films

NASA Astrophysics Data System (ADS)

Shen, H.; Mathur, S.

2002-06-01

Chemical routes for the synthesis of nanoparticles and films are proving to be highly efficient and versatile in tailoring the elemental combination and intrinsic properties of the target materials. The use of molecular compounds allows a controlled interaction of atoms or molecules, when compared to the solid-state methods, resulting in the formation of compositionally homogeneous deposits or uniform solid particles. Assembling all the elements forming the material in a single molecular compound, the so-called single-source approach augments the formation of nanocrystalline phases at low temperatures with atomically precise structures. To this end, we have shown that predefined reaction (decomposition) chemistry of precursors enforces a molecular level homogeneity in the obtained materials. Following the single-step conversions of appropriate molecular sources, we have obtained films and nanoparticles of oxides (Fe3O4, BaTiO3, ZnAl2O4, CoAl2O4), metal/oxide composites (Ge/GeO2) and ceramic-ceramic composites (LnAIO3/AI2O3; Ln = Pr, Nd). For a comparative evaluation, CoAl2O4 nanoparticles were prepared by both single- and multi-component routes; whereas the single-source approach yielded monophasic high purity spinels, phase contamination, due to monometal phases, was observed in the ceramic obtained from multicomponent mixture. An account of the size-controlled synthesis and characterisation of the new ceramics and composites is presented.

Phase Sensitive Measurements of Ferromagnetic Josephson Junctions for Cryogenic Memory Applications

NASA Astrophysics Data System (ADS)

Niedzielski, Bethany Maria

A Josephson junction is made up of two superconducting layers separated by a barrier. The original Josephson junctions, studied in the early 1960's, contained an insulating barrier. Soon thereafter, junctions with normal-metal barriers were also studied. Ferromagnetic materials were not even theoretically considered as a barrier layer until around 1980, due to the competing order between ferromagnetic and superconducting systems. However, many exciting physical phenomena arise in hybrid superconductor/ferromagnetic devices, including devices where the ground state phase difference between the two superconductors is shifted by pi. Since their experimental debut in 2001, so-called pi junctions have been demonstrated by many groups, including my own, in systems with a single ferromagnetic layer. In this type of system, the phase of the junction can be set to either 0 or pi depending on the thickness of the ferromagnetic layer. Of interest, however, is the ability to control the phase of a single junction between the 0 and pi states. This was theoretically shown to be possible in a system containing two ferromagnetic layers (spin-valve junctions). If the materials and their thicknesses are properly chosen to manipulate the electron pair correlation function, then the phase state of a spin-valve Josephson junction should be capable of switching between the 0 and ? phase states when the magnetization directions of the two ferromagnetic layers are oriented in the antiparallel and parallel configurations, respectively. Such a phase-controllable junction would have immediate applications in cryogenic memory, which is a necessary component to an ultra-low power superconducting computer. A fully superconducting computer is estimated to be orders of magnitude more energy-efficient than current semiconductor-based supercomputers. The goal of this work was to experimentally verify this prediction for a phase-controllable ferromagnetic Josephson junction. To address this complicated system, first, studies of junctions with only a single ferromagnetic junction were required to determine the 0-pi transition thickness of that material, the decay of the critical current through the junction with thickness, and the switching field of the material. The materials studied included NiFeMo, NiFe, Ni, and NiFeCo. Additionally, roughness studies of several different superconducting base electrodes and normal metal buffer and spacer layers were performed to determine the optimum junction layers. The ferromagnetic layers used were on the order of 1-2 nm thick, so a smooth growth template is imperative to maintain continuous films with in-plane magnetizations. Lastly, single junction spin-valve samples were studied. We are not equipped to measure the phase of a single junction, but series of samples where one ferromagnetic layer is systematically varied in thickness can inform the proper thicknesses needed for 0-pi switching based on relative critical current values between the parallel and antiparallel magnetic configurations. Utilizing this background information, two spin-valve samples were incorporated in a superconducting loop so that the relative phase of the two junctions could be investigated. Through this process, the first phase-controllable ferromagnetic Josephson junctions were experimentally demonstrated using phase-sensitive measurement techniques. This provided the proof of concept for the Josephson Magnetic Random Access Memory (JMRAM), a superconducting memory system in development at Northrop Grumman, with whom we collaborate on this work. Phase-controllable systems were successfully demonstrated using two different magnetic material stacks and verified with several analysis techniques.

Criteria for predicting the formation of single-phase high-entropy alloys

DOE PAGES

Troparevsky, M Claudia; Morris, James R..; Kent, Paul R.; ...

2015-03-15

High entropy alloys constitute a new class of materials whose very existence poses fundamental questions. Originally thought to be stabilized by the large entropy of mixing, these alloys have attracted attention due to their potential applications, yet no model capable of robustly predicting which combinations of elements will form a single-phase currently exists. Here we propose a model that, through the use of high-throughput computation of the enthalpies of formation of binary compounds, is able to confirm all known high-entropy alloys while rejecting similar alloys that are known to form multiple phases. Despite the increasing entropy, our model predicts thatmore » the number of potential single-phase multicomponent alloys decreases with an increasing number of components: out of more than two million possible 7-component alloys considered, fewer than twenty single-phase alloys are likely.« less

Method of separating lignocellulosic material into lignin, cellulose and dissolved sugars

DOEpatents

Black, S.K.; Hames, B.R.; Myers, M.D.

1998-03-24

A method is described for separating lignocellulosic material into (a) lignin, (b) cellulose, and (c) hemicellulose and dissolved sugars. Wood or herbaceous biomass is digested at elevated temperature in a single-phase mixture of alcohol, water and a water-immiscible organic solvent (e.g., a ketone). After digestion, the amount of water or organic solvent is adjusted so that there is phase separation. The lignin is present in the organic solvent, the cellulose is present in a solid pulp phase, and the aqueous phase includes hemicellulose and any dissolved sugars.

Method of separating lignocellulosic material into lignin, cellulose and dissolved sugars

DOEpatents

Black, Stuart K.; Hames, Bonnie R.; Myers, Michele D.

1998-01-01

A method for separating lignocellulosic material into (a) lignin, (b) cellulose, and (c) hemicellulose and dissolved sugars. Wood or herbaceous biomass is digested at elevated temperature in a single-phase mixture of alcohol, water and a water-immiscible organic solvent (e.g., a ketone). After digestion, the amount of water or organic solvent is adjusted so that there is phase separation. The lignin is present in the organic solvent, the cellulose is present in a solid pulp phase, and the aqueous phase includes hemicellulose and any dissolved sugars.

Calcination and solid state reaction of ceramic-forming components to provide single-phase superconducting materials having fine particle size

DOEpatents

Balachandran, Uthamalingam; Poeppel, Roger B.; Emerson, James E.; Johnson, Stanley A.

1992-01-01

An improved method for the preparation of single phase, fine grained ceramic materials from precursor powder mixtures where at least one of the components of the mixture is an alkali earth carbonate. The process consists of heating the precursor powders in a partial vacuum under flowing oxygen and under conditions where the partial pressure of CO.sub.2 evolved during the calcination is kept to a very low level relative to the oxygen. The process has been found particularly suitable for the preparation of high temperature copper oxide superconducting materials such as YBa.sub.2 Cu.sub.3 O.sub.x "123" and YBa.sub.2 Cu.sub.4 O.sub.8 "124".

Problem of the thermodynamic status of the mixed-layer minerals

USGS Publications Warehouse

Zen, E.-A.

1962-01-01

Minerals that show mixed layering, particularly with the component layers in random sequence, pose problems because they may behave thermodynamically as single phases or as polyphase aggregates. Two operational criteria are proposed for their distinction. The first scheme requires two samples of mixed-layer material which differ only in the proportions of the layers. If each of these two samples are allowed to equilibrate with the same suitably chosen monitoring solution, then the intensive parameters of the solution will be invariant if the mixed-layer sample is a polyphase aggregate, but not otherwise. The second scheme makes use of the fact that portions of many titration curves of clay minerals show constancy of the chemical activities of the components in the equilibrating solutions, suggesting phase separation. If such phase separation occurs for a mixed-layer material, then, knowing the number of independent components in the system, it should be possible to decide on the number of phases the mixed-layer material represents. Knowledge of the phase status of mixed-layer material is essential to the study of the equilibrium relations of mineral assemblages involving such material, because a given mixed-layer mineral will be plotted and treated differently on a phase diagram, depending on whether it is a single phase or a polyphase aggregate. Extension of the titration technique to minerals other than the mixed-layer type is possible. In particular, this method may be used to determine if cryptoperthites and peristerites are polyphase aggregates. In general, for any high-order phase separation, the method may be used to decide just at what point in this continuous process the system must be regarded operationally as a polyphase aggregate. ?? 1962.

Unique Bond Breaking in Crystalline Phase Change Materials and the Quest for Metavalent Bonding.

PubMed

Zhu, Min; Cojocaru-Mirédin, Oana; Mio, Antonio M; Keutgen, Jens; Küpers, Michael; Yu, Yuan; Cho, Ju-Young; Dronskowski, Richard; Wuttig, Matthias

2018-05-01

Laser-assisted field evaporation is studied in a large number of compounds, including amorphous and crystalline phase change materials employing atom probe tomography. This study reveals significant differences in field evaporation between amorphous and crystalline phase change materials. High probabilities for multiple events with more than a single ion detected per laser pulse are only found for crystalline phase change materials. The specifics of this unusual field evaporation are unlike any other mechanism shown previously to lead to high probabilities of multiple events. On the contrary, amorphous phase change materials as well as other covalently bonded compounds and metals possess much lower probabilities for multiple events. Hence, laser-assisted field evaporation in amorphous and crystalline phase change materials reveals striking differences in bond rupture. This is indicative for pronounced differences in bonding. These findings imply that the bonding mechanism in crystalline phase change materials differs substantially from conventional bonding mechanisms such as metallic, ionic, and covalent bonding. Instead, the data reported here confirm a recently developed conjecture, namely that metavalent bonding is a novel bonding mechanism besides those mentioned previously. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Acoustical characterization and parameter optimization of polymeric noise control materials

NASA Astrophysics Data System (ADS)

Homsi, Emile N.

2003-10-01

The sound transmission loss (STL) characteristics of polymer-based materials are considered. Analytical models that predict, characterize and optimize the STL of polymeric materials, with respect to physical parameters that affect performance, are developed for single layer panel configuration and adapted for layered panel construction with homogenous core. An optimum set of material parameters is selected and translated into practical applications for validation. Sound attenuating thermoplastic materials designed to be used as barrier systems in the automotive and consumer industries have certain acoustical characteristics that vary in function of the stiffness and density of the selected material. The validity and applicability of existing theory is explored, and since STL is influenced by factors such as the surface mass density of the panel's material, a method is modified to improve STL performance and optimize load-bearing attributes. An experimentally derived function is applied to the model for better correlation. In-phase and out-of-phase motion of top and bottom layers are considered. It was found that the layered construction of the co-injection type would exhibit fused planes at the interface and move in-phase. The model for the single layer case is adapted to the layered case where it would behave as a single panel. Primary physical parameters that affect STL are identified and manipulated. Theoretical analysis is linked to the resin's matrix attribute. High STL material with representative characteristics is evaluated versus standard resins. It was found that high STL could be achieved by altering materials' matrix and by integrating design solution in the low frequency range. A suggested numerical approach is described for STL evaluation of simple and complex geometries. In practice, validation on actual vehicle systems proved the adequacy of the acoustical characterization process.

Combinatorial Study of the Li-Ni-Mn-Co Oxide Pseudoquaternary System for Use in Li-Ion Battery Materials Research.

PubMed

Brown, Colby R; McCalla, Eric; Watson, Cody; Dahn, J R

2015-06-08

Combinatorial synthesis has proven extremely effective in screening for new battery materials for Li-ion battery electrodes. Here, a study in the Li-Ni-Mn-Co-O system is presented, wherein samples with nearly 800 distinct compositions were prepared using a combinatorial and high-throughput method to screen for single-phase materials of high interest as next generation positive electrode materials. X-ray diffraction is used to determine the crystal structure of each sample. The Gibbs' pyramid representing the pseudoquaternary system was studied by making samples within three distinct pseudoternary planes defined at fractional cobalt metal contents of 10%, 20%, and 30% within the Li-Ni-Mn-Co-O system. Two large single-phase regions were observed in the system: the layered region (ordered rocksalt) and cubic spinel region; both of which are of interest for next-generation positive electrodes in lithium-ion batteries. These regions were each found to stretch over a wide range of compositions within the Li-Ni-Mn-Co-O pseudoquaternary system and had complex coexistence regions existing between them. The sample cooling rate was found to have a significant effect on the position of the phase boundaries of the single-phase regions. The results of this work are intended to guide further research by narrowing the composition ranges worthy of study and to illustrate the broad range of applications where solution-based combinatorial synthesis can have significant impact.

Enhanced thermoelectric performance driven by high-temperature phase transition in the phase change material Ge 4SbTe 5

DOE PAGES

Williams, Jared B.; Lara-Curzio, Edgar; Cakmak, Ercan; ...

2015-05-15

Phase change materials are identified for their ability to rapidly alternate between amorphous and crystalline phases and have large contrast in the optical/electrical properties of the respective phases. The materials are primarily used in memory storage applications, but recently they have also been identified as potential thermoelectric materials. Many of the phase change materials researched today can be found on the pseudo-binary (GeTe) 1-x(Sb 2Te 3) x tie-line. While many compounds on this tie-line have been recognized as thermoelectric materials, here we focus on Ge 4SbTe 5, a single phase compound just off of the (GeTe) 1-x(Sb 2Te 3) xmore » tie-line, that forms in a stable rocksalt crystal structure at room temperature. We find that stoichiometric and undoped Ge 4SbTe 5 exhibits a thermal conductivity of ~1.2 W/m-K at high temperature and a large Seebeck coefficient of ~250 μV/K. The resistivity decreases dramatically at 623 K due to a structural phase transition which lends to a large enhancement in both thermoelectric power factor and thermoelectric figure of merit at 823 K. In a more general sense the research presents evidence that phase change materials can potentially provide a new route to highly efficient thermoelectric materials for power generation at high temperature.« less

A High-Rate, Single-Crystal Model including Phase Transformations, Plastic Slip, and Twinning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Addessio, Francis L.; Bronkhorst, Curt Allan; Bolme, Cynthia Anne

2016-08-09

An anisotropic, rate-­dependent, single-­crystal approach for modeling materials under the conditions of high strain rates and pressures is provided. The model includes the effects of large deformations, nonlinear elasticity, phase transformations, and plastic slip and twinning. It is envisioned that the model may be used to examine these coupled effects on the local deformation of materials that are subjected to ballistic impact or explosive loading. The model is formulated using a multiplicative decomposition of the deformation gradient. A plate impact experiment on a multi-­crystal sample of titanium was conducted. The particle velocities at the back surface of three crystal orientationsmore » relative to the direction of impact were measured. Molecular dynamics simulations were conducted to investigate the details of the high-­rate deformation and pursue issues related to the phase transformation for titanium. Simulations using the single crystal model were conducted and compared to the high-­rate experimental data for the impact loaded single crystals. The model was found to capture the features of the experiments.« less

Electron-electron correlations in Raman spectra of VO2

NASA Astrophysics Data System (ADS)

Goncharuk, I. N.; Ilinskiy, A. V.; Kvashenkina, O. E.; Shadrin, E. B.

2013-01-01

It has been shown that, in single crystals and films of a strongly correlated material, namely, vanadium dioxide, upon a thermally stimulated phase transition from the low-temperature monoclinic phase to the high-temperature tetragonal phase, the narrow-line Raman spectrum of the insulating (monoclinic) phase transforms into the broad-band Raman spectrum, which contains two peaks at 500 and 5000 cm-1 with widths of 400 and 3500 cm-1, respectively. It has been found that, as the temperature of the monoclinic phase approaches the structural phase transition temperature (340 K), the line profile of soft-mode phonons at a frequency of 149 cm-1 with A g symmetry and the line profile of phonons at a frequency of 201 cm-1 with A g symmetry acquire an asymmetric shape with a Fano antiresonance that is characteristic of the interaction of a single phonon vibration with a continuum of strongly correlated electrons. It has been demonstrated that the thermal transformation of peaks in the Raman spectra of the VO2 metallic phase is in quantitative agreement with the theory of Raman scattering in strongly correlated materials.

Preparation, characterization and properties of ZnO nanomaterials

NASA Astrophysics Data System (ADS)

Luo, Jiaolian; Zhang, Xiaoming; Chen, Ruxue; Wang, Xiaohui; Zhu, Ji; Wang, Xiaomin

2017-06-01

In this paper, using the hydrothermal synthesis method, NaOH, Zn(NO3)2, anhydrous ethanol, deionized water as raw material to prepare ZnO nanomaterial, and by X ray diffraction (XRD), scanning electron microscopy (SEM) and photoluminescence spectroscopy (PL) on the synthesis of nano materials, surface morphology and phase luminescence characterization. The results show that the nano materials synthesized for single-phase ZnO, belonging to the six wurtzite structure; material surface shaped, arranged evenly distributed, and were the top six party structure; ZnO nano materials synthesized with strong emission spectra, emission peak is located at 394nm.

Synthesis of a single phase of high-entropy Laves intermetallics in the Ti-Zr-V-Cr-Ni equiatomic alloy

NASA Astrophysics Data System (ADS)

Yadav, T. P.; Mukhopadhyay, Semanti; Mishra, S. S.; Mukhopadhyay, N. K.; Srivastava, O. N.

2017-12-01

The high-entropy Ti-Zr-V-Cr-Ni (20 at% each) alloy consisting of all five hydride-forming elements was successfully synthesised by the conventional melting and casting as well as by the melt-spinning technique. The as-cast alloy consists entirely of the micron size hexagonal Laves Phase of C14 type; whereas, the melt-spun ribbon exhibits the evolution of nanocrystalline Laves phase. There was no evidence of any amorphous or any other metastable phases in the present processing condition. This is the first report of synthesising a single phase of high-entropy complex intermetallic compound in the equiatomic quinary alloy system. The detailed characterisation by X-ray diffraction, scanning and transmission electron microscopy and energy-dispersive X-ray spectroscopy confirmed the existence of a single-phase multi-component hexagonal C14-type Laves phase in all the as-cast, melt-spun and annealed alloys. The lattice parameter a = 5.08 Å and c = 8.41 Å was determined from the annealed material (annealing at 1173 K). The thermodynamic calculations following the Miedema's approach support the stability of the high-entropy multi-component Laves phase compared to that of the solid solution or glassy phases. The high hardness value (8.92 GPa at 25 g load) has been observed in nanocrystalline high-entropy alloy ribbon without any cracking. It implies that high-yield strength ( 3.00 GPa) and the reasonable fracture toughness can be achieved in this high-entropy material.

Modeling of Shock Waves with Multiple Phase Transitions in Condensed Materials

NASA Astrophysics Data System (ADS)

Missonnier, Marc; Heuzé, Olivier

2006-07-01

When a shock wave crosses a solid material and subjects it to solid-solid or solid-liquid phase transition, related phenomena occur: shock splitting, and the corresponding released shock wave after reflection. Modelling of these phenomena raises physical and numerical issues. After shock loading, such materials can reach different kinds of states: single-phase states, binary-phase states, and triple points. The thermodynamic path can be studied and easily understood in the (V,E) or (V,S) planes. In the case of 3 phase tin (β,γ, and liquid) submitted to shock waves, seven states can occur: β,γ, liquid, β-γ, β-liquid, γ-liquid, and β-γ-liquid. After studying the thermodynamic properties with a complete 3-phase Equation of State, we show the existence of these seven states with a hydrodynamic simulation.

Giant piezoelectric voltage coefficient in grain-oriented modified PbTiO 3 material

DOE PAGES

Yan, Yongke; Zhou, Jie E.; Maurya, Deepam; ...

2016-10-11

A rapid surge in the research on piezoelectric sensors is occurring with the arrival of the Internet of Things. Single-phase oxide piezoelectric materials with giant piezoelectric voltage coefficient (g, induced voltage under applied stress) and high Curie temperature (T c) are crucial towards providing desired performance for sensing, especially under harsh environmental conditions. Here, we report a grain-oriented (with 95% <001> texture) modified PbTiO 3 ceramic that has a high T c (364°C) and an extremely large g 33 (115 × 10 -3 Vm N -1) in comparison with other known single-phase oxide materials. Our results reveal that self-polarization duemore » to grain orientation along the spontaneous polarization direction plays an important role in achieving large piezoelectric response in a domain motion-confined material. Finally, the phase field simulations confirm that the large piezoelectric voltage coefficient g 33 originates from maximized piezoelectric strain coefficient d 33 and minimized dielectric permittivity ε 33 in [001]-textured PbTiO 3 ceramics where domain wall motions are absent.« less

Giant piezoelectric voltage coefficient in grain-oriented modified PbTiO3 material

PubMed Central

Yan, Yongke; Zhou, Jie E.; Maurya, Deepam; Wang, Yu U.; Priya, Shashank

2016-01-01

A rapid surge in the research on piezoelectric sensors is occurring with the arrival of the Internet of Things. Single-phase oxide piezoelectric materials with giant piezoelectric voltage coefficient (g, induced voltage under applied stress) and high Curie temperature (Tc) are crucial towards providing desired performance for sensing, especially under harsh environmental conditions. Here, we report a grain-oriented (with 95% <001> texture) modified PbTiO3 ceramic that has a high Tc (364 °C) and an extremely large g33 (115 × 10−3 Vm N−1) in comparison with other known single-phase oxide materials. Our results reveal that self-polarization due to grain orientation along the spontaneous polarization direction plays an important role in achieving large piezoelectric response in a domain motion-confined material. The phase field simulations confirm that the large piezoelectric voltage coefficient g33 originates from maximized piezoelectric strain coefficient d33 and minimized dielectric permittivity ɛ33 in [001]-textured PbTiO3 ceramics where domain wall motions are absent. PMID:27725634

Solid state proton and electron mediating membrane and use in catalytic membrane reactors

DOEpatents

White, J.H.; Schwartz, M.; Sammells, A.F.

1998-10-13

This invention provides catalytic proton and electron mediating membranes useful in catalytic reactors. The membranes have an oxidation and a reduction surface and comprise a single-phase mixed metal oxide material of the formula: AB{sub 1{minus}x}B{prime}{sub x}O{sub 3{minus}y} wherein A is selected from Ca, Sr or Ba ions; B is selected from Ce, Tb, Pr, or Th ions; B{prime} is selected from Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Al, Ga, or In ions, or combinations thereof; and x is greater than or equal to 0.02 and less than or equal to 0.5. The membranes can further comprise a catalyst on either the oxidation or reduction surface, or both. Membranes include those which are fabricated by combining powders of metal oxides or metal carbonates of metal A ion, metal B ion and metal B{prime} ion such that the stoichiometric ratio A:B:B{prime} is 1:1{minus}x:x where 0.2{<=}{times}0.5, repeatedly calcining and milling the combined powders until a single-phase material is obtained and pressing and sintering the single phase material to obtain a membrane. 6 figs.

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhuang, Houlong L.; Kent, P. R. C.; Hennig, Richard G.

Comore » mputationally characterizing magnetic properies of novel two-dimensional (2D) materials serves as an important first step of exploring possible applications. Using density-functional theory, we show that single-layer Fe 3 GeTe 2 is a potential 2D material with sufficiently low formation energy to be synthesized by mechanical exfoliation from the bulk phase with a van der Waals layered structure. In addition, we calculated the phonon dispersion demonstrating that single-layer Fe 3 GeTe 2 is dynamically stable. Furthermore, we find that similar to the bulk phase, 2D Fe 3 GeTe 2 exhibits amagnetic moment that originates from a Stoner instability. In contrast to other 2D materials, we find that single-layer Fe 3 GeTe 2 exhibits a significant uniaxial magnetocrystalline anisotropy energy of 920μ eV per Fe atom originating from spin-orbit coupling. In conclusion, we show that applying biaxial tensile strains enhances the anisotropy energy, which reveals strong magnetostriction in single-layer Fe 3 GeTe 2 with a sizable magneostrictive coefficient. Our results indicate that single-layer Fe 3 GeTe 2 is potentially useful for magnetic storage applications.« less

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

DOE PAGES

Zhuang, Houlong L.; Kent, P. R. C.; Hennig, Richard G.

2016-04-06

Comore » mputationally characterizing magnetic properies of novel two-dimensional (2D) materials serves as an important first step of exploring possible applications. Using density-functional theory, we show that single-layer Fe 3 GeTe 2 is a potential 2D material with sufficiently low formation energy to be synthesized by mechanical exfoliation from the bulk phase with a van der Waals layered structure. In addition, we calculated the phonon dispersion demonstrating that single-layer Fe 3 GeTe 2 is dynamically stable. Furthermore, we find that similar to the bulk phase, 2D Fe 3 GeTe 2 exhibits amagnetic moment that originates from a Stoner instability. In contrast to other 2D materials, we find that single-layer Fe 3 GeTe 2 exhibits a significant uniaxial magnetocrystalline anisotropy energy of 920μ eV per Fe atom originating from spin-orbit coupling. In conclusion, we show that applying biaxial tensile strains enhances the anisotropy energy, which reveals strong magnetostriction in single-layer Fe 3 GeTe 2 with a sizable magneostrictive coefficient. Our results indicate that single-layer Fe 3 GeTe 2 is potentially useful for magnetic storage applications.« less

Synthesis and Characterization of the First Liquid Single Source Precursors for the Deposition of Ternary Chalcopyrite (CuInS2) Thin Film Materials

NASA Technical Reports Server (NTRS)

Banger, Kulbinder K.; Cowen, Jonathan; Hepp, Aloysius

2002-01-01

Molecular engineering of ternary single source precursors based on the [{PBu3}2Cu(SR')2In(SR')2] architecture have afforded the first liquid CIS ternary single source precursors (when R = Et, n-Pr), which are suitable for low temperature deposition (< 350 C). Thermogravimetric analyses (TGA) and modulated-differential scanning calorimetry (DSC) confirm their liquid phase and reduced stability. X-ray diffraction studies, energy dispersive analyzer (EDS), and scanning electron microscopy (SEM) support the formation of the single-phase chalcopyrite CuInS2 at low temperatures.

Material appearance acquisition from a single image

NASA Astrophysics Data System (ADS)

Zhang, Xu; Cui, Shulin; Cui, Hanwen; Yang, Lin; Wu, Tao

2017-01-01

The scope of this paper is to present a method of material appearance acquisition(MAA) from a single image. In this paper, material appearance is represented by spatially varying bidirectional reflectance distribution function(SVBRDF). Therefore, MAA can be reduced to the problem of recovery of each pixel's BRDF parameters from an original input image, which include diffuse coefficient, specular coefficient, normal and glossiness based on the Blinn-Phone model. In our method, the workflow of MAA includes five main phases: highlight removal, estimation of intrinsic images, shape from shading(SFS), initialization of glossiness and refining SVBRDF parameters based on IPOPT. The results indicate that the proposed technique can effectively extract the material appearance from a single image.

Bottom-up on-crystal in-chip formation of a conducting salt and a view of its restructuring: from organic insulator to conducting "switch" through microfluidic manipulation.

PubMed

Puigmartí-Luis, Josep; Paradinas, Markos; Bailo, Elena; Rodriguez-Trujillo, Romen; Pfattner, Raphael; Ocal, Carmen; Amabilino, David B

2015-06-01

The chemical modification of an immobilized single crystal in a fluid cell is reported, whereby a material with switching functions is generated in situ by generating a chemical reagent in the flow. Crystals of the insulating organic crystal of TCNQ (tetracyanoquinodimethane) were grown in a microfluidic channel and were trapped using a pneumatic valve, a nascent technique for materials manipulation. They were subsequently reduced using solution-deposited silver to provide a conducting material in situ by a heterogeneous reaction. Removal of the new material from the chip proved it to be the silver salt of reduced TCNQ. Uniquely, conducting atomic force microscope (CAFM) studies show three regions in the solid. The localized original neutral organic material crystal is shown to be an insulator but to produce areas with Ohmic conducting characteristics after reduction. This inhomogeneous doping provides an opportunity for probing electrical materials properties side by side. Measurements with the CAFM witness this conducting material where the TCNQ is fully transformed to the silver salt. Additionally, an intermediate phase is observed that exhibits bipolar resistive switching typical of programmable resistive memories. Raman microscopy proves the conversion of the material in specific regions and clearly defines the intermediate phase region that could be responsible for the switching effect in related materials. This kind of "on crystal chemistry" exploiting immobilization and masking by a pneumatic clamp in a microfluidic channel shows how material can be selectively converted to give different functionalities in the same material piece, even though it is not a single crystal to single crystal conversion, and beckons exploitation for the preparation of systems relevant for molecular electronics as well as other areas where chemical manipulation of single crystals could be beneficial.

Directed Self-Assembly of Liquid Crystalline Blue-Phases into Ideal Single-Crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martinez-Gonzalez, Jose A.; Li, Xiao; Sadati, Monirosadat

Chiral nematic liquid crystals are known to form blue phases—liquid states of matter that exhibit ordered cubic arrangements of topological defects. Blue-phase specimens, however, are generally polycrystalline, consisting of randomly oriented domains that limit their performance in applications. A strategy that relies on nano-patterned substrates is presented here for preparation of stable, macroscopic single-crystal blue-phase materials. Different template designs are conceived to exert control over different planes of the blue-phase lattice orientation with respect to the underlying substrate. Experiments are then used to demonstrate that it is indeed possible to create stable single-crystal blue-phase domains with the desired orientation overmore » large regions. Lastly, these results provide a potential avenue to fully exploit the electro-optical properties of blue phases, which have been hindered by the existence of grain boundaries.« less

Directed Self-Assembly of Liquid Crystalline Blue-Phases into Ideal Single-Crystals

DOE PAGES

Martinez-Gonzalez, Jose A.; Li, Xiao; Sadati, Monirosadat; ...

2017-06-16

Chiral nematic liquid crystals are known to form blue phases—liquid states of matter that exhibit ordered cubic arrangements of topological defects. Blue-phase specimens, however, are generally polycrystalline, consisting of randomly oriented domains that limit their performance in applications. A strategy that relies on nano-patterned substrates is presented here for preparation of stable, macroscopic single-crystal blue-phase materials. Different template designs are conceived to exert control over different planes of the blue-phase lattice orientation with respect to the underlying substrate. Experiments are then used to demonstrate that it is indeed possible to create stable single-crystal blue-phase domains with the desired orientation overmore » large regions. Lastly, these results provide a potential avenue to fully exploit the electro-optical properties of blue phases, which have been hindered by the existence of grain boundaries.« less

Crystal Structure Analysis of Electromagnetic Wave Absorber Material BaFe12-xTix/2Znx/2O19Based

NASA Astrophysics Data System (ADS)

Delina, M.; Nenni, N.; Adi, W. A.

2018-04-01

The optimization of BaFe12-xTix/2Znx/2O19 (x=2.2; 2.4; 2.6; 2.8)single phase composition have been performed. The materials were synthesized by solid state reaction method through mechanical milling technique.The materials were made from the mixture of oxide materials, which are BaCO3, Fe2O3, TiO2 and ZnO. The mixture was milled for five hours using a High Energy Milling (HEM), was dried at 100°C in the Oven and then was sintered at 1000°C for five hours in the Furnace. The phase identification of BaFe12-xTix/2Znx/2O19 (x=2.2; 2.4; 2.6; 2.8) were carried out by using a Match Program while the crystal structure analysis were investigated by using a General Structure Analysis System (GSAS) program. The refinement results of x-ray diffraction pattern showed that the sample of x ≤ 2.4 have a BaFe12O19 single phase while the sample of x> 2.4 have two phases, which are BaFe12O19 and ZnFe2O4 phases. The surface morphology of sample and the element of sample were identified through an analysis of Scanning Electron Microscope (SEM) and Energy Dispersive Spectroscopy (EDS) data.

Transient analysis of a thermal storage unit involving a phase change material

NASA Technical Reports Server (NTRS)

Griggs, E. I.; Pitts, D. R.; Humphries, W. R.

1974-01-01

The transient response of a single cell of a typical phase change material type thermal capacitor has been modeled using numerical conductive heat transfer techniques. The cell consists of a base plate, an insulated top, and two vertical walls (fins) forming a two-dimensional cavity filled with a phase change material. Both explicit and implicit numerical formulations are outlined. A mixed explicit-implicit scheme which treats the fin implicity while treating the phase change material explicitly is discussed. A band algorithmic scheme is used to reduce computer storage requirements for the implicit approach while retaining a relatively fine grid. All formulations are presented in dimensionless form thereby enabling application to geometrically similar problems. Typical parametric results are graphically presented for the case of melting with constant heat input to the base of the cell.

Large single domain 123 material produced by seeding with single crystal rare earth barium copper oxide single crystals

DOEpatents

Todt, V.; Miller, D.J.; Shi, D.; Sengupta, S.

1998-07-07

A method of fabricating bulk YBa{sub 2}Cu{sub 3}O{sub x} where compressed powder oxides and/or carbonates of Y and Ba and Cu present in mole ratios to form YBa{sub 2}Cu{sub 3}O{sub x} are heated in the presence of a Nd{sub 1+x}Ba{sub 2{minus}x}Cu{sub 3}O{sub y} seed crystal to a temperature sufficient to form a liquid phase in the YBa{sub 2}Cu{sub 3}O{sub x} while maintaining the seed crystal solid. The materials are slowly cooled to provide a YBa{sub 2}Cu{sub 3}O{sub x} material having a predetermined number of domains between 1 and 5. Crack-free single domain materials can be formed using either plate shaped seed crystals or cube shaped seed crystals with a pedestal of preferential orientation material. 7 figs.

Large single domain 123 material produced by seeding with single crystal rare earth barium copper oxide single crystals

DOEpatents

Todt, Volker; Miller, Dean J.; Shi, Donglu; Sengupta, Suvankar

1998-01-01

A method of fabricating bulk YBa.sub.2 Cu.sub.3 O.sub.x where compressed powder oxides and/or carbonates of Y and Ba and Cu present in mole ratios to form YBa.sub.2 Cu.sub.3 O.sub.x are heated in the presence of a Nd.sub.1+x Ba.sub.2-x Cu.sub.3 O.sub.y seed crystal to a temperature sufficient to form a liquid phase in the YBa.sub.2 Cu.sub.3 O.sub.x while maintaining the seed crystal solid. The materials are slowly cooled to provide a YBa.sub.2 Cu.sub.3 O.sub.x material having a predetermined number of domains between 1 and 5. Crack-free single domain materials can be formed using either plate shaped seed crystals or cube shaped seed crystals with a pedestal of preferential orientation material.

Origin of Reversible Photoinduced Phase Separation in Hybrid Perovskites.

PubMed

Bischak, Connor G; Hetherington, Craig L; Wu, Hao; Aloni, Shaul; Ogletree, D Frank; Limmer, David T; Ginsberg, Naomi S

2017-02-08

The distinct physical properties of hybrid organic-inorganic materials can lead to unexpected nonequilibrium phenomena that are difficult to characterize due to the broad range of length and time scales involved. For instance, mixed halide hybrid perovskites are promising materials for optoelectronics, yet bulk measurements suggest the halides reversibly phase separate upon photoexcitation. By combining nanoscale imaging and multiscale modeling, we find that the nature of halide demixing in these materials is distinct from macroscopic phase separation. We propose that the localized strain induced by a single photoexcited charge interacting with the soft, ionic lattice is sufficient to promote halide phase separation and nucleate a light-stabilized, low-bandgap, ∼8 nm iodide-rich cluster. The limited extent of this polaron is essential to promote demixing because by contrast bulk strain would simply be relaxed. Photoinduced phase separation is therefore a consequence of the unique electromechanical properties of this hybrid class of materials. Exploiting photoinduced phase separation and other nonequilibrium phenomena in hybrid materials more generally could expand applications in sensing, switching, memory, and energy storage.

Imaging the Hydrogen Absorption Dynamics of Individual Grains in Polycrystalline Palladium Thin Films in 3D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yau, Allison; Harder, Ross J.; Kanan, Matthew W.

Defects such as dislocations and grain boundaries often control the properties of polycrystalline materials. In nanocrystalline materials, investigating this structure-function relationship while preserving the sample remains challenging because of the short length scales and buried interfaces involved. Here we use Bragg coherent diffractive imaging to investigate the role of structural inhomogeneity on the hydriding phase transformation dynamics of individual Pd grains in polycrystalline films in three-dimensional detail. In contrast to previous reports on single- and polycrystalline nanoparticles, we observe no evidence of a hydrogen-rich surface layer and consequently no size dependence in the hydriding phase transformation pressure over a 125-325more » nm size range. We do observe interesting grain boundary dynamics, including reversible rotations of grain lattices while the material remains in the hydrogen-poor phase. The mobility of the grain boundaries, combined with the lack of a hydrogen-rich surface layer, suggests that the grain boundaries are acting as fast diffusion sites for the hydrogen atoms. Such hydrogen-enhanced plasticity in the hydrogen poor phase provides insight into the switch from the size-dependent behavior of single-crystal nanoparticles to the lower transformation pressures of polycrystalline materials and may play a role in hydrogen embrittlement.« less

Ammonium nitrate-polymer glasses: a new concept for phase and thermal stabilization of ammonium nitrate.

PubMed

Lang, Anthony J; Vyazovkin, Sergey

2008-09-11

Dissolving of ammonium nitrate in highly polar polymers such as poly(vinylpyrrolidone) and/or poly(acrylamide) can result in the formation of single-phase glassy solid materials, in which NH 4 (+) and NO 3 (-) are separated through an ion-dipole interaction with the polymer matrix. Below the glass transition temperature of the polymer matrix the resulting materials remain phase and thermally stable as demonstrated through the absence of decomposition as well as the solid-solid transitions and melting of ammonium nitrate. The structure of the materials is explored by Fourier transform infrared spectroscopy and density functional calculations. Differential scanning calorimetry, thermogravimetry, and isoconversional kinetic analysis are applied to characterize the thermal behavior of the materials.

In Situ X-ray Diffraction Studies of Li(sub x)Mn(sub 2)O(sub 4) Cathode Materials by Synchrotron X-ray Radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, X. Q.; Sun, X.; Lee, S. J.

In Situ x-ray diffraction studies on Li{sub x}Mn{sub 2}O{sub 4} spinel cathode materials during charge-discharge cycles were carried out by using a synchrotron as x-ray source. Lithium rich (x = 1.03-1.06) spinel materials obtained from two different sources were studied. Three cubic phases with different lattice constants were observed during charge-discharge cycles in all the samples when a Sufficiently low charge-discharge rate (C/10) was used. There are two regions of two-phase coexistence between these three phases, indicating that both phase transitions are first order. The separation of the Bragg peaks representing these three phases varies from sample to sample andmore » also depends on the charge-discharge rate. These results show that the de-intercalation of lithium in lithium-rich spinel cathode materials proceeds through a series of phase transitions from a lithium-rich phase to a lithium-poor phase and finally to a {lambda}-MnO{sub 2} like cubic phase, rather than through a continuous lattice constant contraction in a single phase.« less

Single Sublattice Endotaxial Phase Separation Driven by Charge Frustration in a Complex Oxide

PubMed Central

2013-01-01

Complex transition-metal oxides are important functional materials in areas such as energy and information storage. The cubic ABO3 perovskite is an archetypal example of this class, formed by the occupation of small octahedral B-sites within an AO3 network defined by larger A cations. We show that introduction of chemically mismatched octahedral cations into a cubic perovskite oxide parent phase modifies structure and composition beyond the unit cell length scale on the B sublattice alone. This affords an endotaxial nanocomposite of two cubic perovskite phases with distinct properties. These locally B-site cation-ordered and -disordered phases share a single AO3 network and have enhanced stability against the formation of a competing hexagonal structure over the single-phase parent. Synergic integration of the distinct properties of these phases by the coherent interfaces of the composite produces solid oxide fuel cell cathode performance superior to that expected from the component phases in isolation. PMID:23750709

Development of a 20-MHz wide-bandwidth PMN-PT single crystal phased-array ultrasound transducer.

PubMed

Wong, Chi-Man; Chen, Yan; Luo, Haosu; Dai, Jiyan; Lam, Kwok-Ho; Chan, Helen Lai-Wa

2017-01-01

In this study, a 20-MHz 64-element phased-array ultrasound transducer with a one-wavelength pitch is developed using a PMN-30%PT single crystal and double-matching layer scheme. High piezoelectric (d 33 >1000pC/N) and electromechanical coupling (k 33 >0.8) properties of the single crystal with an optimized fabrication process involving the photolithography technique have been demonstrated to be suitable for wide-bandwidth (⩾70%) and high-sensitivity (insertion loss ⩽30dB) phased-array transducer application. A -6dBbandwidth of 91% and an insertion loss of 29dBfor the 20-MHz 64-element phased-array transducer were achieved. This result shows that the bandwidth is improved comparing with the investigated high-frequency (⩾20MHz) ultrasound transducers using piezoelectric ceramic and single crystal materials. It shows that this phased-array transducer has potential to improve the resolution of biomedical imaging, theoretically. Based on the hypothesis of resolution improvement, this phased-array transducer is capable for small animal (i.e. mouse and zebrafish) studies. Copyright © 2016 Elsevier B.V. All rights reserved.

Thin Film CuInS2 Prepared by Spray Pyrolysis with Single-Source Precursors

NASA Technical Reports Server (NTRS)

Jin, Michael H.; Banger, Kulinder K.; Harris, Jerry D.; Cowen, Jonathan E.; Hepp, Aloysius F.; Lyons, Valerie (Technical Monitor)

2002-01-01

Both horizontal hot-wall and vertical cold-wall atmospheric chemical spray pyrolysis processes deposited near single-phase stoichiometric CuInS2 thin films. Single-source precursors developed for ternary chalcopyrite materials were used for this study, and a new liquid phase single-source precursor was tested with a vertical cold-wall reactor. The depositions were carried out under an argon atmosphere, and the substrate temperature was kept at 400 C. Columnar grain structure was obtained with vapor deposition, and the granular structure was obtained with (liquid) droplet deposition. Conductive films were deposited with planar electrical resistivities ranging from 1 to 30 Omega x cm.

Tailoring the optical characteristics of microsized InP nanoneedles directly grown on silicon.

PubMed

Li, Kun; Sun, Hao; Ren, Fan; Ng, Kar Wei; Tran, Thai-Truong D; Chen, Roger; Chang-Hasnain, Connie J

2014-01-08

Nanoscale self-assembly offers a pathway to realize heterogeneous integration of III-V materials on silicon. However, for III-V nanowires directly grown on silicon, dislocation-free single-crystal quality could only be attained below certain critical dimensions. We recently reported a new approach that overcomes this size constraint, demonstrating the growth of single-crystal InGaAs/GaAs and InP nanoneedles with the base diameters exceeding 1 μm. Here, we report distinct optical characteristics of InP nanoneedles which are varied from mostly zincblende, zincblende/wurtzite-mixed, to pure wurtzite crystalline phase. We achieved, for the first time, pure single-crystal wurtzite-phase InP nanoneedles grown on silicon with bandgaps of 80 meV larger than that of zincblende-phase InP. Being able to attain excellent material quality while scaling up in size promises outstanding device performance of these nanoneedles. At room temperature, a high internal quantum efficiency of 25% and optically pumped lasing are demonstrated for single nanoneedle as-grown on silicon substrate. Recombination dynamics proves the excellent surface quality of the InP nanoneedles, which paves the way toward achieving multijunction photovoltaic cells, long-wavelength heterostructure lasers, and advanced photonic integrated circuits.

Domain switching in single-phase multiferroics

NASA Astrophysics Data System (ADS)

Jia, Tingting; Cheng, Zhenxiang; Zhao, Hongyang; Kimura, Hideo

2018-06-01

Multiferroics are a time-honoured research subject by reason for their tremendous application potential in the information industry, such as in multi-state information storage devices and new types of sensors. An outburst of studies on multiferroicity has been witnessed in the 21st century, although this field has a long research history since the 19th century. Multiferroicity has now become one of the hottest research topics in condensed matter physics and materials science. Numerous efforts have been made to investigate the cross-coupling phenomena among ferroic orders such as ferroelectricity, (anti-)ferromagnetism, and ferroelasticity, especially the coupling between electric and magnetic orderings that would account for the magnetoelectric (ME) effect in multiferroic materials. The magnetoelectric properties and coupling behavior of single phase multiferroics are dominated by their domain structures. It was also noted that, however, the multiferroic materials exhibit very complicated domain structures. Studies on domain structure characterization and domain switching are a crucial step in the exploration of approaches to the control and manipulation of magnetic (electric) properties using an electric (magnetic) field or other means. In this review, following a concise outline of our current basic knowledge on the magnetoelectric (ME) effect, we summarize some important research activities on domain switching in single-phase multiferroic materials in the form of single crystals and thin films, especially domain switching behavior involving strain and the related physics in the last decade. We also introduce recent developments in characterization techniques for domain structures of ferroelectric or multiferroic materials, which have significantly advanced our understanding of domain switching dynamics and interactions. The effects of a series of issues such as electric field, magnetic field, and stress effects on domain switching are been discussed as well. It is intended that an integrated viewpoint of these issues, as provided here, will further motivate synergistic activities between the various research groups and industry towards the development and characterization of multiferroic materials.

Highly oriented Bi-based thin films with zero resistance at 106 K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kula, W.; Sobolewski, R.; Gorecka, J.

1991-03-01

This paper reports on fabrication and characterization of nearly single-phase superconducting Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub x} thin films. The films were dc magnetron sputtered from heavily Pb-doped (Pb/Bi molar ratios up to 1.25), sintered targets on unheated MgO, SrTiO{sub 3}, CaNdAlO{sub 4}, and SrLaAlO{sub 4} single crystals. For the films grown on the (100) oriented MgO substrate, less than 1 hour of annealing in air at 870{degrees} C was sufficient to obtain more than 90% of the 110-K-phase material, with highly c-axis oriented crystalline structure and zero resistivity at 106 K. The films fabricated on the other substrates alsomore » exhibited a narrow superconducting transition and were fully superconducting above 100 K, but they consisted of a mixed-phase material with a large percentage of the 80 K phase.« less

Mechanical Alloying of W-Mo-V-Cr-Ta High Entropy Alloys

NASA Astrophysics Data System (ADS)

Das, Sujit; Robi, P. S.

2018-04-01

Recent years have seen the emergence of high-entropy alloys (HEAs) consisting of five or more elements in equi-atomic or near equi-atomic ratios. These alloys in single phase solid solution exhibit exceptional mechanical properties viz., high strength at room and elevated temperatures, reasonable ductility and stable microstructure over a wide range of temperatures making it suitable for high temperature structural materials. In spite of the attractive properties, processing of these materials remains a challenge. Reports regarding fabrication and characterisation of a few refractory HEA systems are available. The processing of these alloys have been carried out by arc melting of small button sized materials. The present paper discusses the development of a novel refractory W-Mo-V-Cr-Ta HEA powder based on a new alloy design concept. The powder mixture was milled for time periods up to 64 hours. Single phase alloy powder having body centred cubic structure was processed by mechanical alloying. The milling characteristics and extent of alloying during the ball milling were characterized using X-ray diffractiometre (XRD), field emission scanning electron microscope (FESEM) and transmission electron microscope (TEM). A single phase solid solution alloy powder having body-centred cubic (BCC) structure with a lattice parameter of 3.15486 Å was obtained after milling for 32 hours.

Study of the properties and the choice of alloys for bladed disks (blisks) and a method for their joining

NASA Astrophysics Data System (ADS)

Povarova, K. B.; Valitov, V. A.; Obsepyan, S. V.; Drozdov, A. A.; Bazyleva, O. A.; Valitova, E. V.

2014-09-01

The choice of materials for the bladed disks (blisks) that are intended for next-generation aviation gas turbine engines is grounded. As blade materials, single crystals of light heterophase γ' + γ VKNA-type alloys based on the γ'(Ni3Al) intermetallic compound with an ordered structure are proposed. The choice of novel deformable EP975-type nickel superalloys, which are intended for operation at 800-850°C, as the disk material is grounded. It is shown that the most effective method for forming one-piece joints of an Ni3Al-based alloy and a high-alloy EP975-type nickel superalloy is the new process of solid-phase pressure welding under conditions of high-temperature superplasticity. Solid-phase joints are formed for heterophase Ni3Al-based alloy single crystals and deformable EK61 and EP975 nickel alloys. The gradient structures in the zone of the solid-phase joints that form under the conditions of low- and high-temperature superplasticity at homologous temperatures of ˜0.6 T m and 0.9 T m are studied. The character and direction of the diffusion processes at the joint of an intermetallic alloy single crystal and a deformable polycrystalline alloy are determined.

Enhanced microwave absorption properties of CTAB assisted Pr-Cu substituted nanomaterial

NASA Astrophysics Data System (ADS)

Sadiq, Imran; Naseem, Shahzad; Riaz, Saira; Khan, Hasan M.; Ashiq, Muhammad Naeem; Hussain, S. Sajjad; Rana, Mazhar

2016-09-01

In this study, the rare earth Pr3+and divalent Cu2+ elements substituted Sr1-xPrxMn2Fe16-yCuyO27 (x=0, 0.02, 0.06, 0.1 and y=0, 0.1, 0.3, 0.5) W-type hexagonal ferrites were prepared by Sol-Gel method. TGA and DSC analysis of as prepared material was carried out to confirm the temperature at which required phase can be obtained. The XRD patterns exhibit the single phase for all the samples and the lattice parameters were changed with the additives. The absorption bands at wave number 636 and 554 cm-1 in FTIR spectrum indicate the stretching vibration of metal-oxygen ions which also ratifies the single phase for the prepared material. Microstructural analysis confirms the agglomeration of nanograins which leads to formation of platelet like structure which cause in the enhancement of the microwave absorption properties of material. The minimum reflection loss of -59.8 dB at 9.34 GHz frequency was observed makes the prepared material good candidate to be used in super high frequency application. The attenuation constant and reflectivity results are also in good agreement with minimum reflection losses results.

Preliminary research on dual-energy X-ray phase-contrast imaging

NASA Astrophysics Data System (ADS)

Han, Hua-Jie; Wang, Sheng-Hao; Gao, Kun; Wang, Zhi-Li; Zhang, Can; Yang, Meng; Zhang, Kai; Zhu, Pei-Ping

2016-04-01

Dual-energy X-ray absorptiometry (DEXA) has been widely applied to measure the bone mineral density (BMD) and soft-tissue composition of the human body. However, the use of DEXA is greatly limited for low-Z materials such as soft tissues due to their weak absorption, while X-ray phase-contrast imaging (XPCI) shows significantly improved contrast in comparison with the conventional standard absorption-based X-ray imaging for soft tissues. In this paper, we propose a novel X-ray phase-contrast method to measure the area density of low-Z materials, including a single-energy method and a dual-energy method. The single-energy method is for the area density calculation of one low-Z material, while the dual-energy method aims to calculate the area densities of two low-Z materials simultaneously. Comparing the experimental and simulation results with the theoretical ones, the new method proves to have the potential to replace DEXA in area density measurement. The new method sets the prerequisites for a future precise and low-dose area density calculation method for low-Z materials. Supported by Major State Basic Research Development Program (2012CB825800), Science Fund for Creative Research Groups (11321503) and National Natural Science Foundation of China (11179004, 10979055, 11205189, 11205157)

From Modeling of Plasticity in Single-Crystal Superalloys to High-Resolution X-rays Three-Crystal Diffractometer Peaks Simulation

NASA Astrophysics Data System (ADS)

Jacques, Alain

2016-12-01

The dislocation-based modeling of the high-temperature creep of two-phased single-crystal superalloys requires input data beyond strain vs time curves. This may be obtained by use of in situ experiments combining high-temperature creep tests with high-resolution synchrotron three-crystal diffractometry. Such tests give access to changes in phase volume fractions and to the average components of the stress tensor in each phase as well as the plastic strain of each phase. Further progress may be obtained by a new method making intensive use of the Fast Fourier Transform, and first modeling the behavior of a representative volume of material (stress fields, plastic strain, dislocation densities…), then simulating directly the corresponding diffraction peaks, taking into account the displacement field within the material, chemical variations, and beam coherence. Initial tests indicate that the simulated peak shapes are close to the experimental ones and are quite sensitive to the details of the microstructure and to dislocation densities at interfaces and within the soft γ phase.

Anion Exchange in II-VI Semiconducting Nanostructures via Atomic Templating.

PubMed

Agarwal, Rahul; Krook, Nadia M; Ren, Ming-Liang; Tan, Liang Z; Liu, Wenjing; Rappe, Andrew M; Agarwal, Ritesh

2018-03-14

Controlled chemical transformation of nanostructures is a promising technique to obtain precisely designed novel materials, which are difficult to synthesize otherwise. We report high-temperature vapor-phase anion-exchange reactions to chemically transform II-VI semiconductor nanostructures (100-300 nm length scale) while retaining the single crystallinity, crystal structure, morphology, and even defect distribution of the parent material via atomic templating. The concept of atomic templating is employed to obtain kinetically controlled, thermodynamically metastable structural phases such as zincblende CdSe and CdS from zincblende CdTe upon complete chemical replacement of Te with Se or S. The underlying transformation mechanisms are explained through first-principles density functional theory calculations. Atomic templating is a unique path to independently tune materials' phase and composition at the nanoscale, allowing the synthesis of novel materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Huidong; Deng, Zhiqun; Carlson, Thomas J.

Piezoelectric materials have been used in underwater acoustic transducers for nearly a century. In this paper, we reviewed four different types of piezoelectric materials: piezoelectric ceramics, single crystals, composites, and polymers, which are widely used in underwater acoustic transducers nowadays. Piezoelectric ceramics are the most dominant material type and are used as a single-phase material or one of the end members in composites. Piezoelectric single crystals offer outstanding electromechanical response but are limited by their manufacturing cost. Piezoelectric polymers provide excellent acoustic impedance matching and transducer fabrication flexibility although their piezoelectric properties are not as good as ceramics and singlemore » crystals. Composites combined the merits of ceramics and polymers and are receiving increased attention. The typical structure and electromechanical properties of each type of materials are introduced and discussed with respect to underwater acoustic transducer applications. Their advantages and disadvantages are summarized. Some of the critical design considerations when developing underwater acoustic transducers with these materials are also touched upon.« less

Effect of Immersion Time on Corrosion Behavior of Single-Phase Alloy and Nanocomposite Bismuth Telluride-Based Thermoelectrics in NaCl Solution

NASA Astrophysics Data System (ADS)

Keshavarz, Mohsen K.; Fattah-Alhosseini, Arash

2018-05-01

The corrosiveness of bismuth telluride-based thermoelectric materials (n-type single-phase alloy and a nanocomposite with MoS2 nanoinclusions), in 0.1 molar solution of sodium chloride (NaCl), was investigated. The electrochemical impedance spectroscopy curves obtained after 1, 24, 48 and 72 h immersion time revealed the enhancement of the corrosion resistance of the nanocomposite specimen in a 0.1 molar NaCl solution in comparison with the single-phase bismuth telluride-based alloys, and the passivity increased by immersion time up to 72 h. The nanocomposite sample with submicron grains provided suitable nucleation sites for passive film nucleation that led to higher protective behavior.

Potentials and challenges of integration for complex metal oxides in CMOS devices and beyond

NASA Astrophysics Data System (ADS)

Kim, Y.; Pham, C.; Chang, J. P.

2015-02-01

This review focuses on recent accomplishments on complex metal oxide based multifunctional materials and the potential they hold in advancing integrated circuits. It begins with metal oxide based high-κ materials to highlight the success of their integration since 45 nm complementary metal-oxide-semiconductor (CMOS) devices. By simultaneously offering a higher dielectric constant for improved capacitance as well as providing a thicker physical layer to prevent the quantum mechanical tunnelling of electrons, high-κ materials have enabled the continued down-scaling of CMOS based devices. The most recent technology driver has been the demand to lower device power consumption, which requires the design and synthesis of novel materials, such as complex metal oxides that exhibit remarkable tunability in their ferromagnetic, ferroelectric and multiferroic properties. These properties make them suitable for a wide variety of applications such as magnetoelectric random access memory, radio frequency band pass filters, antennae and magnetic sensors. Single-phase multiferroics, while rare, offer unique functionalities which have motivated much scientific and technological research to ascertain the origins of their multiferroicity and their applicability to potential devices. However, due to the weak magnetoelectric coupling for single-phase multiferroics, engineered multiferroic composites based on magnetostrictive ferromagnets interfacing piezoelectrics or ferroelectrics have shown enhanced multiferroic behaviour from effective strain coupling at the interface. In addition, nanostructuring of the ferroic phases has demonstrated further improvement in the coupling effect. Therefore, single-phase and engineered composite multiferroics consisting of complex metal oxides are reviewed in terms of magnetoelectric coupling effects and voltage controlled ferromagnetic properties, followed by a review on the integration challenges that need to be overcome to realize the materials’ full potential.

Quantum phase transitions driven by rhombic-type single-ion anisotropy in the S =1 Haldane chain

NASA Astrophysics Data System (ADS)

Tzeng, Yu-Chin; Onishi, Hiroaki; Okubo, Tsuyoshi; Kao, Ying-Jer

2017-08-01

The spin-1 Haldane chain is an example of the symmetry-protected-topological (SPT) phase in one dimension. Experimental realization of the spin chain materials usually involves both the uniaxial-type, D (Sz)2 , and the rhombic-type, E [(Sx)2-(Sy)2] , single-ion anisotropies. Here, we provide a precise ground-state phase diagram for a spin-1 Haldane chain with these single-ion anisotropies. Using quantum numbers, we find that the Z2 symmetry breaking phase can be characterized by double degeneracy in the entanglement spectrum. Topological quantum phase transitions take place on particular paths in the phase diagram, from the Haldane phase to the large-Ex, large-Ey, or large-D phases. The topological critical points are determined by the level spectroscopy method with a newly developed parity technique in the density matrix renormalization group [Phys. Rev. B 86, 024403 (2012), 10.1103/PhysRevB.86.024403], and the Haldane-large-D critical point is obtained with an unprecedented precision, (D/J ) c=0.9684713 (1 ) . Close to this critical point, a small rhombic single-ion anisotropy |E |/J ≪1 can destroy the Haldane phase and bring the system into a y -Néel phase. We propose that the compound [Ni (HF2) (3-Clpy ) 4] BF4 is a candidate system to search for the y -Néel phase.

Custom-designed nanomaterial libraries for testing metal oxide toxicity

PubMed Central

Pokhrel, Suman; Nel, André E.; Mädler, Lutz

2014-01-01

Conspectus Advances in aerosol technology over the past 10 years have provided methods that enable the generation and design of ultrafine nanoscale materials for different applications. The particles are produced combusting a precursor solution and its chemical reaction in the in the gas phase. Flame spray pyrolysis (FSP) is a highly versatile technique for single step and scalable synthesis of nanoscale materials. New innovations in particle synthesis using FSP technology and its precursor chemistry have enabled flexible dry synthesis of loosely-agglomerated highly crystalline ultrafine powders (porosity ≥ 90%) of binary, ternary and mixed binary or ternary oxides. The flame spray pyrolysis lies at the intersection of combustion science, aerosols technology and materials chemistry. The interdisciplinary research is not only inevitable but is becoming increasingly crucial in the design of nanoparticles (NPs) made in the gas phase. The increasing demand especially in the bio-applications for particles with specific material composition, high purity and crystallinity can be often fulfilled with the fast, single step FSP technique. PMID:23194152

Pressure dependence of band-gap and phase transitions in bulk CuX (X = Cl, Br, I)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Azhikodan, Dilna; Nautiyal, Tashi; Sharma, S.

2016-05-06

Usually a phase transition, in theoretical studies, is explored or verified by studying the total energy as a function of the volume considering various plausible phases. The intersection point, if any, of the free energy vs. volume curves for the different phases is then the indicator of the phase transition(s). The question is, can the theoretical study of a single phase alone indicate a phase transition? i.e. can we look beyond the phase under consideration through such a study? Using density-functional theory, we report a novel approach to suggest phase transition(s) through theoretical study of a single phase. Copper halidesmore » have been engaged for this study. These are direct band-gap semiconductors, with zinc blende structure at ambient conditions, and are reported to exhibit many phase transitions. We show that the study of volume dependence of energy band-gap in a single phase facilitates looking beyond the phase under consideration. This, when translated to pressures, reflects the phase transition pressures for CuX (X = Cl, Br, I) with an encouraging accuracy. This work thus offers a simple, yet reliable, approach based on electronic structure calculations to investigate new semiconducting materials for phase changes under pressure.« less

Method for the Determination of Aconitum Alkaloids in Dietary Supplements and Raw Materials by Reversed-Phase Liquid Chromatography with Ultraviolet Detection and Confirmation by Tandem Mass Spectrometry: Single-Laboratory Validation

PubMed Central

Tang, Wai-Tong; Wong, Sui-Kay; Law, Tin-Yau; Pang, Kwok-Chu; Sin, Della; Tam, Yin-King

2008-01-01

A study of single-laboratory validation (SLV) of a reversed-phase liquid Chromatography (RP-LC) method was conducted for the determination of diester-diterpene Aconitum alkaloids, viz., aconitine, mesaconitine, and hypaconitine, in a variety of dietary supplements, including single-arid multiple-ingredient dry powder extracts, pills, capsules, and raw materials. The Aconitum alkaloids in the samples were extracted by diethyl ether in the presence of ammonia. After cleanup with solid-phase extraction to remove the matrix interferences, the alkaloids were determined by RP-LC with UV detection at 235 nm, and the results were confirmed by tandem mass Spectrometry. The linear responses for aconitine, mesaconitine, and hypaconitine based on the present LC system ranged from 0.5 to 200 μg/mL. Relative standard deviations of 2.0 to 6.9% were obtained from duplicate analysis of 6 test materials of different matrixes for the 3 Aconitum alkaloids performed by 2 analysts on 5 different days. The recoveries determined for supplements and raw materials spiked with 3 Aconitum alkaloids at levels of 2.5–10 μg/g were in the range of 86–99%. In view of the attainment of satisfactory results for accuracy, precision, and recovery in the SLV study, it is recommended that the method validation process proceed to a collaborative study. PMID:17225594

Self-Phase-Matched Second-Harmonic and White-Light Generation in a Biaxial Zinc Tungstate Single Crystal

PubMed Central

Osewski, Pawel; Belardini, Alessandro; Petronijevic, Emilija; Centini, Marco; Leahu, Grigore; Diduszko, Ryszard; Pawlak, Dorota A.; Sibilia, Concita

2017-01-01

Second-order nonlinear optical materials are used to generate new frequencies by exploiting second-harmonic generation (SHG), a phenomenon where a nonlinear material generates light at double the optical frequency of the input beam. Maximum SHG is achieved when the pump and the generated waves are in phase, for example through birefringence in uniaxial crystals. However, applying these materials usually requires a complicated cutting procedure to yield a crystal with a particular orientation. Here we demonstrate the first example of phase matching under the normal incidence of SHG in a biaxial monoclinic single crystal of zinc tungstate. The crystal was grown by the micro-pulling-down method with the (102) plane perpendicular to the growth direction. Additionally, at the same time white light was generated as a result of stimulated Raman scattering and multiphoton luminescence induced by higher-order effects such as three-photon luminescence enhanced by cascaded third-harmonic generation. The annealed crystal offers SHG intensities approximately four times larger than the as grown one; optimized growth and annealing conditions may lead to much higher SHG intensities. PMID:28338074

Self-Phase-Matched Second-Harmonic and White-Light Generation in a Biaxial Zinc Tungstate Single Crystal

NASA Astrophysics Data System (ADS)

Osewski, Pawel; Belardini, Alessandro; Petronijevic, Emilija; Centini, Marco; Leahu, Grigore; Diduszko, Ryszard; Pawlak, Dorota A.; Sibilia, Concita

2017-03-01

Second-order nonlinear optical materials are used to generate new frequencies by exploiting second-harmonic generation (SHG), a phenomenon where a nonlinear material generates light at double the optical frequency of the input beam. Maximum SHG is achieved when the pump and the generated waves are in phase, for example through birefringence in uniaxial crystals. However, applying these materials usually requires a complicated cutting procedure to yield a crystal with a particular orientation. Here we demonstrate the first example of phase matching under the normal incidence of SHG in a biaxial monoclinic single crystal of zinc tungstate. The crystal was grown by the micro-pulling-down method with the (102) plane perpendicular to the growth direction. Additionally, at the same time white light was generated as a result of stimulated Raman scattering and multiphoton luminescence induced by higher-order effects such as three-photon luminescence enhanced by cascaded third-harmonic generation. The annealed crystal offers SHG intensities approximately four times larger than the as grown one; optimized growth and annealing conditions may lead to much higher SHG intensities.

Millimeter Wave Sensor For On-Line Inspection Of Thin Sheet Dielectrics

DOEpatents

Bakhtiari, Sasan; Gopalsami, Nachappa; Raptis, Apostolos C.

1999-03-23

A millimeter wave sensor is provided for non-destructive inspection of thin sheet dielectric materials. The millimeter wave sensor includes a Gunn diode oscillator (GDO) source generating a mill meter wave electromagnetic energy signal having a single frequency. A heater is coupled to the GDO source for stabilizing the single frequency. A small size antenna is coupled to the GDO source for transmitting the millimeter wave electromagnetic energy signal to a sample material and for receiving a reflected millimeter wave electromagnetic energy signal from the sample material. Ferrite circulator isolators coupled between the GDO source and the antenna separate the millimeter wave electromagnetic energy signal into transmitted and received electromagnetic energy signal components and a detector detects change in both amplitude and phase of the transmitted and received electromagnetic energy signal components. A millimeter wave sensor is provided for non-destructive inspection of thin sheet dielectric materials. The millimeter wave sensor includes a Gunn diode oscillator (GDO) source generating a mill meter wave electromagnetic energy signal having a single frequency. A heater is coupled to the GDO source for stabilizing the single frequency. A small size antenna is coupled to the GDO source for transmitting the millimeter wave electromagnetic energy signal to a sample material and for receiving a reflected millimeter wave electromagnetic energy signal from the sample material. Ferrite circulator isolators coupled between the GDO source and the antenna separate the millimeter wave electromagnetic energy signal into transmitted and received electromagnetic energy signal components and a detector detects change in both amplitude and phase of the transmitted and received electromagnetic energy signal components.

Lattice-cell orientation disorder in complex spinel oxides

DOE PAGES

Chen, Yan; Cheng, Yongqiang; Li, Juchuan; ...

2016-11-07

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi 0.5Mn 1.5O 4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for themore » local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Yan; Cheng, Yongqiang; Li, Juchuan

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi 0.5Mn 1.5O 4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for themore » local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.« less

A single-phase elastic hyperbolic metamaterial with anisotropic mass density.

PubMed

Zhu, R; Chen, Y Y; Wang, Y S; Hu, G K; Huang, G L

2016-06-01

Wave propagation can be manipulated at a deep subwavelength scale through the locally resonant metamaterial that possesses unusual effective material properties. Hyperlens due to metamaterial's anomalous anisotropy can lead to superior-resolution imaging. In this paper, a single-phase elastic metamaterial with strongly anisotropic effective mass density has been designed. The proposed metamaterial utilizes the independently adjustable locally resonant motions of the subwavelength-scale microstructures along the two principal directions. High anisotropy in the effective mass densities obtained by the numerical-based effective medium theory can be found and even have opposite signs. For practical applications, shunted piezoelectric elements are introduced into the microstructure to tailor the effective mass density in a broad frequency range. Finally, to validate the design, an elastic hyperlens made of the single-phase hyperbolic metamaterial is proposed with subwavelength longitudinal wave imaging illustrated numerically. The proposed single-phase hyperbolic metamaterial has many promising applications for high resolution damage imaging in nondestructive evaluation and structural health monitoring.

Single-layer model to predict the source/sink behavior of diffusion-controlled building materials.

PubMed

Kumar, Deept; Little, John C

2003-09-01

Building materials may act as both sources of and sinks forvolatile organic compounds (VOCs) in indoor air. A strategy to characterize the rate of absorption and desorption of VOCs by diffusion-controlled building materials is validated. A previously developed model that predicts mass transfer between a flat slab of material and the well-mixed air within a chamber or room is extended. The generalized model allows a nonuniform initial material-phase concentration and a transient influent gas-phase concentration to be simultaneously considered. An analytical solution to the more general model is developed. Experimental data are obtained by placing samples of vinyl flooring inside a small stainless steel chamber and exposing them to absorption/desorption cycles of n-dodecane and phenol. Measured values for the material-air partition coefficient and the material-phase diffusion coefficient were obtained previously in a series of completely independent experiments. The a priori model predictions are in close agreement with the observed experimental data.

Properties and Applications of Lossy Metamaterials

DTIC Science & Technology

2011-12-01

Ring ENG Epsilon-Negative MNG Mu-Negative SNG Single-Negative NRI Negative Refractive Index FIT Finite Integration Technique xiv THIS PAGE...r r r rB ε µ ε µ′ ′′ ′′ ′= + parameters. A classification of double positive (DPS), double negative (DNG) and single negative ( SNG ) materials with...negative, and when 0B > the phase constant and the refractive index are both positive. The parameter A is negative in SNG materials but can be positive or

Method for producing nanocrystalline multicomponent and multiphase materials

DOEpatents

Eastman, Jeffrey A.; Rittner, Mindy N.; Youngdahl, Carl J.; Weertman, Julia R.

1998-01-01

A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound.

Acoustic behavior of a fibrous bulk material. [Kevlar 29 sound absorber

NASA Technical Reports Server (NTRS)

Hersh, A. S.; Walker, B.

1979-01-01

A semiempirical model is presented describing the acoustic behavior of Kevlar 29, a bulk absorbing material. The model is based on an approximate solution to the one-dimensional equations representing conservation of fluctuating mass, momentum and energy. By treating the material as a momentum sink, theoretical expressions of the material complex propagation constants and characteristic impedance were derived in terms of a single constant. Evaluating the constant at a single frequency for a particular specimen, excellent agreement between prediction and measurement was achieved for a large range of sound frequencies and material porosities and thicknesses. Results show that Kevlar 29 absorbs sound efficiently even at low frequencies. This is explained in terms of a frequency dependent material phase speed.

Microstructural Damage During High-Strain Torsion Experiments on Calcite-Anhydrite Aggregates

NASA Astrophysics Data System (ADS)

Cross, A. J.; Skemer, P. A.

2016-12-01

Ductile shear zones play a critical role in localising deformation in the Earth's crust and mantle. Severe grain size reduction - a ubiquitous feature of natural mylonites - is commonly thought to cause strain weakening via a transition to grain size sensitive deformation mechanisms. Although grain size reduction is modulated by grain growth in single-phase aggregates, grain boundary pinning in well-mixed poly-phase composites can inhibit grain growth, leading to microstructural `damage' which is likely a critical element of strain localization in the lithosphere. While dynamic recrystallization has been widely explored in rock mechanics and materials science, the mechanisms behind phase-mixing remain poorly understood. In this contribution we present results from high-strain, deformation experiments on calcite-anhydrite composites. Experiments were conducted in torsion at T = 500-700°C and P 1.5 GPa, using the new Large Volume Torsion (LVT) solid-medium apparatus, to shear strains of 0.5-30. As shear strain increases, progressive thinning and necking of initially large (≤ 1 mm) calcite domains is observed, resulting in an increase in the proportion of interphase boundaries. Grain-size is negatively correlated with the fraction of interphase boundaries, such that calcite grains in well-mixed regions are significantly smaller than those in single-phase domains. Crucially, progressive deformation leads to a reduction in grain-size beyond the lower limit established by the grain size piezometer for mono-phase calcite, implying microstructural damage. These data therefore demonstrate continued microstructural evolution in two-phase composites that is not possible in single-phase aggregates. These observations mark a new `geometric' mechanism for phase mixing, complementing previous models for phase mixing involving chemical reactions, material diffusion, and/or grain boundary sliding.

Pitch-based carbon foam heat sink with phase change material

DOEpatents

Klett, James W.; Burchell, Timothy D.

2004-08-24

A process for producing a carbon foam heat sink is disclosed which obviates the need for conventional oxidative stabilization. The process employs mesophase or isotropic pitch and a simplified process using a single mold. The foam has a relatively uniform distribution of pore sizes and a highly aligned graphic structure in the struts. The foam material can be made into a composite which is useful in high temperature sandwich panels for both thermal and structural applications. The foam is encased and filled with a phase change material to provide a very efficient heat sink device.

Pitch-based carbon foam heat sink with phase change material

DOEpatents

Klett, James W.; Burchell, Timothy D.

2007-01-02

A process for producing a carbon foam heat sink is disclosed which obviates the need for conventional oxidative stabilization. The process employs mesophase or isotropic pitch and a simplified process using a single mold. The foam has a relatively uniform distribution of pore sizes and a highly aligned graphic structure in the struts. The foam material can be made into a composite which is useful in high temperature sandwich panels for both thermal and structural applications. The foam is encased and filled with a phase change material to provide a very efficient heat sink device.

Pitch-based carbon foam heat sink with phase change material

DOEpatents

Klett, James W.; Burchell, Timothy D.

2006-03-21

A process for producing a carbon foam heat sink is disclosed which obviates the need for conventional oxidative stabilization. The process employs mesophase or isotropic pitch and a simplified process using a single mold. The foam has a relatively uniform distribution of pore sizes and a highly aligned graphic structure in the struts. The foam material can be made into a composite which is useful in high temperature sandwich panels for both thermal and structural applications. The foam is encased and filled with a phase change material to provide a very efficient heat sink device.

Pitch-based carbon foam heat sink with phase change material

DOEpatents

Klett, James W.; Burchell, Timothy D.

2002-01-01

A process for producing a carbon foam heat sink is disclosed which obviates the need for conventional oxidative stabilization. The process employs mesophase or isotropic pitch and a simplified process using a single mold. The foam has a relatively uniform distribution of pore sizes and a highly aligned graphic structure in the struts. The foam material can be made into a composite which is useful in high temperature sandwich panels for both thermal and structural applications. The foam is encased and filled with a phase change material to provide a very efficient heat sink device.

Pitch-based carbon foam heat sink with phase change material

DOEpatents

Klett, James W.; Burchell, Timothy D.

2000-01-01

A process for producing a carbon foam heat sink is disclosed which obviates the need for conventional oxidative stabilization. The process employs mesophase or isotropic pitch and a simplified process using a single mold. The foam has a relatively uniform distribution of pore sizes and a highly aligned graphic structure in the struts. The foam material can be made into a composite which is useful in high temperature sandwich panels for both thermal and structural applications. The foam is encased and filled with a phase change material to provide a very efficient heat sink device.

Pitch-based carbon foam heat sink with phase change material

DOEpatents

Klett, James W.; Burchell, Timothy D.

2007-01-23

A process for producing a carbon foam heat sink is disclosed which obviates the need for conventional oxidative stabilization. The process employs mesophase or isotropic pitch and a simplified process using a single mold. The foam has a relatively uniform distribution of pore sizes and a highly aligned graphic structure in the struts. The foam material can be made into a composite which is useful in high temperature sandwich panels for both thermal and structural applications. The foam is encased and filled with a phase change material to provide a very efficient heat sink device.

Ratioed scatter diagrams - An erotetic method for phase identification on complex surfaces using scanning Auger microscopy

NASA Technical Reports Server (NTRS)

Browning, R.

1984-01-01

By ratioing multiple Auger intensities and plotting a two-dimensional occupational scatter diagram while digitally scanning across an area, the number and elemental association of surface phases can be determined. This can prove a useful tool in scanning Auger microscopic analysis of complex materials. The technique is illustrated by results from an anomalous region on the reaction zone of a SiC/Ti-6Al-4V metal matrix composite material. The anomalous region is shown to be a single phase associated with sulphur and phosphorus impurities. Imaging of a selected phase from the ratioed scatter diagram is possible and may be a useful technique for presenting multiple scanning Auger images.

A study of room-temperature LixMn1.5Ni0.5O4 solid solutions

NASA Astrophysics Data System (ADS)

Saravanan, Kuppan; Jarry, Angelique; Kostecki, Robert; Chen, Guoying

2015-01-01

Understanding the kinetic implication of solid-solution vs. biphasic reaction pathways is critical for the development of advanced intercalation electrode materials. Yet this has been a long-standing challenge in materials science due to the elusive metastable nature of solid solution phases. The present study reports the synthesis, isolation, and characterization of room-temperature LixMn1.5Ni0.5O4 solid solutions. In situ XRD studies performed on pristine and chemically-delithiated, micron-sized single crystals reveal the thermal behavior of LixMn1.5Ni0.5O4 (0 <= x <= 1) cathode material consisting of three cubic phases: LiMn1.5Ni0.5O4 (Phase I), Li0.5Mn1.5Ni0.5O4 (Phase II) and Mn1.5Ni0.5O4 (Phase III). A phase diagram capturing the structural changes as functions of both temperature and Li content was established. The work not only demonstrates the possibility of synthesizing alternative electrode materials that are metastable in nature, but also enables in-depth evaluation on the physical, electrochemical and kinetic properties of transient intermediate phases and their role in battery electrode performance.

Mesh-based phase contrast Fourier transform imaging

NASA Astrophysics Data System (ADS)

Tahir, Sajjad; Bashir, Sajid; MacDonald, C. A.; Petruccelli, Jonathan C.

2017-04-01

Traditional x-ray radiography is limited by low attenuation contrast in materials of low electron density. Phase contrast imaging offers the potential to improve the contrast between such materials, but due to the requirements on the spatial coherence of the x-ray beam, practical implementation of such systems with tabletop (i.e. non-synchrotron) sources has been limited. One phase imaging technique employs multiple fine-pitched gratings. However, the strict manufacturing tolerances and precise alignment requirements have limited the widespread adoption of grating-based techniques. In this work, we have investigated a recently developed technique that utilizes a single grid of much coarser pitch. Our system consisted of a low power 100 μm spot Mo source, a CCD with 22 μm pixel pitch, and either a focused mammography linear grid or a stainless steel woven mesh. Phase is extracted from a single image by windowing and comparing data localized about harmonics of the mesh in the Fourier domain. The effects on the diffraction phase contrast and scattering amplitude images of varying grid types and periods, and of varying the width of the window function used to separate the harmonics were investigated. Using the wire mesh, derivatives of the phase along two orthogonal directions were obtained and combined to form improved phase contrast images.

Combination of sorption properties of polydimethylsiloxane and solid-phase extraction sorbents in a single composite material for the passive sampling of polar and apolar pesticides in water.

PubMed

Martin, Alexis; Margoum, Christelle; Coquery, Marina; Randon, Jérôme

2016-10-01

Passive sampling techniques have been developed as an alternative method for in situ integrative monitoring of trace levels of neutral pesticides in environmental waters. The objective of this work was to develop a new receiving phase for pesticides with a wide range of polarities in a single step. We describe the development of three new composite silicone rubbers, combining polydimethylsiloxane mechanical and sorption properties with solid-phase extraction sorbents, prepared as a receiving phase for passive sampling. A composite silicone rubber composed of polydimethylsiloxane/poly(divinylbenzene-co-N-vinylpyrrolidone) was selected by batch experiments for its high sorption properties for pesticides with octanol-water partition coefficients ranging from 2.3 to 5.5. We named this composite material "Polar/Apolar Composite Silicone Rubber". A structural study by scanning electron microscopy confirmed the homogeneous dispersion of the sorbent particles and the encapsulation of particles within the polydimethylsiloxane matrix. We also demonstrate that this composite material is resistant to common solvents used for the back-extraction of analytes and has a maximal resistance temperature of 350°C. Therefore, the characteristics of the "Polar/Apolar Composite Silicone Rubber" meet most of the criteria for use as a receiving phase for the passive sampling of pesticides. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Shock wave-induced phase transition in RDX single crystals.

PubMed

Patterson, James E; Dreger, Zbigniew A; Gupta, Yogendra M

2007-09-20

The real-time, molecular-level response of oriented single crystals of hexahydro-1,3,5-trinitro-s-triazine (RDX) to shock compression was examined using Raman spectroscopy. Single crystals of [111], [210], or [100] orientation were shocked under stepwise loading to peak stresses from 3.0 to 5.5 GPa. Two types of measurements were performed: (i) high-resolution Raman spectroscopy to probe the material at peak stress and (ii) time-resolved Raman spectroscopy to monitor the evolution of molecular changes as the shock wave reverberated through the material. The frequency shift of the CH stretching modes under shock loading appeared to be similar for all three crystal orientations below 3.5 GPa. Significant spectral changes were observed in crystals shocked above 4.5 GPa. These changes were similar to those observed in static pressure measurements, indicating the occurrence of the alpha-gamma phase transition in shocked RDX crystals. No apparent orientation dependence in the molecular response of RDX to shock compression up to 5.5 GPa was observed. The phase transition had an incubation time of approximately 100 ns when RDX was shocked to 5.5 GPa peak stress. The observation of the alpha-gamma phase transition under shock wave loading is briefly discussed in connection with the onset of chemical decomposition in shocked RDX.

Phase-and-amplitude recovery from a single phase-contrast image using partially spatially coherent x-ray radiation

NASA Astrophysics Data System (ADS)

Beltran, Mario A.; Paganin, David M.; Pelliccia, Daniele

2018-05-01

A simple method of phase-and-amplitude extraction is derived that corrects for image blurring induced by partially spatially coherent incident illumination using only a single intensity image as input. The method is based on Fresnel diffraction theory for the case of high Fresnel number, merged with the space-frequency description formalism used to quantify partially coherent fields and assumes the object under study is composed of a single-material. A priori knowledge of the object’s complex refractive index and information obtained by characterizing the spatial coherence of the source is required. The algorithm was applied to propagation-based phase-contrast data measured with a laboratory-based micro-focus x-ray source. The blurring due to the finite spatial extent of the source is embedded within the algorithm as a simple correction term to the so-called Paganin algorithm and is also numerically stable in the presence of noise.

Proceedings of the 12th Army Symposium on Solid Mechanics, ’Synergism of Mechanics Mathematics and Materials’ 4-7 November 1991, Plymouth, Massachusetts.

DTIC Science & Technology

1991-11-07

proposed that a phase transformation to untempered martensite (via austenite) occurred within the shear band [9]. Wittman et al used TEM observations to...porous materials is used to simulate the plate impact experiment. 1. Introduction While second phase precipitates or particles greatly enhance the...34Dispersed Particle Hard- ening of Aluminum- Copper Alloy Single Crystals", Acta Metall., Vol. 8, March, pp. 147-155. [2] Meiklejohn, W. H. and Skoda

Tunable top-down fabrication and functional surface coating of single-crystal titanium dioxide nanostructures and nanoparticles

NASA Astrophysics Data System (ADS)

Ha, Seungkyu; Janissen, Richard; Ussembayev, Yera Ye.; van Oene, Maarten M.; Solano, Belen; Dekker, Nynke H.

2016-05-01

Titanium dioxide (TiO2) is a key component of diverse optical and electronic applications that exploit its exceptional material properties. In particular, the use of TiO2 in its single-crystalline phase can offer substantial advantages over its amorphous and polycrystalline phases for existing and yet-to-be-developed applications. However, the implementation of single-crystal TiO2 has been hampered by challenges in its fabrication and subsequent surface functionalization. Here, we introduce a novel top-down approach that allows for batch fabrication of uniform high-aspect-ratio single-crystal TiO2 nanostructures with targeted sidewall profiles. We complement our fabrication approach with a functionalization strategy that achieves dense, uniform, and area-selective coating with a variety of biomolecules. This allows us to fabricate single-crystal rutile TiO2 nanocylinders tethered with individual DNA molecules for use as force- and torque-transducers in an optical torque wrench. These developments provide the means for increased exploitation of the superior material properties of single-crystal TiO2 at the nanoscale.Titanium dioxide (TiO2) is a key component of diverse optical and electronic applications that exploit its exceptional material properties. In particular, the use of TiO2 in its single-crystalline phase can offer substantial advantages over its amorphous and polycrystalline phases for existing and yet-to-be-developed applications. However, the implementation of single-crystal TiO2 has been hampered by challenges in its fabrication and subsequent surface functionalization. Here, we introduce a novel top-down approach that allows for batch fabrication of uniform high-aspect-ratio single-crystal TiO2 nanostructures with targeted sidewall profiles. We complement our fabrication approach with a functionalization strategy that achieves dense, uniform, and area-selective coating with a variety of biomolecules. This allows us to fabricate single-crystal rutile TiO2 nanocylinders tethered with individual DNA molecules for use as force- and torque-transducers in an optical torque wrench. These developments provide the means for increased exploitation of the superior material properties of single-crystal TiO2 at the nanoscale. Electronic supplementary information (ESI) available: Experimental details (ESI Methods) of the optic axis orientation of TiO2 nanocylinders, Cr etch mask fabrication, surface functionalization and its evaluation using fluorescence microscopy, preparation of DNA constructs, assembly of flow cells, bioconjugation of TiO2 nanocylinders, OTW instrumentation and measurements; TiO2 dry etching optimization and the etching parameters employed (Tables S1 and S2); dimensional analysis of TiO2 nanocylinders (Table S3); diverse applications of TiO2 at the nanoscale (Fig. S1); selection of etch mask material (Fig. S2); control of sidewall profiles in TiO2 etching (Fig. S3); size distributions of TiO2 nanocylinders (Fig. S4); quantitative comparisons of different surface linker molecules (Fig. S5); DLS measurements on TiO2 nanocylinders (Fig. S6); optical trap calibration (Fig. S7); and supplementary references. See DOI: 10.1039/c6nr00898d

Phase transition in organic-inorganic perovskite (C9H19NH3)2 PbI2Br2 of long-chain alkylammonium

NASA Astrophysics Data System (ADS)

Abid, H.; Trigui, A.; Mlayah, A.; Hlil, E. K.; Abid, Y.

2012-01-01

Single perovskite slab alkylammonium lead iodides bromides (C9H19NH3)2PbI2Br2 is a new member of the family of hybrid organic-inorganic perovskite compounds. It exhibits a single structural phase transition with changes in the conformation of alkylammonium chains below room temperature. Differential scanning calorimetry (DSC), powder X-ray diffraction and FT-Raman spectroscopy were used to investigate this phase transition. These changes were characterized by a decreased conformational disorder of the methylene units of the alkyl chains. Phase transition was examined in light of the interesting optical properties of this material, as well as the relevance of this system as models for phase transitions in lipid bilayers.

Reinforcement of mono- and bi-layer poly(ethylene glycol) hydrogels with a fibrous collagen scaffold

PubMed Central

Kinneberg, K. R. C.; Nelson, A.; Stender, M.; Aziz, A. H.; Mozdzen, L. C.; Harley, B. A. C.; Bryant, S. J.; Ferguson, V. L.

2015-01-01

Biomaterial-based tissue engineering strategies hold great promise for osteochondral tissue repair. Yet significant challenges remain in joining highly dissimilar materials to achieve a biomimetic, mechanically robust design for repairing interfaces between soft tissue and bone. This study sought to improve interfacial properties and function in a bilayer, multi-phase hydrogel interpenetrated with a fibrous collagen scaffold. ‘Soft’ 10% (w/w) and ‘stiff’ 30% (w/w) PEGDM was formed into mono- or bilayer hydrogels possessing a sharp diffusional interface. Hydrogels were evaluated as single- (hydrogel only) or multi-phase (hydrogel+fibrous scaffold penetrating throughout the stiff layer and extending >500μm into the soft layer). Including a fibrous scaffold into both soft and stiff single-phase hydrogels significantly increased tangent modulus and toughness and decreased lateral expansion under compressive loading. In multi-phase hydrogels, finite element simulations predict substantially reduced stress and strain gradients across the soft—stiff hydrogel interface. When combining two low moduli constituent material, composites theory poorly predicts the observed, large modulus increases. These results suggest material structure associated with the fibrous scaffold penetrating within the PEG hydrogel as the major contributor to improved properties and function – the hydrogel bore compressive loads and the 3D fibrous scaffold was loaded in tension thus resisting lateral expansion. PMID:26001970

Thermodynamics around the first-order ferromagnetic phase transition of Fe2P single crystals

NASA Astrophysics Data System (ADS)

Hudl, M.; Campanini, D.; Caron, L.; Höglin, V.; Sahlberg, M.; Nordblad, P.; Rydh, A.

2014-10-01

The specific heat and thermodynamics of Fe2P single crystals around the first-order paramagnetic to ferromagnetic (FM) phase transition at TC≃217 K are empirically investigated. The magnitude and direction of the magnetic field relative to the crystal axes govern the derived H -T phase diagram. Strikingly different phase contours are obtained for fields applied parallel and perpendicular to the c axis of the crystal. In parallel fields, the FM state is stabilized, while in perpendicular fields the phase transition is split into two sections, with an intermediate FM phase where there is no spontaneous magnetization along the c axis. The zero-field transition displays a textbook example of a first-order transition with different phase stability limits on heating and cooling. The results have special significance since Fe2P is the parent material to a family of compounds with outstanding magnetocaloric properties.

Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

DOE PAGES

Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; ...

2014-09-04

We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV 4O 9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to themore » Néel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.« less

Microstructural modifications induced by accelerated aging and lipid absorption in remelted and annealed UHMWPEs for total hip arthroplasty

PubMed Central

Puppulin, Leonardo; Zhu, Wenliang; Sugano, Nobuhiko

2014-01-01

Three types of commercially available ultra-high molecular weight polyethylene (UHMWPE) acetabular cups currently used in total hip arthroplasty have been studied by means of Raman micro-spectroscopy to unfold the microstructural modification induced by the oxidative degradation after accelerated aging with and without lipid absorption. The three investigated materials were produced by three different manufacturing procedures, as follows: irradiation followed by remelting, one-step irradiation followed by annealing, 3-step irradiation and annealing. Clear microstructural differences were observed in terms of phase contents (i.e. amorphous, crystalline and intermediate phase fraction). The three-step annealed material showed the highest crystallinity fraction in the bulk, while the remelted polyethylene is clearly characterized by the lowest content of crystalline phase and the highest content of amorphous phase. After accelerated aging either with or without lipids, the amount of amorphous phase decreased in all the samples as a consequence of the oxidation-induced recrystallization. The most remarkable variations of phase contents were detected in the remelted and in the single-step annealed materials. The presence of lipids triggered oxidative degradation especially in the remelted polyethylene. Such experimental evidence might be explained by the highest amount of amorphous phase in which lipids can be absorbed prior to accelerated aging. The results of these spectroscopic characterizations help to rationalize the complex effect of different irradiation and post-irradiation treatments on the UHMWPE microstructure and gives useful information on how significantly any single step of the manufacturing procedures might affect the oxidative degradation of the polymer. PMID:25179830

Advanced Research Projects Agency on Materials Preparation and Characterization Research

DTIC Science & Technology

Briefly summarized is research concerned with such topics as: Preparation of silica glass from amorphous silica; Glass structure by Raman ...ferroelectrics; Silver iodide crystals; Vapor phase growth; Refractory optical host materials; Hydroxyapatite ; Calcite; Characterization of single crystals with a double crystal spectrometer; Characterization of residual strain.

The processing of materials in outer space

NASA Technical Reports Server (NTRS)

Gelles, S. H.; Colling, E. W.

1977-01-01

Zero-gravity environment may lead to fabrication of new and improved materials. According to comprehensive study of application of this promising technology to superconducting and electrical contact materials, outer space processing could improve microstructure and homogeneity of many single and multicomponent systems formed from solidification of fluid phases. New structures that are impossible to form terrestrially may also be accessible in space environment.

Standoff detection of trace amounts of solids by nonlinear Raman spectroscopy using shaped femtosecond pulses

NASA Astrophysics Data System (ADS)

Katz, O.; Natan, A.; Silberberg, Y.; Rosenwaks, S.

2008-04-01

We demonstrate a single-beam, standoff (>10m) detection and identification of various materials including minute amounts of explosives under ambient light conditions. This is obtained by multiplex coherent anti-Stokes Raman scattering spectroscopy (CARS) using a single femtosecond phase-shaped laser pulse. We exploit the strong nonresonant background for amplification of the backscattered resonant CARS signals by employing a homodyne detection scheme. The simple and highly sensitive spectroscopic technique has a potential for hazardous materials standoff detection applications.

A review of solid-fluid selection options for optical-based measurements in single-phase liquid, two-phase liquid-liquid and multiphase solid-liquid flows

NASA Astrophysics Data System (ADS)

Wright, Stuart F.; Zadrazil, Ivan; Markides, Christos N.

2017-09-01

Experimental techniques based on optical measurement principles have experienced significant growth in recent decades. They are able to provide detailed information with high-spatiotemporal resolution on important scalar (e.g., temperature, concentration, and phase) and vector (e.g., velocity) fields in single-phase or multiphase flows, as well as interfacial characteristics in the latter, which has been instrumental to step-changes in our fundamental understanding of these flows, and the development and validation of advanced models with ever-improving predictive accuracy and reliability. Relevant techniques rely upon well-established optical methods such as direct photography, laser-induced fluorescence, laser Doppler velocimetry/phase Doppler anemometry, particle image/tracking velocimetry, and variants thereof. The accuracy of the resulting data depends on numerous factors including, importantly, the refractive indices of the solids and liquids used. The best results are obtained when the observational materials have closely matched refractive indices, including test-section walls, liquid phases, and any suspended particles. This paper reviews solid-liquid and solid-liquid-liquid refractive-index-matched systems employed in different fields, e.g., multiphase flows, turbomachinery, bio-fluid flows, with an emphasis on liquid-liquid systems. The refractive indices of various aqueous and organic phases found in the literature span the range 1.330-1.620 and 1.251-1.637, respectively, allowing the identification of appropriate combinations to match selected transparent or translucent plastics/polymers, glasses, or custom materials in single-phase liquid or multiphase liquid-liquid flow systems. In addition, the refractive indices of fluids can be further tuned with the use of additives, which also allows for the matching of important flow similarity parameters such as density and viscosity.

Three-dimensional mapping of crystalline ceramic waste form materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cocco, Alex P.; DeGostin, Matthew B.; Wrubel, Jacob A.

Here, we demonstrate the use of synchrotron-based, transmission X-ray microscopy (TXM) and scanning electron microscopy to image the 3-D morphologies and spatial distributions of Ga-doped phases within model, single- and two-phase waste form material systems. Gallium doping levels consistent with those commonly used for nuclear waste immobilization (e.g., Ba 1.04Cs 0.24Ga 2.32Ti 5.68O 16) could be readily imaged. This analysis suggests that a minority phase with different stoichiometry/composition from the primary hollandite phase can be formed by the solid-state ceramic processing route with varying morphology (globular vs. cylindrical) as a function of Cs content. Our results represent a crucial stepmore » in developing the tools necessary to gain an improved understanding of the microstructural and chemical properties of waste form materials that influence their resistance to aqueous corrosion. This understanding will aid in the future design of higher durability waste form materials.« less

Three-dimensional mapping of crystalline ceramic waste form materials

DOE PAGES

Cocco, Alex P.; DeGostin, Matthew B.; Wrubel, Jacob A.; ...

2017-04-21

Here, we demonstrate the use of synchrotron-based, transmission X-ray microscopy (TXM) and scanning electron microscopy to image the 3-D morphologies and spatial distributions of Ga-doped phases within model, single- and two-phase waste form material systems. Gallium doping levels consistent with those commonly used for nuclear waste immobilization (e.g., Ba 1.04Cs 0.24Ga 2.32Ti 5.68O 16) could be readily imaged. This analysis suggests that a minority phase with different stoichiometry/composition from the primary hollandite phase can be formed by the solid-state ceramic processing route with varying morphology (globular vs. cylindrical) as a function of Cs content. Our results represent a crucial stepmore » in developing the tools necessary to gain an improved understanding of the microstructural and chemical properties of waste form materials that influence their resistance to aqueous corrosion. This understanding will aid in the future design of higher durability waste form materials.« less

FFT analysis of sensible-heat solar-dynamic receivers

NASA Astrophysics Data System (ADS)

Lund, Kurt O.

The use of solar dynamic receivers with sensible energy storage in single-phase materials is considered. The feasibility of single-phase designs with weight and thermal performance comparable to existing two-phase designs is addressed. Linearized heat transfer equations are formulated for the receiver heat storage, representing the periodic input solar flux as the sum of steady and oscillating distributions. The steady component is solved analytically to produce the desired receiver steady outlet gas temperature, and the FFT algorithm is applied to the oscillating components to obtain the amplitudes and mode shapes of the oscillating solid and gas temperatures. The results indicate that sensible-heat receiver designs with performance comparable to state-of-the-art two-phase receivers are available.

7 CFR 1728.204 - Electric standards and specifications for materials and construction.

Code of Federal Regulations, 2014 CFR

2014-01-01

... application where additional insulation is desired. (1) The cable may be used in single-phase, two (V)-phase... polyethylene (TR-XLPE) insulation compound containing an additive, a polymer modification filler, which helps... shield shall have a nominal operating temperature equal to, or higher than, that of the insulation. (e...

7 CFR 1728.204 - Electric standards and specifications for materials and construction.

Code of Federal Regulations, 2013 CFR

2013-01-01

... application where additional insulation is desired. (1) The cable may be used in single-phase, two (V)-phase... polyethylene (TR-XLPE) insulation compound containing an additive, a polymer modification filler, which helps... shield shall have a nominal operating temperature equal to, or higher than, that of the insulation. (e...

High temperature crystalline superconductors from crystallized glasses

DOEpatents

Shi, Donglu

1992-01-01

A method of preparing a high temperature superconductor from an amorphous phase. The method involves preparing a starting material of a composition of Bi.sub.2 Sr.sub.2 Ca.sub.3 Cu.sub.4 Ox or Bi.sub.2 Sr.sub.2 Ca.sub.4 Cu.sub.5 Ox, forming an amorphous phase of the composition and heat treating the amorphous phase for particular time and temperature ranges to achieve a single phase high temperature superconductor.

Optical and Raman microspectroscopy of nitrogen and hydrogen mixtures at high pressures

NASA Astrophysics Data System (ADS)

Ciezak, Jennifer; Jenkins, T.; Hemley, R.

2009-06-01

Extended phases of molecular solids formed from simple molecules have led to polymeric materials under extreme conditions with advanced optical, mechanical and energetic properties. Although the existence of extended phases has been demonstrated in N2, CO and CO2, recovery of the materials to ambient conditions has posed considerable difficulty. Recent molecular dynamics simulations have predicted that the addition of hydrogen to nitrogen may increase the stability of the cubic-gauche nitrogen polymer and thereby offer the possibility of synthesis at lower pressures and temperatures. Here we present optical and Raman microspectroscopy measurements performed on nitrogen and hydrogen mixtures to 85 GPa. To pressures of 30 GPa, large deviations in the internal molecular stretching modes of the mixtures relative to those of the pure material reveal unusual phase behavior. After an unusual phase separation near 35 GPa, a phase assemblage of consisting of a phase rich in both nitrogen and hydrogen, a phase of relatively amorphous nitrogen and a mixture of the two is observed. Near this pressure, Raman bands attributed to the N-N single bonded stretch were observed.

Method for producing nanocrystalline multicomponent and multiphase materials

DOEpatents

Eastman, J.A.; Rittner, M.N.; Youngdahl, C.J.; Weertman, J.R.

1998-03-17

A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound. 6 figs.

Multiferroics and magnetoelectrics: thin films and nanostructures

NASA Astrophysics Data System (ADS)

Martin, L. W.; Crane, S. P.; Chu, Y.-H.; Holcomb, M. B.; Gajek, M.; Huijben, M.; Yang, C.-H.; Balke, N.; Ramesh, R.

2008-10-01

Multiferroic materials, or materials that simultaneously possess two or more ferroic order parameters, have returned to the forefront of materials research. Driven by the desire to achieve new functionalities—such as electrical control of ferromagnetism at room temperature—researchers have undertaken a concerted effort to identify and understand the complexities of multiferroic materials. The ability to create high quality thin film multiferroics stands as one of the single most important landmarks in this flurry of research activity. In this review we discuss the basics of multiferroics including the important order parameters and magnetoelectric coupling in materials. We then discuss in detail the growth of single phase, horizontal multilayer, and vertical heterostructure multiferroics. The review ends with a look to the future and how multiferroics can be used to create new functionalities in materials.

A multiscale microstructural approach to ductile-phase toughened tungsten for plasma-facing materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Ba Nghiep; Henager, Jr., Charles H.; Overman, Nicole R.

Increasing fracture toughness and modifying the ductile-brittle transition temperature of a tungsten-alloy relative to pure tungsten has been shown to be feasible by ductile-phase toughening (DPT) of tungsten for future plasma-facing materials for fusion energy. In DPT, a ductile phase is included in a brittle tungsten matrix to increase the overall work of fracture for the material. This research models the deformation behavior of DPT tungsten materials, such as tungsten-copper composites, using a multiscale modeling approach that involves a microstructural dual-phase (copper-tungsten) region of interest where the constituent phases are finely discretized and are described by a continuum damage mechanicsmore » model. Large deformation, damage, and fracture are allowed to occur and are modeled in a region that is connected to adjacent homogenized elastic regions to form a macroscopic structure, such as a test specimen. The present paper illustrates this multiscale modeling approach to analyze unnotched and single-edge notched (SENB) tungsten-copper composite specimens subjected to three-point bending. The predicted load-displacement responses and crack propagation patterns are compared to the corresponding experimental results to validate the model. Furthermore, such models may help design future DPT composite configurations for fusion materials, including volume fractions of ductile phase and microstructural optimization.« less

A multiscale microstructural approach to ductile-phase toughened tungsten for plasma-facing materials

DOE PAGES

Nguyen, Ba Nghiep; Henager, Jr., Charles H.; Overman, Nicole R.; ...

2018-05-23

Increasing fracture toughness and modifying the ductile-brittle transition temperature of a tungsten-alloy relative to pure tungsten has been shown to be feasible by ductile-phase toughening (DPT) of tungsten for future plasma-facing materials for fusion energy. In DPT, a ductile phase is included in a brittle tungsten matrix to increase the overall work of fracture for the material. This research models the deformation behavior of DPT tungsten materials, such as tungsten-copper composites, using a multiscale modeling approach that involves a microstructural dual-phase (copper-tungsten) region of interest where the constituent phases are finely discretized and are described by a continuum damage mechanicsmore » model. Large deformation, damage, and fracture are allowed to occur and are modeled in a region that is connected to adjacent homogenized elastic regions to form a macroscopic structure, such as a test specimen. The present paper illustrates this multiscale modeling approach to analyze unnotched and single-edge notched (SENB) tungsten-copper composite specimens subjected to three-point bending. The predicted load-displacement responses and crack propagation patterns are compared to the corresponding experimental results to validate the model. Furthermore, such models may help design future DPT composite configurations for fusion materials, including volume fractions of ductile phase and microstructural optimization.« less

Quantitative X-ray dark-field and phase tomography using single directional speckle scanning technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Hongchang, E-mail: hongchang.wang@diamond.ac.uk; Kashyap, Yogesh; Sawhney, Kawal

2016-03-21

X-ray dark-field contrast tomography can provide important supplementary information inside a sample to the conventional absorption tomography. Recently, the X-ray speckle based technique has been proposed to provide qualitative two-dimensional dark-field imaging with a simple experimental arrangement. In this letter, we deduce a relationship between the second moment of scattering angle distribution and cross-correlation degradation of speckle and establish a quantitative basis of X-ray dark-field tomography using single directional speckle scanning technique. In addition, the phase contrast images can be simultaneously retrieved permitting tomographic reconstruction, which yields enhanced contrast in weakly absorbing materials. Such complementary tomography technique can allow systematicmore » investigation of complex samples containing both soft and hard materials.« less

Two phase modeling of the influence of plastic strain on the magnetic and magnetostrictive behaviors of ferromagnetic materials

NASA Astrophysics Data System (ADS)

Hubert, Olivier; Lazreg, Said

2017-02-01

A growing interest of automotive industry in the use of high performance steels is observed. These materials are obtained thanks to complex manufacturing processes whose parameters fluctuations lead to strong variations of microstructure and mechanical properties. The on-line magnetic non-destructive monitoring is a relevant response to this problem but it requires fast models sensitive to different parameters of the forming process. The plastic deformation is one of these important parameters. Indeed, ferromagnetic materials are known to be sensitive to stress application and especially to plastic strains. In this paper, a macroscopic approach using the kinematic hardening is proposed to model this behavior, considering a plastic strained material as a two phase system. Relationship between kinematic hardening and residual stress is defined in this framework. Since stress fields are multiaxial, an uniaxial equivalent stress is calculated and introduced inside the so-called magneto-mechanical multidomain modeling to represent the effect of plastic strain. The modeling approach is complemented by many experiments involving magnetic and magnetostrictive measurements. They are carried out with or without applied stress, using a dual-phase steel deformed at different levels. The main interest of this material is that the mechanically hard phase, soft phase and the kinematic hardening can be clearly identified thanks to simple experiments. It is shown how this model can be extended to single phase materials.

High-performance packaging for monolithic microwave and millimeter-wave integrated circuits

NASA Technical Reports Server (NTRS)

Shalkhauser, K. A.; Li, K.; Shih, Y. C.

1992-01-01

Packaging schemes were developed that provide low-loss, hermetic enclosure for advanced monolithic microwave and millimeter-wave integrated circuits (MMICs). The package designs are based on a fused quartz substrate material that offers improved radio frequency (RF) performance through 44 gigahertz (GHz). The small size and weight of the packages make them appropriate for a variety of applications, including phased array antenna systems. Packages were designed in two forms; one for housing a single MMIC chip, the second in the form of a multi-chip phased array module. The single chip array module was developed in three separate sizes, for chips of different geometry and frequency requirements. The phased array module was developed to address packaging directly for antenna applications, and includes transmission line and interconnect structures to support multi-element operation. All packages are fabricated using fused quartz substrate materials. As part of the packaging effort, a test fixture was developed to interface the single chip packages to conventional laboratory instrumentation for characterization of the packaged devices. The package and test fixture designs were both developed in a generic sense, optimizing performance for a wide range of possible applications and devices.

The self-healing of defects induced by the hydriding phase transformation in palladium nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulvestad, A.; Yau, A.

Nanosizing can dramatically alter material properties by enhancing surface thermodynamic contributions, shortening diffusion lengths, and increasing the number of catalytically active sites per unit volume. These mechanisms have been used to explain the improved properties of catalysts, battery materials, plasmonic materials, etc. Here we show that Pd nanoparticles also have the ability to self-heal defects in their crystal structures. Using Bragg coherent diffractive imaging, we image dislocations nucleated deep in a Pd nanoparticle during the forward hydriding phase transformation that heal during the reverse transformation, despite the region surrounding the dislocations remaining in the hydrogen-poor phase. We show that defectivemore » Pd nanoparticles exhibit sloped isotherms, indicating that defects act as additional barriers to the phase transformation. Our results resolve the formation and healing of structural defects during phase transformations at the single nanoparticle level and offer an additional perspective as to how and why nanoparticles differ from their bulk counterparts.« less

Spin-flop states in a synthetic antiferromagnet and variations of unidirectional anisotropy in FeMn-based spin valves

NASA Astrophysics Data System (ADS)

Milyaev, M. A.; Naumova, L. I.; Chernyshova, T. A.; Proglyado, V. V.; Kulesh, N. A.; Patrakov, E. I.; Kamenskii, I. Yu.; Ustinov, V. V.

2016-12-01

Spin valves with a synthetic antiferromagnet have been prepared by magnetron sputtering. Regularities of the formation of single- and two-phase spin-flop states in the synthetic antiferromagnet have been studied using magnetoresistance measurements and imaging the magnetic structure. A thermomagnetic treatment of spin valve in a field that corresponds to the single-phase spin-flop state of synthetic antiferromagnet was shown to allow us to obtain a magnetically sensitive material characterized by hysteresis-free field dependence of the magnetoresistance.

Perovskite single crystals and thin films for optoelectronic devices (Conference Presentation)

NASA Astrophysics Data System (ADS)

Li, Gang; Han, Qifeng; Yang, Yang; Bae, Sang-Hoon; Sun, Pengyu

2016-09-01

Hybrid organolead trihalide perovskite (OTP) solar cells have developed as a promising candidate in photovoltaics due to their excellent properties including a direct bandgap, strong absorption coefficient, long carrier lifetime, and high mobility. Most recently, formamidinium (NH2CH=NH2+ or FA) lead iodide (FAPbI3) has attracted significant attention due to several advantages: (1) the larger organic FA cation can replace the MA cation and form a more symmetric crystal structure, (2) the smaller bandgap of FAPbI3 allows for near infrared (NIR) absorption, and (3) FAPbI3 has an elevated decomposition temperature and thus potential to improve stability. Single crystals provide an excellent model system to study the intrinsic electrical and optical properties of these materials due to their high purity, which is particularly important to understand the limits of these materials. In this work, we report the growth of large ( 5 millimeter size) single crystal FAPbI3 using a novel liquid based crystallization method. The single crystal FAPbI3 demonstrated a δ-phase to α-phase transition with a color change from yellow to black when heated to 185°C within approximately two minutes. The crystal structures of the two phases were identified and the PL emission peak of the α-phase FAPbI3 (820 nm) shows clear red-shift compared to the FAPbI3 thin film (805 nm). The FAPbI3 single crystal shows a long carrier lifetime of 484 ns, a high carrier mobility of 4.4 cm2·V-1·s-1, and even more interestingly a conductivity of 1.1 × 10-7(ohm·cm)-1, which is approximately one order of magnitude higher than that of the MAPbI3 single crystal. Finally, high performance photoconductivity type photodetectors were successfully demonstrated using the single crystal FAPbI3.

Piezoelectric and optoelectronic properties of electrospinning hybrid PVDF and ZnO nanofibers

NASA Astrophysics Data System (ADS)

Ma, Jian; Zhang, Qian; Lin, Kabin; Zhou, Lei; Ni, Zhonghua

2018-03-01

Polyvinylidene fluoride (PVDF) is a unique ferroelectric polymer with significant promise for energy harvesting, data storage, and sensing applications. ZnO is a wide direct band gap semiconductor (3.37 eV), commonly used as ultraviolet photodetectors, nanoelectronics, photonicsand piezoelectric generators. In this study, we produced high output piezoelectric energy harvesting materials using hybrid PVDF/ZnO nanofibers deposited via electrospinning. The strong electric fields and stretching forces during the electrospinning process helps to align dipoles in the nanofiber crystal such that the nonpolar α-phase (random orientation of dipoles) is transformed into polar β-phase in produced nanofibers. The effect of the additional ZnO nanowires on the nanofiber β-phase composition and output voltage are investigated. The maximum output voltage generated by a single hybrid PVDF and ZnO nanofiber (33 wt% ZnO nanowires) is over 300% of the voltage produced by a single nanofiber made of pure PVDF. The ZnO NWs served not only as a piezoelectric material, but also as a semiconducting material. The electrical conductivity of the hybrid PVDF/ZnO nanofibers increased by more than a factor of 4 when exposed under ultraviolet (UV) light.

Optimization of the crystal growth of the superconductor CaKFe4As4 from solution in the FeAs -CaFe2As2-KFe2As2 system

NASA Astrophysics Data System (ADS)

Meier, W. R.; Kong, T.; Bud'ko, S. L.; Canfield, P. C.

2017-06-01

Measurements of the anisotropic properties of single crystals play a crucial role in probing the physics of new materials. Determining a growth protocol that yields suitable high-quality single crystals can be particularly challenging for multicomponent compounds. Here we present a case study of how we refined a procedure to grow single crystals of CaKFe4As4 from a high temperature, quaternary liquid solution rich in iron and arsenic ("FeAs self-flux"). Temperature dependent resistance and magnetization measurements are emphasized, in addition to the x-ray diffraction, to detect intergrown CaKFe4As4 , CaFe2As2 , and KFe2As2 within what appear to be single crystals. Guided by the rules of phase equilibria and these data, we adjusted growth parameters to suppress formation of the impurity phases. The resulting optimized procedure yielded phase-pure single crystals of CaKFe4As4 . This optimization process offers insight into the growth of quaternary compounds and a glimpse of the four-component phase diagram in the pseudoternary FeAs -CaFe2As2-KFe2As2 system.

Synthesis of formamidinium lead iodide perovskite bulk single crystal and its optical properties

NASA Astrophysics Data System (ADS)

Zheng, Hongge; Duan, Junjie; Dai, Jun

2017-07-01

Formamidinium lead iodide (FAPbI3) is a promising hybrid perovskite material for optoelectronic devices. We synthesized bulk single crystal FAPbI3 by a rapid solution crystallization method. X-ray diffraction (XRD) was performed to characterize the crystal structure. Temperature-dependent photoluminescence (PL) spectra of the bulk single crystal FAPbI3 were measured from 10 to 300 K to explain PL recombination mechanism. It shows that near band edge emission blueshifts with the temperature increasing from 10 to 120 K and from 140 K to room temperature, a sudden emission band redshift demonstrates near 140 K because of the phase transition from orthorhombic phase to cubic phase. From the temperature-dependent PL spectra, the temperature coefficients of the bandgap and thermal activation energies of FAPbI3 perovskite are fitted.

Demonstration of single crystal growth via solid-solid transformation of a glass

DOE PAGES

Savytskii, Dmytro; Knorr, Brian; Dierolf, Volkmar; ...

2016-03-18

Many advanced technologies have relied on the availability of single crystals of appropriate material such as silicon for microelectronics or superalloys for turbine blades. Similarly, many promising materials could unleash their full potential if they were available in a single crystal form. However, the current methods are unsuitable for growing single crystals of these oftentimes incongruently melting, unstable or metastable materials. Here we demonstrate a strategy to overcome this hurdle by avoiding the gaseous or liquid phase, and directly converting glass into a single crystal. Specifically, Sb 2S 3 single crystals are grown in Sb-S-I glasses as an example ofmore » this approach. In this first unambiguous demonstration of an all-solid-state glass → crystal transformation, extraneous nucleation is avoided relative to crystal growth via spatially localized laser heating and inclusion of a suitable glass former in the composition. Lastly, the ability to fabricate patterned single-crystal architecture on a glass surface is demonstrated, providing a new class of micro-structured substrate for low cost epitaxial growth, active planar devices, etc.« less

A study of room-temperature LixMn1.5Ni0.5O4 solid solutions

PubMed Central

Saravanan, Kuppan; Jarry, Angelique; Kostecki, Robert; Chen, Guoying

2015-01-01

Understanding the kinetic implication of solid-solution vs. biphasic reaction pathways is critical for the development of advanced intercalation electrode materials. Yet this has been a long-standing challenge in materials science due to the elusive metastable nature of solid solution phases. The present study reports the synthesis, isolation, and characterization of room-temperature LixMn1.5Ni0.5O4 solid solutions. In situ XRD studies performed on pristine and chemically-delithiated, micron-sized single crystals reveal the thermal behavior of LixMn1.5Ni0.5O4 (0 ≤ x ≤ 1) cathode material consisting of three cubic phases: LiMn1.5Ni0.5O4 (Phase I), Li0.5Mn1.5Ni0.5O4 (Phase II) and Mn1.5Ni0.5O4 (Phase III). A phase diagram capturing the structural changes as functions of both temperature and Li content was established. The work not only demonstrates the possibility of synthesizing alternative electrode materials that are metastable in nature, but also enables in-depth evaluation on the physical, electrochemical and kinetic properties of transient intermediate phases and their role in battery electrode performance. PMID:25619504

A study of room-temperature Li xMn 1.5Ni 0.5O 4 solid solutions

DOE PAGES

Saravanan, Kuppan; Jarry, Angelique; Kostecki, Robert; ...

2015-01-26

Understanding the kinetic implication of solid-solution vs. biphasic reaction pathways is critical for the development of advanced intercalation electrode materials. Yet this has been a long-standing challenge in materials science due to the elusive metastable nature of solid solution phases. The present study reports the synthesis, isolation, and characterization of room-temperature Li xMn 1.5Ni 0.5O 4 solid solutions. In situ XRD studies performed on pristine and chemically-delithiated, micron-sized single crystals reveal the thermal behavior of Li xMn 1.5Ni 0.5O 4 (0 ≤ x ≤ 1) cathode material consisting of three cubic phases: LiMn 1.5Ni 0.5O 4 (Phase I), Li 0.5Mnmore » 1.5Ni 0.5O 4 (Phase II) and Mn 1.5Ni 0.5O 4 (Phase III). A phase diagram capturing the structural changes as functions of both temperature and Li content was established. In conclusion, the work not only demonstrates the possibility of synthesizing alternative electrode materials that are metastable in nature, but also enables in-depth evaluation on the physical, electrochemical and kinetic properties of transient intermediate phases and their role in battery electrode performance.« less

Single-phase and two-phase anaerobic digestion of fruit and vegetable waste: Comparison of start-up, reactor stability and process performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganesh, Rangaraj; Torrijos, Michel, E-mail: michel.torrijos@supagro.inra.fr; Sousbie, Philippe

Highlights: • Single-phase and two-phase systems were compared for fruit and vegetable waste digestion. • Single-phase digestion produced a methane yield of 0.45 m{sup 3} CH{sub 4}/kg VS and 83% VS removal. • Substrate solubilization was high in acidification conditions at 7.0 kg VS/m{sup 3} d and pH 5.5–6.2. • Energy yield was lower by 33% for two-phase system compared to the single-phase system. • Simple and straight-forward operation favored single phase process over two-phase process. - Abstract: Single-phase and two-phase digestion of fruit and vegetable waste were studied to compare reactor start-up, reactor stability and performance (methane yield, volatilemore » solids reduction and energy yield). The single-phase reactor (SPR) was a conventional reactor operated at a low loading rate (maximum of 3.5 kg VS/m{sup 3} d), while the two-phase system consisted of an acidification reactor (TPAR) and a methanogenic reactor (TPMR). The TPAR was inoculated with methanogenic sludge similar to the SPR, but was operated with step-wise increase in the loading rate and with total recirculation of reactor solids to convert it into acidification sludge. Before each feeding, part of the sludge from TPAR was centrifuged, the centrifuge liquid (solubilized products) was fed to the TPMR and centrifuged solids were recycled back to the reactor. Single-phase digestion produced a methane yield of 0.45 m{sup 3} CH{sub 4}/kg VS fed and VS removal of 83%. The TPAR shifted to acidification mode at an OLR of 10.0 kg VS/m{sup 3} d and then achieved stable performance at 7.0 kg VS/m{sup 3} d and pH 5.5–6.2, with very high substrate solubilization rate and a methane yield of 0.30 m{sup 3} CH{sub 4}/kg COD fed. The two-phase process was capable of high VS reduction, but material and energy balance showed that the single-phase process was superior in terms of volumetric methane production and energy yield by 33%. The lower energy yield of the two-phase system was due to the loss of energy during hydrolysis in the TPAR and the deficit in methane production in the TPMR attributed to COD loss due to biomass synthesis and adsorption of hard COD onto the flocs. These results including the complicated operational procedure of the two-phase process and the economic factors suggested that the single-phase process could be the preferred system for FVW.« less

Epitaxial stabilization and phase instability of VO2 polymorphs

NASA Astrophysics Data System (ADS)

Lee, Shinbuhm; Ivanov, Ilia N.; Keum, Jong K.; Lee, Ho Nyung

2016-01-01

The VO2 polymorphs, i.e., VO2(A), VO2(B), VO2(M1) and VO2(R), have a wide spectrum of functionalities useful for many potential applications in information and energy technologies. However, synthesis of phase pure materials, especially in thin film forms, has been a challenging task due to the fact that the VO2 polymorphs are closely related to each other in a thermodynamic framework. Here, we report epitaxial stabilization of the VO2 polymorphs to synthesize high quality single crystalline thin films and study the phase stability of these metastable materials. We selectively deposit all the phases on various perovskite substrates with different crystallographic orientations. By investigating the phase instability, phonon modes and transport behaviours, not only do we find distinctively contrasting physical properties of the VO2 polymorphs, but that the polymorphs can be on the verge of phase transitions when heated as low as ~400 °C. Our successful epitaxy of both VO2(A) and VO2(B) phases, which are rarely studied due to the lack of phase pure materials, will open the door to the fundamental studies of VO2 polymorphs for potential applications in advanced electronic and energy devices.

Epitaxial stabilization and phase instability of VO2 polymorphs.

PubMed

Lee, Shinbuhm; Ivanov, Ilia N; Keum, Jong K; Lee, Ho Nyung

2016-01-20

The VO2 polymorphs, i.e., VO2(A), VO2(B), VO2(M1) and VO2(R), have a wide spectrum of functionalities useful for many potential applications in information and energy technologies. However, synthesis of phase pure materials, especially in thin film forms, has been a challenging task due to the fact that the VO2 polymorphs are closely related to each other in a thermodynamic framework. Here, we report epitaxial stabilization of the VO2 polymorphs to synthesize high quality single crystalline thin films and study the phase stability of these metastable materials. We selectively deposit all the phases on various perovskite substrates with different crystallographic orientations. By investigating the phase instability, phonon modes and transport behaviours, not only do we find distinctively contrasting physical properties of the VO2 polymorphs, but that the polymorphs can be on the verge of phase transitions when heated as low as ~400 °C. Our successful epitaxy of both VO2(A) and VO2(B) phases, which are rarely studied due to the lack of phase pure materials, will open the door to the fundamental studies of VO2 polymorphs for potential applications in advanced electronic and energy devices.

Epitaxial stabilization and phase instability of VO2 polymorphs

PubMed Central

Lee, Shinbuhm; Ivanov, Ilia N.; Keum, Jong K.; Lee, Ho Nyung

2016-01-01

The VO2 polymorphs, i.e., VO2(A), VO2(B), VO2(M1) and VO2(R), have a wide spectrum of functionalities useful for many potential applications in information and energy technologies. However, synthesis of phase pure materials, especially in thin film forms, has been a challenging task due to the fact that the VO2 polymorphs are closely related to each other in a thermodynamic framework. Here, we report epitaxial stabilization of the VO2 polymorphs to synthesize high quality single crystalline thin films and study the phase stability of these metastable materials. We selectively deposit all the phases on various perovskite substrates with different crystallographic orientations. By investigating the phase instability, phonon modes and transport behaviours, not only do we find distinctively contrasting physical properties of the VO2 polymorphs, but that the polymorphs can be on the verge of phase transitions when heated as low as ~400 °C. Our successful epitaxy of both VO2(A) and VO2(B) phases, which are rarely studied due to the lack of phase pure materials, will open the door to the fundamental studies of VO2 polymorphs for potential applications in advanced electronic and energy devices. PMID:26787259

Short-Crack Growth Behaviour in Various Aircraft Materials (Le Developpement des Petites Fissures dans Divers Materiaux Aeronautiques)

DTIC Science & Technology

1990-08-01

precipitated aluna tha grain boundaries are the E phase (AI2Cu). 434._Steel- The steel specimens were manufactured from a single AISI 4340 steel plate, 9.5...crack behaviour on several materails such as aluminum alloys (3-6], steels (7,8], titanium alloys (9,10], aluminum-lithium alloys (11,12], copper ... phase are. describe~d In this report. All materials exhibited a "short-crack" effcct to somec extent. Thie effect was much less evident in 4340 steel

Reactivity and oxygen diffusion property of resistive barriers for Bi-2223/Ag tapes

NASA Astrophysics Data System (ADS)

Kováč, P.; Hušek, I.

2002-12-01

Reactivity of several oxide materials (OM) with BSCCO powder and oxygen diffusion through OM layer has been tested at temperature ≈840 °C in air. The OM (e.g.: BaZrO 3, SrCO 3, MgO and ZrO 2) showing the low or no reactivity with BSCCO have been mixed (10 wt.%) with precursor powder and used for single-core tapes. Bi-2223/Ag/OM/Ag single-core tapes with oxide barriers made of BaZrO 3, SrCO 3, ZrO 2 and Al 2O 3 have been also prepared by a standard powder-in-tube technique. The used OM in the direct contact with BSCCO influences the electrical properties of Bi-2223 phase differently. These is because the oxides react with BSCCO during the heat treatment and simultaneously affect the 2212→2223 phase transformation, the Bi-2223 grain growth and so also grain connectivity. SrCO 3 powder has been evaluated as the best material from the point of no destructive effect on 2223 phase transport current property. The oxide barrier controls the oxygen diffusion during the tape heat treatment and simultaneously the HTS phase formation kinetics, its purity and content within the superconducting core. For single-core Bi-2223/Ag/OM/Ag tapes, the highest current density was measured for Al 2O 3 due to only slightly reduced oxygen diffusion through the barrier.

Temperature Dependent Surface Structures and Electronic Properties of Organic-Inorganic Hybrid Perovskite Single Crystals

NASA Astrophysics Data System (ADS)

Jao, M.-H.; Teague, M. L.; Huang, J.-S.; Tseng, W.-S.; Yeh, N.-C.

Organic-inorganic hybrid perovskites, arising from research of low-cost high performance photovoltaics, have become promising materials not only for solar cells but also for various optoelectronic and spintronic applications. An interesting aspect of the hybrid perovskites is that their material properties, such as the band gap, can be easily tuned by varying the composition, temperature, and the crystalline phases. Additionally, the surface structure is critically important for their optoelectronic applications. It is speculated that different crystalline facets could show different trap densities, thus resulting in microscopically inhomogeneous performance. Here we report direct studies of the surface structures and electronic properties of hybrid perovskite CH3NH3PbI3 single crystals by scanning tunneling microscopy and spectroscopy (STM/STS). We found long-range spatially homogeneous tunneling conductance spectra with a well-defined energy gap of (1.55 +/- 0.1) eV at 300 K in the tetragonal phase, suggesting high quality of the single crystals. The energy gap increased to (1.81 +/- 0.1) eV in the orthorhombic phase, below the tetragonal-to-orthorhombic phase transition temperature at 150 K. Detailed studies of the temperature evolution in the spatially resolved surface structures and local density of states will be discussed to elucidate how these properties may influence the optoelectronic performance of the hybrid perovskites. We thank the support from NTU in Taiwan and from NSF in the US.

Reversible control of magnetic interactions by electric field in a single-phase material.

PubMed

Ryan, P J; Kim, J-W; Birol, T; Thompson, P; Lee, J-H; Ke, X; Normile, P S; Karapetrova, E; Schiffer, P; Brown, S D; Fennie, C J; Schlom, D G

2013-01-01

Intrinsic magnetoelectric coupling describes the interaction between magnetic and electric polarization through an inherent microscopic mechanism in a single-phase material. This phenomenon has the potential to control the magnetic state of a material with an electric field, an enticing prospect for device engineering. Here, we demonstrate 'giant' magnetoelectric cross-field control in a tetravalent titanate film. In bulk form, EuTiO(3), is antiferromagnetic. However, both anti and ferromagnetic interactions coexist between different nearest europium neighbours. In thin epitaxial films, strain was used to alter the relative strength of the magnetic exchange constants. We not only show that moderate biaxial compression precipitates local magnetic competition, but also demonstrate that the application of an electric field at this strain condition switches the magnetic ground state. Using first-principles density functional theory, we resolve the underlying microscopic mechanism resulting in G-type magnetic order and illustrate how it is responsible for the 'giant' magnetoelectric effect.

Alloy Engineering of Topological Semimetal Phase Transition in MgTa2 -xNbxN3

NASA Astrophysics Data System (ADS)

Huang, Huaqing; Jin, Kyung-Hwan; Liu, Feng

2018-03-01

Dirac, triple-point, and Weyl fermions represent three topological semimetal phases, characterized with a descending degree of band degeneracy, which have been realized separately in specific crystalline materials with different lattice symmetries. Here we demonstrate an alloy engineering approach to realize all three types of fermions in one single material system of MgTa2 -xNbx N3 . Based on symmetry analysis and first-principles calculations, we map out a phase diagram of topological order in the parameter space of alloy concentration and crystalline symmetry, where the intrinsic MgTa2 N3 with the highest symmetry hosts the Dirac semimetal phase, which transforms into the triple-point and then the Weyl semimetal phases with increasing Nb concentration that lowers the crystalline symmetries. Therefore, alloy engineering affords a unique approach for the experimental investigation of topological transitions of semimetallic phases manifesting different fermionic behaviors.

Optical study of phase transitions in single-crystalline RuP

NASA Astrophysics Data System (ADS)

Chen, R. Y.; Shi, Y. G.; Zheng, P.; Wang, L.; Dong, T.; Wang, N. L.

2015-03-01

RuP single crystals of MnP-type orthorhombic structure were synthesized by the Sn flux method. Temperature-dependent x-ray diffraction measurements reveal that the compound experiences two structural phase transitions, which are further confirmed by enormous anomalies shown in temperature-dependent resistivity and magnetic susceptibility. Particularly, the resistivity drops monotonically upon temperature cooling below the second transition, indicating that the material shows metallic behavior, in sharp contrast with the insulating ground state of polycrystalline samples. Optical conductivity measurements were also performed in order to unravel the mechanism of these two transitions. The measurement revealed a sudden reconstruction of band structure over a broad energy scale and a significant removal of conducting carriers below the first phase transition, while a charge-density-wave-like energy gap opens below the second phase transition.

Mechanical characterization of Ti-6Al-4V titanium alloy at multiple length scales using spherical indentation stress-strain measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weaver, Jordan S.; Kalidindi, Surya R.

Recent advances in spherical indentation stress-strain protocols and analyses have demonstrated the capability for measuring reliably the local mechanical responses in polycrystalline metal samples at different length scales, ranging from sub-micron (regions within individual grains) to several hundreds of microns (regions covering several grains). These recent advances have now made it possible to study systematically the mechanical behavior of a single material system at different length scales, with tremendous potential to obtain new insights into the role of individual phases, interfaces, and other microscale constituents on the macroscale mechanical response of the material. In this paper, we report spherical indentationmore » stress-strain measurements with different indenter sizes (microns to millimeters) on Ti-6Al-4V (Ti-64) which capture the mechanical response of single phase alpha-Ti-64, single colony (alpha-beta), few colonies, and many colonies of Ti-64. The results show that the average mechanical response (indentation modulus and yield strength) from multiple indentations remains relatively unchanged from single phase alpha to many colonies of Ti-64, while the variance in the response decreases with indenter size. In conclusion, the work-hardening response in indentation tests follows a similar behavior up to indentation zones of many colonies, which shows significantly higher work hardening rates.« less

Mechanical characterization of Ti-6Al-4V titanium alloy at multiple length scales using spherical indentation stress-strain measurements

DOE PAGES

Weaver, Jordan S.; Kalidindi, Surya R.

2016-12-01

Recent advances in spherical indentation stress-strain protocols and analyses have demonstrated the capability for measuring reliably the local mechanical responses in polycrystalline metal samples at different length scales, ranging from sub-micron (regions within individual grains) to several hundreds of microns (regions covering several grains). These recent advances have now made it possible to study systematically the mechanical behavior of a single material system at different length scales, with tremendous potential to obtain new insights into the role of individual phases, interfaces, and other microscale constituents on the macroscale mechanical response of the material. In this paper, we report spherical indentationmore » stress-strain measurements with different indenter sizes (microns to millimeters) on Ti-6Al-4V (Ti-64) which capture the mechanical response of single phase alpha-Ti-64, single colony (alpha-beta), few colonies, and many colonies of Ti-64. The results show that the average mechanical response (indentation modulus and yield strength) from multiple indentations remains relatively unchanged from single phase alpha to many colonies of Ti-64, while the variance in the response decreases with indenter size. In conclusion, the work-hardening response in indentation tests follows a similar behavior up to indentation zones of many colonies, which shows significantly higher work hardening rates.« less

Two-Step Vapor/Liquid/Solid Purification

NASA Technical Reports Server (NTRS)

Holland, L. R.

1986-01-01

Vertical distillation system combines in single operation advantages of multiple zone refining with those of distillation. Developed specifically to load Bridgman-Stockbarger (vertical-solidification) growth ampoules with ultrapure tellurium and cadmium, system, with suitable modifications, serves as material refiner. In first phase of purification process, ampoule heated to drive off absorbed volatiles. Second phase, evaporator heated to drive off volatiles in charge. Third phase, slowly descending heater causes distillation from evaporator to growing crystal in ampoule.

Effects of Phase Transformations and Dynamic Material Strength on Hydrodynamic Instability Evolution in Metals

NASA Astrophysics Data System (ADS)

Opie, Saul

Hydrodynamic phenomena such as the Rayleigh-Taylor (RT) and Richtmyer-Meshkov (RM) instabilities can be described by exponential/linear growth of surface perturbations at a bimaterial interface when subjected to constant/impulsive acceleration. A challenge in designing systems to mitigate or exploit these effects is the lack of accurate material models at large dynamic strain rates and pressures. In particular, little stress-strain constitutive information at large strain rates and pressures is available for transient material phases formed at high pressures, and the continuum effect the phase transformation process has on the instability evolution. In this work, a phase-aware isotropic strength model is developed and partially validated with a novel RM-based instability experiment in addition to existing data from the literature. With the validated material model additional simulations are performed to provide insight into to the role that robust material constitutive behavior (e.g., pressure, temperature, rate dependence) has on RM instability and how RM instability experiments can be used to characterize and validated expected material behavior. For phase aware materials, particularly iron in this work, the simulations predict a strong dependence on the Atwood number that single phase materials do not have. At Atwood numbers close to unity, and pressures in the high pressure stability region, the high pressure phase dominates the RM evolution. However, at Atwood numbers close to negative one, the RM evolution is only weakly affected by the high-pressure phase even for shocks well above the phase transformation threshold. In addition to RM evolution this work looks at the closely related shock front perturbation evolution. Existing analytical models for isentropic processes in gases and liquids are modified for metal equation of states and plastic behavior for the first time. It is found that the presence of a volume collapsing phase transformation with increased pressure causes shock front perturbations to decay sooner, while plastic strength has the opposite effect which is significantly different from the effect viscosity has. These results suggest additional experimental setups to validate material models, or relevant material parameters that can be optimized for system design objectives, e.g., minimize feed through perturbations in inertial confinement fusion capsules.

Quantitative evaluation of the piezoelectric response of unpoled ferroelectric ceramics from elastic and dielectric measurements: Tetragonal BaTiO3

NASA Astrophysics Data System (ADS)

Cordero, F.

2018-03-01

A method is proposed for evaluating the potential piezoelectric response, that a ferroelectric material would exhibit after full poling, from elastic and dielectric measurements of the unpoled ceramic material. The method is based on the observation that the softening in a ferroelectric phase with respect to the paraelectric phase is of piezoelectric origin, and is tested on BaTiO3. The angular averages of the piezoelectric softening in unpoled ceramics are calculated for ferroelectric phases of different symmetries. The expression of the orientational average with the piezoelectric and dielectric constants of single crystal tetragonal BaTiO3 from the literature reproduces well the softening of the Young's modulus of unpoled ceramic BaTiO3, after a correction for the porosity. The agreement is good in the temperature region sufficiently far from the Curie temperature and from the transition to the orthorhombic phase, where the effect of fluctuations should be negligible, but deviations are found outside this region, and possible reasons for this are discussed. This validates the determination of the piezoelectric response by means of purely elastic measurements on unpoled samples. The method is indirect and, for quantitative assessments, requires the knowledge of the dielectric tensor. On the other hand, it does not require poling of the sample, and therefore is insensitive to inaccuracies from incomplete poling, and can even be used with materials that cannot be poled, for example, due to excessive electrical conductivity. While the proposed example of the Young's modulus of a ceramic provides an orientational average of all the single crystal piezoelectric constants, a Resonant Ultrasound Spectroscopy measurement of a single unpoled ceramic sample through the ferroelectric transition can in principle measure all the piezoelectric constants, together with the elastic ones.

An equivalent dipole analysis of PZT ceramics and lead-free piezoelectric single crystals

NASA Astrophysics Data System (ADS)

Bell, Andrew J.

2016-04-01

The recently proposed Equivalent Dipole Model for describing the electromechanical properties of ionic solids in terms of 3 ions and 2 bonds has been applied to PZT ceramics and lead-free single crystal piezoelectric materials, providing analysis in terms of an effective ionic charge and the asymmetry of the interatomic force constants. For PZT it is shown that, as a function of composition across the morphotropic phase boundary, the dominant bond compliance peaks at 52% ZrO2. The stiffer of the two bonds shows little composition dependence with no anomaly at the phase boundary. The effective charge has a maximum value at 50% ZrO2, decreasing across the phase boundary region, but becoming constant in the rhombohedral phase. The single crystals confirm that both the asymmetry in the force constants and the magnitude of effective charge are equally important in determining the values of the piezoelectric charge coefficient and the electromechanical coupling coefficient. Both are apparently temperature dependent, increasing markedly on approaching the Curie temperature.

CFD Analysis of different types of single basin solar stills

NASA Astrophysics Data System (ADS)

Maheswari, C. Uma; Meenakshi Reddy, R.

2018-03-01

The current work deals with the numerical and experimental analysis of a solar still of single basin with improved models of stepped, finned, PCM (Phase modification Materials) instrumentation in single slope. The work is additionally extended to double slope solar still of single basin and also the performances were compared with one another. The one slope basin inclinations were compared for 15° and 20°. From the investigations it had been ascertained that single slope with 20° and PCM instrumentation has given the upper productivity compared to different sorts.

In Situ Observation of Single-Phase Lithium Intercalation in Sub-25-nm Nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Li; Liu, Yang; Han, Wei-Qiang

Although a non-equilibrium single-phase reaction, with the absence of nucleation and growth of a second phase, is believed to be a key factor for high-rate performance of lithium-ion batteries, it is thermodynamically unfavorable and usually proceeds in electrode materials with small particle sizes (tens of nanometers). Unfortunately, the phase evolutions inside such small particles are often shrouded by the macroscopic inhomogeneous reactions of electrodes containing millions of particles, leading to intensive debate over the size-dependent microscopic reaction mechanisms. Here, we provide a generally applicable methodology based on in-situ electron diffraction study on a multi-particle system to track the lithiation pathwaysmore » in individual nanoparticles, and unambiguously reveal that lithiation of anatase TiO 2, previously long believed to be biphasic, converts to a single-phase reaction when the particle size is below ~25 nm. Our results imply the prevalence of such a size-dependent transition in lithiation mechanism among intercalation compounds whose lithium miscibility gaps are associated with a prominent size effect, and therefore provide important guidelines for designing high-power electrodes, especially cathodes.« less

In Situ Observation of Single-Phase Lithium Intercalation in Sub-25-nm Nanoparticles

DOE PAGES

Zhong, Li; Liu, Yang; Han, Wei-Qiang; ...

2017-05-05

Although a non-equilibrium single-phase reaction, with the absence of nucleation and growth of a second phase, is believed to be a key factor for high-rate performance of lithium-ion batteries, it is thermodynamically unfavorable and usually proceeds in electrode materials with small particle sizes (tens of nanometers). Unfortunately, the phase evolutions inside such small particles are often shrouded by the macroscopic inhomogeneous reactions of electrodes containing millions of particles, leading to intensive debate over the size-dependent microscopic reaction mechanisms. Here, we provide a generally applicable methodology based on in-situ electron diffraction study on a multi-particle system to track the lithiation pathwaysmore » in individual nanoparticles, and unambiguously reveal that lithiation of anatase TiO 2, previously long believed to be biphasic, converts to a single-phase reaction when the particle size is below ~25 nm. Our results imply the prevalence of such a size-dependent transition in lithiation mechanism among intercalation compounds whose lithium miscibility gaps are associated with a prominent size effect, and therefore provide important guidelines for designing high-power electrodes, especially cathodes.« less

Successive Phase Transitions and Magnetic Fluctuation in a Double-Perovskite NdBaMn2O6 Single Crystal

NASA Astrophysics Data System (ADS)

Yamada, S.; Sagayama, H.; Sugimoto, K.; Arima, T.

2018-03-01

We have succeeded in growing large high-quality single crystals of double-perovskite NdBaMn2O6 with c-axis aligned. Curie-Weiss paramagnetism and metallic conduction are observed above 290 K (TMI ). The magnetic susceptibility suddenly drops at TMI accompanied by a metal-insulator transition. Pervious studies using polycrystalline samples proposed that this material undergoes a ferromagnetic phase transition near 300K, and that the magnetic anomaly at TMI should be ascribed to layered antiferromagnetic phase transition. However, single-crystalline samples do not show any anomaly that indicates the ferromagnetic phase transition above TMI . We assign the onset of magnetic anisotropy at 235 K as antiferromagnetic transition temperature TN . Though the magnetization just above TMI shows the ferromagnetic-like magnetic-field dependence, the magnetization does not saturate under 70kOe at 300K. The magnetization behavior implies ferromagnetic fluctuation in the paramagnetic phase. The ferromagnetic fluctuation are also observed just below TMI . Because a metamagnetic transition is observed at a higher magnetic field, the ferromagnetic fluctuation competes with antiferromagnetic fluctuation in this temperature range.

Logic computation in phase change materials by threshold and memory switching.

PubMed

Cassinerio, M; Ciocchini, N; Ielmini, D

2013-11-06

Memristors, namely hysteretic devices capable of changing their resistance in response to applied electrical stimuli, may provide new opportunities for future memory and computation, thanks to their scalable size, low switching energy and nonvolatile nature. We have developed a functionally complete set of logic functions including NOR, NAND and NOT gates, each utilizing a single phase-change memristor (PCM) where resistance switching is due to the phase transformation of an active chalcogenide material. The logic operations are enabled by the high functionality of nanoscale phase change, featuring voltage comparison, additive crystallization and pulse-induced amorphization. The nonvolatile nature of memristive states provides the basis for developing reconfigurable hybrid logic/memory circuits featuring low-power and high-speed switching. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Annual Technical Report, Materials Research Laboratory, 1 July 1984 - 30 June 1986.

DTIC Science & Technology

1986-06-30

4 -’ Section 2 -Inorganic Glasses , Introduction ....... ........... ........................... 54 Research Results...Inorganic Glasses (coordinated by W. M. Risen, Jr.) Surfaces (coordinated by P. J. Estrup). In addition, MRL supported thrce New Initiatives: Physical...on a series of closely related " phenomena in two-phase polycrystalline materials, single crystals and metallic glasses . Although these research

Phase retrieval by coherent modulation imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fucai; Chen, Bo; Morrison, Graeme R.

Phase retrieval is a long-standing problem in imaging when only the intensity of the wavefield can be recorded. Coherent diffraction imaging (CDI) is a lensless technique that uses iterative algorithms to recover amplitude and phase contrast images from diffraction intensity data. For general samples, phase retrieval from a single diffraction pattern has been an algorithmic and experimental challenge. Here we report a method of phase retrieval that uses a known modulation of the sample exit-wave. This coherent modulation imaging (CMI) method removes inherent ambiguities of CDI and uses a reliable, rapidly converging iterative algorithm involving three planes. It works formore » extended samples, does not require tight support for convergence, and relaxes dynamic range requirements on the detector. CMI provides a robust method for imaging in materials and biological science, while its single-shot capability will benefit the investigation of dynamical processes with pulsed sources, such as X-ray free electron laser.« less

Phase retrieval by coherent modulation imaging

DOE PAGES

Zhang, Fucai; Chen, Bo; Morrison, Graeme R.; ...

2016-11-18

Phase retrieval is a long-standing problem in imaging when only the intensity of the wavefield can be recorded. Coherent diffraction imaging (CDI) is a lensless technique that uses iterative algorithms to recover amplitude and phase contrast images from diffraction intensity data. For general samples, phase retrieval from a single diffraction pattern has been an algorithmic and experimental challenge. Here we report a method of phase retrieval that uses a known modulation of the sample exit-wave. This coherent modulation imaging (CMI) method removes inherent ambiguities of CDI and uses a reliable, rapidly converging iterative algorithm involving three planes. It works formore » extended samples, does not require tight support for convergence, and relaxes dynamic range requirements on the detector. CMI provides a robust method for imaging in materials and biological science, while its single-shot capability will benefit the investigation of dynamical processes with pulsed sources, such as X-ray free electron laser.« less

Isochronic carrier-envelope phase-shift compensator.

PubMed

Görbe, Mihaly; Osvay, Karoly; Grebing, Christian; Steinmeyer, Günter

2008-11-15

A concept for orthogonal control of phase and group delay inside a laser cavity by a specially designed compensator assembly is discussed. Similar to the construction of variable polarization retarder, this assembly consists of two thin wedge prisms made from appropriately chosen optical materials. Being shifted as a whole, the assembly allows changing the phase delay with no influence on the cavity round-trip time, whereas relative shifting of the prisms enables adjustment of the latter. This scheme is discussed theoretically and verified experimentally, indicating a factor 30 reduction of the influence on the repetition rate compared to the commonly used silica wedge pair. For a 2pi adjustment of the carrier-envelope phase shift, single-pass timing differences are reduced to the single-femtosecond regime. With negligible distortions of timing and dispersion, the described compensator device greatly simplifies carrier-envelope phase control and experiments in extreme nonlinear optics. Copyright (c) 2008 Optical Society of America.

Phase retrieval by coherent modulation imaging.

PubMed

Zhang, Fucai; Chen, Bo; Morrison, Graeme R; Vila-Comamala, Joan; Guizar-Sicairos, Manuel; Robinson, Ian K

2016-11-18

Phase retrieval is a long-standing problem in imaging when only the intensity of the wavefield can be recorded. Coherent diffraction imaging is a lensless technique that uses iterative algorithms to recover amplitude and phase contrast images from diffraction intensity data. For general samples, phase retrieval from a single-diffraction pattern has been an algorithmic and experimental challenge. Here we report a method of phase retrieval that uses a known modulation of the sample exit wave. This coherent modulation imaging method removes inherent ambiguities of coherent diffraction imaging and uses a reliable, rapidly converging iterative algorithm involving three planes. It works for extended samples, does not require tight support for convergence and relaxes dynamic range requirements on the detector. Coherent modulation imaging provides a robust method for imaging in materials and biological science, while its single-shot capability will benefit the investigation of dynamical processes with pulsed sources, such as X-ray free-electron lasers.

First-order reversal curve of the magnetostructural phase transition in FeTe

DOE PAGES

Frampton, M. K.; Crocker, J.; Gilbert, D. A.; ...

2017-06-05

We apply the first-order reversal curve (FORC) method, adapted from studies of ferromagnetic materials, to the magnetostructural phase transition of Fe 1+yTe. FORC measurements reveal two features in the hysteretic phase transition, even in samples where traditional temperature measurements display only a single transition. For Fe 1.13Te, the influence of magnetic field suggests that the main feature is primarily structural while a smaller, slightly higher-temperature transition is magnetic in origin. By contrast, Fe 1.03Te has a single transition which shows a uniform response to magnetic field, indicating a stronger coupling of the magnetic and structural phase transitions. We also introducemore » uniaxial stress, which spreads the distribution width without changing the underlying energy barrier of the transformation. Finally, the work shows how FORC can help disentangle the roles of the magnetic and structural phase transitions in FeTe.« less

Role of intermediate phase for stable cycling of Na7V4(P2O7)4PO4 in sodium ion battery

PubMed Central

Lim, Soo Yeon; Kim, Heejin; Chung, Jaehoon; Lee, Ji Hoon; Kim, Byung Gon; Choi, Jeon-Jin; Chung, Kyung Yoon; Cho, Woosuk; Kim, Seung-Joo; Goddard, William A.; Jung, Yousung; Choi, Jang Wook

2014-01-01

Sodium ion batteries offer promising opportunities in emerging utility grid applications because of the low cost of raw materials, yet low energy density and limited cycle life remain critical drawbacks in their electrochemical operations. Herein, we report a vanadium-based ortho-diphosphate, Na7V4(P2O7)4PO4, or VODP, that significantly reduces all these drawbacks. Indeed, VODP exhibits single-valued voltage plateaus at 3.88 V vs. Na/Na+ while retaining substantial capacity (>78%) over 1,000 cycles. Electronic structure calculations reveal that the remarkable single plateau and cycle life originate from an intermediate phase (a very shallow voltage step) that is similar both in the energy level and lattice parameters to those of fully intercalated and deintercalated states. We propose a theoretical scheme in which the reaction barrier that arises from lattice mismatches can be evaluated by using a simple energetic consideration, suggesting that the presence of intermediate phases is beneficial for cell kinetics by buffering the differences in lattice parameters between initial and final phases. We expect these insights into the role of intermediate phases found for VODP hold in general and thus provide a helpful guideline in the further understanding and design of battery materials. PMID:24379365

Role of intermediate phase for stable cycling of Na7V4(P2O7)4PO4 in sodium ion battery.

PubMed

Lim, Soo Yeon; Kim, Heejin; Chung, Jaehoon; Lee, Ji Hoon; Kim, Byung Gon; Choi, Jeon-Jin; Chung, Kyung Yoon; Cho, Woosuk; Kim, Seung-Joo; Goddard, William A; Jung, Yousung; Choi, Jang Wook

2014-01-14

Sodium ion batteries offer promising opportunities in emerging utility grid applications because of the low cost of raw materials, yet low energy density and limited cycle life remain critical drawbacks in their electrochemical operations. Herein, we report a vanadium-based ortho-diphosphate, Na7V4(P2O7)4PO4, or VODP, that significantly reduces all these drawbacks. Indeed, VODP exhibits single-valued voltage plateaus at 3.88 V vs. Na/Na(+) while retaining substantial capacity (>78%) over 1,000 cycles. Electronic structure calculations reveal that the remarkable single plateau and cycle life originate from an intermediate phase (a very shallow voltage step) that is similar both in the energy level and lattice parameters to those of fully intercalated and deintercalated states. We propose a theoretical scheme in which the reaction barrier that arises from lattice mismatches can be evaluated by using a simple energetic consideration, suggesting that the presence of intermediate phases is beneficial for cell kinetics by buffering the differences in lattice parameters between initial and final phases. We expect these insights into the role of intermediate phases found for VODP hold in general and thus provide a helpful guideline in the further understanding and design of battery materials.

Emerging single-phase state in small manganite nanodisks

DOE PAGES

Shao, Jian; Liu, Hao; Zhang, Kai; ...

2016-08-01

In complex oxides systems such as manganites, electronic phase separation (EPS), a consequence of strong electronic correlations, dictates the exotic electrical and magnetic properties of these materials. A fundamental yet unresolved issue is how EPS responds to spatial confinement; will EPS just scale with size of an object, or will the one of the phases be pinned? Understanding this behavior is critical for future oxides electronics and spintronics because scaling down of the system is unavoidable for these applications. In this work, we use La 0.325Pr 0.3Ca 0.375MnO 3 (LPCMO) single crystalline disks to study the effect of spatial confinementmore » on EPS. The EPS state featuring coexistence of ferromagnetic metallic and charge order insulating phases appears to be the low-temperature ground state in bulk, thin films, and large disks, a previously unidentified ground state (i.e., a single ferromagnetic phase state emerges in smaller disks). The critical size is between 500 nm and 800 nm, which is similar to the characteristic length scale of EPS in the LPCMO system. The ability to create a pure ferromagnetic phase in manganite nanodisks is highly desirable for spintronic applications.« less

Precipitation behavior of AlxCoCrFeNi high entropy alloys under ion irradiation

NASA Astrophysics Data System (ADS)

Yang, Tengfei; Xia, Songqin; Liu, Shi; Wang, Chenxu; Liu, Shaoshuai; Fang, Yuan; Zhang, Yong; Xue, Jianming; Yan, Sha; Wang, Yugang

2016-08-01

Materials performance is central to the satisfactory operation of current and future nuclear energy systems due to the severe irradiation environment in reactors. Searching for structural materials with excellent irradiation tolerance is crucial for developing the next generation nuclear reactors. Here, we report the irradiation responses of a novel multi-component alloy system, high entropy alloy (HEA) AlxCoCrFeNi (x = 0.1, 0.75 and 1.5), focusing on their precipitation behavior. It is found that the single phase system, Al0.1CoCrFeNi, exhibits a great phase stability against ion irradiation. No precipitate is observed even at the highest fluence. In contrast, numerous coherent precipitates are present in both multi-phase HEAs. Based on the irradiation-induced/enhanced precipitation theory, the excellent structural stability against precipitation of Al0.1CoCrFeNi is attributed to the high configurational entropy and low atomic diffusion, which reduces the thermodynamic driving force and kinetically restrains the formation of precipitate, respectively. For the multiphase HEAs, the phase separations and formation of ordered phases reduce the system configurational entropy, resulting in the similar precipitation behavior with corresponding binary or ternary conventional alloys. This study demonstrates the structural stability of single-phase HEAs under irradiation and provides important implications for searching for HEAs with higher irradiation tolerance.

Two-Dimensional Superconductivity in the Cuprates Revealed by Atomic-Layer-by- Layer Molecular Beam Epitaxy

DOE PAGES

A. T. Bollinger; Bozovic, I.

2016-08-12

Various electronic phases displayed by cuprates that exhibit high temperature superconductivity continue to attract much interest. We provide a short review of several experiments that we have performed aimed at investigating the superconducting state in these compounds. Measurements on single-phase films, bilayers, and superlattices all point to the conclusion that the high-temperature superconductivity in these materials is an essentially quasi-two dimensional phenomenon. With proper control over the film growth, high-temperature superconductivity can exist in a single copper oxide plane with the critical temperatures as high as that achieved in the bulk samples.

Observations and implications of liquid–liquid phase separation at high relative humidities in secondary organic material produced by α-pinene ozonolysis without inorganic salts

DOE PAGES

Renbaum-Wolff, Lindsay; Song, Mijung; Marcolli, Claudia; ...

2016-07-01

Particles consisting of secondary organic material (SOM) are abundant in the atmosphere. In order to predict the role of these particles in climate, visibility and atmospheric chemistry, information on particle phase state (i.e., single liquid, two liquids and solid) is needed. Our paper focuses on the phase state of SOM particles free of inorganic salts produced by the ozonolysis of α-pinene. Phase transitions were investigated in the laboratory using optical microscopy and theoretically using a thermodynamic model at 290 K and for relative humidities ranging from < 0.5 to 100%. In the laboratory studies, a single phase was observed frommore » 0 to 95% relative humidity (RH) while two liquid phases were observed above 95% RH. For increasing RH, the mechanism of liquid–liquid phase separation (LLPS) was spinodal decomposition. The RH range over which two liquid phases were observed did not depend on the direction of RH change. In the modeling studies, the SOM took up very little water and was a single organic-rich phase at low RH values. At high RH, the SOM underwent LLPS to form an organic-rich phase and a water-rich phase, consistent with the laboratory studies. The presence of LLPS at high RH values can have consequences for the cloud condensation nuclei (CCN) activity of SOM particles. In the simulated Köhler curves for SOM particles, two local maxima were observed. Depending on the composition of the SOM, the first or second maximum can determine the critical supersaturation for activation. Recently researchers have observed inconsistencies between measured CCN properties of SOM particles and hygroscopic growth measured below water saturation (i.e., hygroscopic parameters measured below water saturation were inconsistent with hygroscopic parameters measured above water saturation). Furthermore, the work presented here illustrates that such inconsistencies are expected for systems with LLPS when the water uptake at subsaturated conditions represents the hygroscopicity of an organic-rich phase while the barrier for CCN activation can be determined by the second maximum in the Köhler curve when the particles are water rich.« less

Plastic behavior of two-phase intermetallic compounds based on L1{sub 2}-type (Al,Cr){sub 3}Ti

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, J.Y.; Wee, D.M.; Oh, M.H.

Plastic behavior of two-phase intermetallic compounds based on L1{sub 2}-type (Al,Cr){sub 3}Ti was investigated using compression test at R.T. and 77K. L1{sub 2} single phase alloys and two-phase alloys consisting of mainly L1{sub 2} phase and a few or 20% (mole percent) second phases were selected from Al-Ti-Cr phase diagram. In general, compared with L1{sub 2} single phase, two-phase alloys consisting of 20% second phase showed relatively high yield strength and poor ductility. Among the alloys, however, Al-21Ti-23Cr alloy consisting of 20% Cr{sub 2}Al phase showed available ductility as well as high yield strength. Plastic behavior of L1{sub 2} singlemore » phase alloys and two-phase alloys consisting of a few Cr{sub 2}Al was also investigated. Homogenization of arc melted ingots substantially reduced the amount of second phases but introduced extensive pore. When Cr content increased in L1{sub 2} single phase alloys after the homogenization, the volume fraction of pores in the alloys decreased, and no residual porosity was observed in two-phase alloys consisting of a few% Cr{sub 2}Al phase. Environmental effect on the ductility of the alloys was investigated using compression test at different strain rates (1.2 {times} 10{sup {minus}4}/s and 1.2 {times} 10{sup {minus}2}/s). Environmental embrittlement was least significant in Al-25Ti-10Cr alloy consisting of L1{sub 2} single phase among the alloys tested in this study. However, based on the combined estimation of the pore formation, environmental embrittlement and ingot cast structure, it could be supposed that Al-21Ti-23Cr alloy consisting of 20% Cr{sub 2}Al as a second phase is expected to show the best tensile elongation behavior among the materials tested.« less

Microstructure characterization via stereological relations — A shortcut for beginners

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pabst, Willi, E-mail: pabstw@vscht.cz; Gregorová, Eva; Uhlířová, Tereza

Stereological relations that can be routinely applied for the quantitative characterization of microstructures of heterogeneous single- and two-phase materials via global microstructural descriptors are reviewed. It is shown that in the case of dense, single-phase polycrystalline materials (e.g., transparent yttrium aluminum garnet ceramics) two quantities have to be determined, the interface density (or, equivalently, the mean chord length of the grains) and the mean curvature integral density (or, equivalently, the Jeffries grain size), while for two-phase materials (e.g., highly porous, cellular alumina ceramics), one additional quantity, the volume fraction (porosity), is required. The Delesse–Rosiwal law is recalled and size measuresmore » are discussed. It is shown that the Jeffries grain size is based on the triple junction line length density, while the mean chord length of grains is based on the interface density (grain boundary area density). In contrast to widespread belief, however, these two size measures are not alternative, but independent (and thus complementary), measures of grain size. Concomitant with this fact, a clear distinction between linear and planar grain size numbers is proposed. Finally, based on our concept of phase-specific quantities, it is shown that under certain conditions it is possible to define a Jeffries size also for two-phase materials and that the ratio of the mean chord length and the Jeffries size has to be considered as an invariant number for a certain type of microstructure, i.e., a characteristic value that is independent of the absolute size of the microstructural features (e.g., grains, inclusions or pores). - Highlights: • Stereology-based image analysis is reviewed, including error considerations. • Recipes are provided for measuring global metric microstructural descriptors. • Size measures are based on interface density and mean curvature integral density. • Phase-specific quantities and a generalized Jeffries size are introduced. • Linear and planar grain size numbers are clearly distinguished and explained.« less

Quantitative experimental determination of the solid solution hardening potential of rhenium, tungsten and molybdenum in single-crystal nickel-based superalloys

DOE PAGES

Fleischmann, Ernst; Miller, Michael K.; Affeldt, Ernst; ...

2015-01-31

Here, the solid-solution hardening potential of the refractory elements rhenium, tungsten and molybdenum in the matrix of single-crystal nickel-based superalloys was experimentally quantified. Single-phase alloys with the composition of the nickel solid-solution matrix of superalloys were cast as single crystals, and tested in creep at 980 °C and 30–75 MPa. The use of single-phase single-crystalline material ensures very clean data because no grain boundary or particle strengthening effects interfere with the solid-solution hardening. This makes it possible to quantify the amount of rhenium, tungsten and molybdenum necessary to reduce the creep rate by a factor of 10. Rhenium is moremore » than two times more effective for matrix strengthening than either tungsten or molybdenum. The existence of rhenium clusters as a possible reason for the strong strengthening effect is excluded as a result of atom probe tomography measurements. If the partitioning coefficient of rhenium, tungsten and molybdenum between the γ matrix and the γ' precipitates is taken into account, the effectiveness of the alloying elements in two-phase superalloys can be calculated and the rhenium effect can be explained.« less

Disorder-induced stiffness degradation of highly disordered porous materials

NASA Astrophysics Data System (ADS)

Laubie, Hadrien; Monfared, Siavash; Radjaï, Farhang; Pellenq, Roland; Ulm, Franz-Josef

2017-09-01

The effective mechanical behavior of multiphase solid materials is generally modeled by means of homogenization techniques that account for phase volume fractions and elastic moduli without considering the spatial distribution of the different phases. By means of extensive numerical simulations of randomly generated porous materials using the lattice element method, the role of local textural properties on the effective elastic properties of disordered porous materials is investigated and compared with different continuum micromechanics-based models. It is found that the pronounced disorder-induced stiffness degradation originates from stress concentrations around pore clusters in highly disordered porous materials. We identify a single disorder parameter, φsa, which combines a measure of the spatial disorder of pores (the clustering index, sa) with the pore volume fraction (the porosity, φ) to scale the disorder-induced stiffness degradation. Thus, we conclude that the classical continuum micromechanics models with one spherical pore phase, due to their underlying homogeneity assumption fall short of addressing the clustering effect, unless additional texture information is introduced, e.g. in form of the shift of the percolation threshold with disorder, or other functional relations between volume fractions and spatial disorder; as illustrated herein for a differential scheme model representative of a two-phase (solid-pore) composite model material.

All optical controlled photonic integrated circuits using azo dye functionized sol-gel material

NASA Astrophysics Data System (ADS)

Ke, Xianjun

The main focus of this dissertation is development and characterization of all-optical controllable azo dye functionized sol gel material, demonstrating a PIC fabrication technique on glass substrate using such material, and exploration and feasibility demonstration of three PIC functional devices namely optical variable attenuator, optical switches, and optical tunable filters using the material. The realization of all the devices in this dissertation are based on one material: dye functionalized sol-gel material. A photochromic sol-gel material functionalized with azo dye was synthesized and characterized. It possesses a photochromic characteristic under the control of green laser beam illumination. The material characteristics suggest the possibility of a new promising material platform candidate for the fabrication of alloptical controlled photonic integrated circuits. As the first potential application of the dye functionalized sol-gel material, an alloptical variable attenuator was designed and demonstrated. The optical variable attenuation is achieved in Mach-Zehnder interferometric configuration through all-optical modulation of sol-gel waveguide phase shifters. A 2 x 2 optical switch based on multimode interference (MMI) waveguide structure is proposed in the dissertation. The schematic configuration of the optical switch consists of a cascade of two identical MMIs with two all-optical controlled phase shifters realized by using the photochromic sol-gel material. The cross or bar switch state of the optical switch is determined by the phase difference between the two sol-gel waveguide phase shifters. An all-optical tunable filter is designed and its feasibility demonstrated by using the sol-gel photochromic material. Except for the phase change demonstrated on sol-gel waveguide phase shifters, dynamic gratings were observed on sol-gel film when exposed to two interference beams. This reveals the possibility of realizing Bragg grating-based tunable filters. The schematic configuration of proposed tunable filters consists of a single straight waveguide embedded with a sol-gel waveguide. The wavelength tuning of the tunable filters is accomplished by varying the grating period.

Porous single-phase NiTi processed under Ca reducing vapor for use as a bone graft substitute.

PubMed

Bertheville, Bernard

2006-03-01

Porous nickel-titanium alloys (NiTi, nitinol) have recently attracted attention in clinical surgery because they are a very interesting alternative to the more brittle and less machinable conventional porous Ca-based ceramics. The main remaining limitations come from the chemical homogeneity of the as-processed porous nickel-titanium alloys, which always contain undesired secondary Ti- and Ni-rich phases. These are known to weaken the NiTi products, to favor their cavitation corrosion and to decrease their biocompatibility. Elemental nickel must also be avoided because it could give rise to several adverse tissue reactions. Therefore, the synthesis of porous single-phase NiTi alloys by using a basic single-step sintering procedure is an important step towards the processing of safe implant materials. The sintering process used in this work is based on a vapor phase calciothermic reduction operating during the NiTi compound formation. The as-processed porous nickel-titanium microstructure is single-phase and shows a uniformly open pore distribution with porosity of about 53% and pore diameters in the range 20-100 microm. Furthermore, due to the process, fine CaO layers grow on the NiTi outer and inner surfaces, acting as possible promoting agents for the ingrowth of bone cells at the implantation site.

Monoolein Lipid Phases as Incorporation and Enrichment Materials for Membrane Protein Crystallization

PubMed Central

Wallace, Ellen; Dranow, David; Laible, Philip D.; Christensen, Jeff; Nollert, Peter

2011-01-01

The crystallization of membrane proteins in amphiphile-rich materials such as lipidic cubic phases is an established methodology in many structural biology laboratories. The standard procedure employed with this methodology requires the generation of a highly viscous lipidic material by mixing lipid, for instance monoolein, with a solution of the detergent solubilized membrane protein. This preparation is often carried out with specialized mixing tools that allow handling of the highly viscous materials while minimizing dead volume to save precious membrane protein sample. The processes that occur during the initial mixing of the lipid with the membrane protein are not well understood. Here we show that the formation of the lipidic phases and the incorporation of the membrane protein into such materials can be separated experimentally. Specifically, we have investigated the effect of different initial monoolein-based lipid phase states on the crystallization behavior of the colored photosynthetic reaction center from Rhodobacter sphaeroides. We find that the detergent solubilized photosynthetic reaction center spontaneously inserts into and concentrates in the lipid matrix without any mixing, and that the initial lipid material phase state is irrelevant for productive crystallization. A substantial in-situ enrichment of the membrane protein to concentration levels that are otherwise unobtainable occurs in a thin layer on the surface of the lipidic material. These results have important practical applications and hence we suggest a simplified protocol for membrane protein crystallization within amphiphile rich materials, eliminating any specialized mixing tools to prepare crystallization experiments within lipidic cubic phases. Furthermore, by virtue of sampling a membrane protein concentration gradient within a single crystallization experiment, this crystallization technique is more robust and increases the efficiency of identifying productive crystallization parameters. Finally, we provide a model that explains the incorporation of the membrane protein from solution into the lipid phase via a portal lamellar phase. PMID:21909395

Influence of microstructure on superconductivity in KxFe2−ySe2 and evidence for a new parent phase K2Fe7Se8

PubMed Central

Ding, Xiaxin; Fang, Delong; Wang, Zhenyu; Yang, Huan; Liu, Jianzhong; Deng, Qiang; Ma, Guobin; Meng, Chong; Hu, Yuhui; Wen, Hai-Hu

2013-01-01

The search for new superconducting materials has been spurred on by the discovery of iron-based superconductors whose structure and composition is qualitatively different from the cuprates. The study of one such material, KxFe2−ySe2 with a critical temperature of 32 K, is made more difficult by the fact that it separates into two phases—a dominant antiferromagnetic insulating phase K2Fe4Se5, and a minority superconducting phase whose precise structure is as yet unclear. Here we perform electrical and magnetization measurements, scanning electron microscopy and microanalysis, X-ray diffraction and scanning tunnelling microscopy on KxFe2−ySe2 crystals prepared under different quenching processes to better understand the relationship between its microstructure and its superconducting phase. We identify a three-dimensional network of superconducting filaments within this material and present evidence to suggest that the superconducting phase consists of a single Fe vacancy for every eight Fe-sites arranged in a √8 x √10 parallelogram structure. PMID:23695691

Optimization of the crystal growth of the superconductor CaKFe 4 As 4 from solution in the FeAs - CaFe 2 As 2 - KFe 2 As 2 system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meier, W. R.; Kong, T.; Bud'ko, S. L.

Measurements of the anisotropic properties of single crystals play a crucial role in probing the physics of new materials. Determining a growth protocol that yields suitable high-quality single crystals can be particularly challenging for multicomponent compounds. Here we present a case study of how we refined a procedure to grow single crystals of CaKFe 4As 4 from a high temperature, quaternary liquid solution rich in iron and arsenic (“FeAs self-flux”). Temperature dependent resistance and magnetization measurements are emphasized, in addition to the x-ray diffraction, to detect intergrown CaKFe 4As 4, CaFe 2As 2, and KFe 2As 2 within what appearmore » to be single crystals. Guided by the rules of phase equilibria and these data, we adjusted growth parameters to suppress formation of the impurity phases. The resulting optimized procedure yielded phase-pure single crystals of CaKFe 4As 4. In conclusion, this optimization process offers insight into the growth of quaternary compounds and a glimpse of the four-component phase diagram in the pseudoternary FeAs–CaFe 2As 2–KFe 2As 2 system.« less

Optimization of the crystal growth of the superconductor CaKFe 4 As 4 from solution in the FeAs - CaFe 2 As 2 - KFe 2 As 2 system

DOE PAGES

Meier, W. R.; Kong, T.; Bud'ko, S. L.; ...

2017-06-19

Measurements of the anisotropic properties of single crystals play a crucial role in probing the physics of new materials. Determining a growth protocol that yields suitable high-quality single crystals can be particularly challenging for multicomponent compounds. Here we present a case study of how we refined a procedure to grow single crystals of CaKFe 4As 4 from a high temperature, quaternary liquid solution rich in iron and arsenic (“FeAs self-flux”). Temperature dependent resistance and magnetization measurements are emphasized, in addition to the x-ray diffraction, to detect intergrown CaKFe 4As 4, CaFe 2As 2, and KFe 2As 2 within what appearmore » to be single crystals. Guided by the rules of phase equilibria and these data, we adjusted growth parameters to suppress formation of the impurity phases. The resulting optimized procedure yielded phase-pure single crystals of CaKFe 4As 4. In conclusion, this optimization process offers insight into the growth of quaternary compounds and a glimpse of the four-component phase diagram in the pseudoternary FeAs–CaFe 2As 2–KFe 2As 2 system.« less

Metallic VS2 Monolayer Polytypes as Potential Sodium-Ion Battery Anode via ab Initio Random Structure Searching.

PubMed

Putungan, Darwin Barayang; Lin, Shi-Hsin; Kuo, Jer-Lai

2016-07-27

We systematically investigated the potential of single-layer VS2 polytypes as Na-battery anode materials via density functional theory calculations. We found that sodiation tends to inhibit the 1H-to-1T structural phase transition, in contrast to lithiation-induced transition on monolayer MoS2. Thus, VS2 can have better structural stability in the cycles of charging and discharging. Diffussion of Na atom was found to be very fast on both polytypes, with very small diffusion barriers of 0.085 eV (1H) and 0.088 eV (1T). Ab initio random structure searching was performed in order to explore stable configurations of Na on VS2. Our search found that both the V top and the hexagonal center sites are preferred adsorption sites for Na, with the 1H phase showing a relatively stronger binding. Notably, our random structures search revealed that Na clusters can form as a stacked second layer at full Na concentration, which is not reported in earlier works wherein uniform, single-layer Na adsorption phases were assumed. With reasonably high specific energy capacity (232.91 and 116.45 mAh/g for 1H and 1T phases, respectively) and open-circuit voltage (1.30 and 1.42 V for 1H and 1T phases, respectively), VS2 is a promising alternative material for Na-ion battery anodes with great structural sturdiness. Finally, we have shown the capability of the ab initio random structure searching in the assessment of potential materials for energy storage applications.

Computer simulation of solder joint failure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burchett, S.N.; Frear, D.R.; Rashid, M.M.

The thermomechanical fatigue failure of solder joints is increasingly becoming an important reliability issue for electronic packages. The purpose of this Laboratory Directed Research and Development (LDRD) project was to develop computational tools for simulating the behavior of solder joints under strain and temperature cycling, taking into account the microstructural heterogeneities that exist in as-solidified near eutectic Sn-Pb joints, as well as subsequent microstructural evolution. The authors present two computational constitutive models, a two-phase model and a single-phase model, that were developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions. Unique metallurgical tests provide themore » fundamental input for the constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations with this model agree qualitatively with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. The single-phase model was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. Special thermomechanical fatigue tests were developed to give fundamental materials input to the models, and an in situ SEM thermomechanical fatigue test system was developed to characterize microstructural evolution and the mechanical behavior of solder joints during the test. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests. The simulation results from the two-phase model showed good fit to the experimental test results.« less

A self-resetting spiking phase-change neuron

NASA Astrophysics Data System (ADS)

Cobley, R. A.; Hayat, H.; Wright, C. D.

2018-05-01

Neuromorphic, or brain-inspired, computing applications of phase-change devices have to date concentrated primarily on the implementation of phase-change synapses. However, the so-called accumulation mode of operation inherent in phase-change materials and devices can also be used to mimic the integrative properties of a biological neuron. Here we demonstrate, using physical modelling of nanoscale devices and SPICE modelling of associated circuits, that a single phase-change memory cell integrated into a comparator type circuit can deliver a basic hardware mimic of an integrate-and-fire spiking neuron with self-resetting capabilities. Such phase-change neurons, in combination with phase-change synapses, can potentially open a new route for the realisation of all-phase-change neuromorphic computing.

A self-resetting spiking phase-change neuron.

PubMed

Cobley, R A; Hayat, H; Wright, C D

2018-05-11

Neuromorphic, or brain-inspired, computing applications of phase-change devices have to date concentrated primarily on the implementation of phase-change synapses. However, the so-called accumulation mode of operation inherent in phase-change materials and devices can also be used to mimic the integrative properties of a biological neuron. Here we demonstrate, using physical modelling of nanoscale devices and SPICE modelling of associated circuits, that a single phase-change memory cell integrated into a comparator type circuit can deliver a basic hardware mimic of an integrate-and-fire spiking neuron with self-resetting capabilities. Such phase-change neurons, in combination with phase-change synapses, can potentially open a new route for the realisation of all-phase-change neuromorphic computing.

Concurrent topological design of composite structures and materials containing multiple phases of distinct Poisson's ratios

NASA Astrophysics Data System (ADS)

Long, Kai; Yuan, Philip F.; Xu, Shanqing; Xie, Yi Min

2018-04-01

Most studies on composites assume that the constituent phases have different values of stiffness. Little attention has been paid to the effect of constituent phases having distinct Poisson's ratios. This research focuses on a concurrent optimization method for simultaneously designing composite structures and materials with distinct Poisson's ratios. The proposed method aims to minimize the mean compliance of the macrostructure with a given mass of base materials. In contrast to the traditional interpolation of the stiffness matrix through numerical results, an interpolation scheme of the Young's modulus and Poisson's ratio using different parameters is adopted. The numerical results demonstrate that the Poisson effect plays a key role in reducing the mean compliance of the final design. An important contribution of the present study is that the proposed concurrent optimization method can automatically distribute base materials with distinct Poisson's ratios between the macrostructural and microstructural levels under a single constraint of the total mass.

Offner stretcher aberrations revisited to compensate material dispersion

NASA Astrophysics Data System (ADS)

Vyhlídka, Štěpán; Kramer, Daniel; Meadows, Alexander; Rus, Bedřich

2018-05-01

We present simple analytical formulae for the calculation of the spectral phase and residual angular dispersion of an ultrashort pulse propagating through the Offner stretcher. Based on these formulae, we show that the radii of curvature of both convex and concave mirrors in the Offner triplet can be adapted to tune the fourth order dispersion term of the spectral phase of the pulse. As an example, a single-grating Offner stretcher design suitable for the suppression of material dispersion in the Ti:Sa PALS laser system is proposed. The results obtained by numerical raytracing well match those calculated from the analytical formulae.

[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.

PubMed

Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D; Cheetham, Anthony K

2017-11-29

A family of five hybrid ABX 3 perovskites has been synthesized using hypophosphite (H 2 POO) - as the X-site ion. These compounds adopt the general formula [Am]Mn(H 2 POO) 3 , where Am = guanidinium (GUA), formamidinium (FA), imidazolium, triazolium, and dabconium. We explore the diverse structural and phase transition behavior of these materials through single-crystal diffraction measurements and demonstrate contrasting magnetism in two of the phases, Am = GUA and FA, that arises from structural distortions. The results show that hypophosphite perovskites offer a promising platform for generating new functional materials.

MgF2 monolayer as an anti-reflecting material

NASA Astrophysics Data System (ADS)

Mahida, H. R.; Singh, Deobrat; Sonvane, Yogesh; Gupta, Sanjeev K.; Thakor, P. B.

2017-02-01

The single-layer atomic sheet of magnesium fluoride (MgF2) having 1H and 1T phase structure (hexagonal and tetragonal phase) has been calculated by density functional theory (DFT). Further, we have investigated the structural, electronic and optical properties such as frequency dependent dielectric function, absorption spectra, energy loss spectra, reflectivity, refractive index and optical conductivity of monolayer MgF2 for the direction of parallel and perpendicular electric field polarizations. Our results suggest that monolayer MgF2 provides promising applications in anti-reflection coatings, high-reflective systems and in opto-electronic materials.

Epitaxial stabilization and phase instability of VO 2 polymorphs

DOE PAGES

Lee, Shinbuhm; Ivanov, Ilia N.; Keum, Jong K.; ...

2016-01-20

The VO 2 polymorphs, i.e., VO 2(A), VO 2(B), VO 2(M1) and VO 2(R), have a wide spectrum of functionalities useful for many potential applications in information and energy technologies. However, synthesis of phase pure materials, especially in thin film forms, has been a challenging task due to the fact that the VO 2 polymorphs are closely related to each other in a thermodynamic framework. Here, we report epitaxial stabilization of the VO 2 polymorphs to synthesize high quality single crystalline thin films and study the phase stability of these metastable materials. We selectively deposit all the phases on variousmore » perovskite substrates with different crystallographic orientations. By investigating the phase instability, phonon modes and transport behaviours, not only do we find distinctively contrasting physical properties of the VO 2 polymorphs, but that the polymorphs can be on the verge of phase transitions when heated as low as ~400 °C. In conclusion, our successful epitaxy of both VO 2(A) and VO 2(B) phases, which are rarely studied due to the lack of phase pure materials, will open the door to the fundamental studies of VO 2 polymorphs for potential applications in advanced electronic and energy devices.« less

Shock and Microstructural Characterization of the α-ω Phase Transition in Titanium Crystals

NASA Astrophysics Data System (ADS)

Morrow, Benjamin M.; Rigg, Paulo A.; Jones, David R.; Addessio, Francis L.; Trujillo, Carl P.; Saavedra, Ramon A.; Martinez, Daniel T.; Cerreta, Ellen K.

2017-12-01

A multicrystal comprised of a small number of large crystals of high-purity titanium and a [0001] oriented high-purity single crystal titanium sample were shock loaded using gas gun plate impact experiments. Tests were performed at stresses above the α {-}ω phase transition stress (for high-purity polycrystalline specimens) to observe the behavior of oriented crystals under similar conditions. Post-mortem characterization of the shocked microstructure was conducted on the single crystal sample to measure textures, and quantify phases and twinning. The apparent activation of plastic and transformation mechanisms was dependent upon crystal orientation. Specifically, the [0001] crystal showed a higher Hugoniot elastic limit than the [10\\bar{1}0] or [3\\bar{1}\\bar{4}4] orientations. The slope of velocity as a function of time was lower in the [0001] orientation than the other orientations during plastic deformation, indicating sluggish transformation kinetics for the α to ω phase transition for the [0001] oriented crystal. Microtexture measurements of a recovered [0001] oriented single crystal revealed the presence of retained ω phase after unloading, with orientations of the constituent phase fractions indicative of the forward α → ω transition, rather than the reverse ω → α transition, suggesting that the material never achieved a state of 100% ω phase.

Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys

NASA Astrophysics Data System (ADS)

Lu, Chenyang; Niu, Liangliang; Chen, Nanjun; Jin, Ke; Yang, Taini; Xiu, Pengyuan; Zhang, Yanwen; Gao, Fei; Bei, Hongbin; Shi, Shi; He, Mo-Rigen; Robertson, Ian M.; Weber, William J.; Wang, Lumin

2016-12-01

A grand challenge in material science is to understand the correlation between intrinsic properties and defect dynamics. Radiation tolerant materials are in great demand for safe operation and advancement of nuclear and aerospace systems. Unlike traditional approaches that rely on microstructural and nanoscale features to mitigate radiation damage, this study demonstrates enhancement of radiation tolerance with the suppression of void formation by two orders magnitude at elevated temperatures in equiatomic single-phase concentrated solid solution alloys, and more importantly, reveals its controlling mechanism through a detailed analysis of the depth distribution of defect clusters and an atomistic computer simulation. The enhanced swelling resistance is attributed to the tailored interstitial defect cluster motion in the alloys from a long-range one-dimensional mode to a short-range three-dimensional mode, which leads to enhanced point defect recombination. The results suggest design criteria for next generation radiation tolerant structural alloys.

Metal-silica sol-gel materials

NASA Technical Reports Server (NTRS)

Stiegman, Albert E. (Inventor)

2002-01-01

The present invention relates to a single phase metal-silica sol-gel glass formed by the co-condensation of a transition metal with silicon atoms where the metal atoms are uniformly distributed within the sol-gel glass as individual metal centers. Any transition metal may be used in the sol-gel glasses. The present invention also relates to sensor materials where the sensor material is formed using the single phase metal-silica sol-gel glasses. The sensor materials may be in the form of a thin film or may be attached to an optical fiber. The present invention also relates to a method of sensing chemicals using the chemical sensors by monitoring the chromatic change of the metal-silica sol-gel glass when the chemical binds to the sensor. The present invention also relates to oxidation catalysts where a metal-silica sol-gel glass catalyzes the reaction. The present invention also relates to a method of performing oxidation reactions using the metal-silica sol-gel glasses. The present invention also relates to organopolymer metal-silica sol-gel composites where the pores of the metal-silica sol-gel glasses are filled with an organic polymer polymerized by the sol-gel glass.

Growth, optical, thermal, mechanical and dielectric studies of sodium succinate hexahydrate (β phase) single crystal: A promising third order NLO material

NASA Astrophysics Data System (ADS)

Mageshwari, P. S. Latha; Priya, R.; Krishnan, S.; Joseph, V.; Das, S. Jerome

2016-11-01

A third order nonlinear optical (NLO)single crystals of sodium succinate hexahydrate (SSH) (β phase) has been grown by a slow evaporation growth technique using aqueous solution at ambient temperature. The lattice parameters and morphology of SSH were determined by single crystal X-ray diffraction analysis. SSH crystallizes in centrosymmetric monoclinic system with space group P 21 / c and the crystalline purity was analyzed by powder X-ray diffraction analysis. The UV-vis-NIR spectrum reveals that the crystal is transparent in the entire visible region. The recorded FT-IR spectrum verified the presence of various functional groups in the material. NMR analysis of the grown crystal confirms the structural elucidation and detects the major and minor functional groups present in the title compound. ICP-OES analysis proved the presence of sodium in SSH. TG-DTA/DSCanalysis was used to investigate the thermal stability of the material. The dielectric permittivity and dielectric loss of SSH were carried out as a function of frequency for different temperatures and the results were discussed. The mechanical stability was evaluated from Vicker's microhardness test. The third order nonlinear optical properties of SSH has been investigated employing Z-scan technique with He-Ne laser operating at 632.8 nm wavelength.

Effect of the microstructure on the thermoelectric properties of polycrystalline lanthanum chalcogenides

NASA Technical Reports Server (NTRS)

Lockwood, A.; Wood, C.; Vandersande, J.; Zoltan, A.; Parker, J.; Danielson, L.; Alexander, M.; Whittenberger, D.

1987-01-01

Small amounts of second phase materials can have important effects on the thermoelectric properties of polycrystalline gamma-La(3-x)X4 (X-S, Te; X in the range of 0 to 1/3). Microscopic examination by SEM of hot pressed La(3-x)Te4 samples has revealed from 1-5 vol. pct of La2O2Te, an amount which is not detected by X-ray powder diffraction measurements. This amount of La2O2Te resulting from oxygen contamination can reduce the concentration of electrons by as much as 10 to 75 percent below the electron concentration calculated for single phase La(3-x)Te4 in the composition range of greatest interest. Small amounts of second phase materials can also lower the lattice thermal conductivity by scattering low frequency phonons. These results indicate that microstructural effects should be considered when electrical and thermal properties of polycrystalline materials are analyzed.

Low-Cost Approaches to III–V Semiconductor Growth for Photovoltaic Applications

DOE PAGES

Greenaway, Ann L.; Boucher, Jason W.; Oener, Sebastian Z.; ...

2017-08-31

III–V semiconductors form the most efficient single- and multijunction photovoltaics. Metal–organic vapor-phase epitaxy, which uses toxic and pyrophoric gas-phase precursors, is the primary commercial growth method for these materials. In order for the use of highly efficient III–V-based devices to be expanded as the demand for renewable electricity grows, a lower-cost approach to the growth of these materials is needed. This Review focuses on three deposition techniques compatible with current device architectures: hydride vapor-phase epitaxy, close-spaced vapor transport, and thin-film vapor–liquid–solid growth. Here, we consider recent advances in each technique, including the available materials space, before providing an in-depth comparisonmore » of growth technology advantages and limitations and considering the impact of modifications to the method of production on the cost of the final photovoltaics.« less

A microstructurally based model of solder joints under conditions of thermomechanical fatigue

NASA Astrophysics Data System (ADS)

Frear, D. R.; Burchett, S. N.; Rashid, M. M.

The thermomechanical fatigue failure of solder joints is increasingly becoming an important reliability issue. We present two computational methodologies that have been developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions that are based on metallurgical tests as fundamental input for constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations from this model agree well with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. The single phase model is a computational technique that was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests and the results showed an adequate fit to experimental results. The single-phase model could be very useful for conditions where microstructural evolution is not a dominant factor in fatigue.

Selective laser sintering of single-phase powder Cr-V tool steel

NASA Astrophysics Data System (ADS)

Kovalev, A. I.; Mishina, V. P.; Wainstein, D. L.; Titov, V. I.; Moiseev, V. F.; Tolochko, N. K.

2002-10-01

Presented is positive experience from selective laser sintering (SLS) of cylindrical steel specimens (3.0% C, 3.0% Cr, 1.0% Si, 12.0% V, Fe balance) 30 mm long and 5 mm in diameter by rapid prototyping. It was demonstrated that monolithic steel material could be successfully fabricated by this technology. Differential thermal analysis (DTA), scanning electron microscopy (SEM), and x-ray diffractometry (XRD) were used to study the microstructure, phase, and chemical composition of the source material and obtained specimens. Low-melting cementite-based eutectic was found to provide the liquid phase sintering of powder tool steel. The porosity of the green sintered specimens did not exceed 5%. The mean hardness value of sintered specimens was 825 HV.

Seed crystals with improved properties for melt processing superconductors for practical applications

DOEpatents

Veal, Boyd W.; Paulikas, Arvydas; Balachandran, Uthamalingam; Zhong, Wei

1997-01-01

A method of fabricating bulk superconducting material including RBa.sub.2 Cu.sub.3 O.sub.7-.delta. comprising heating compressed powder oxides and/or carbonates of R and Ba and Cu present in mole ratios to form RBa.sub.2 Cu.sub.3 O.sub.7-.delta. in physical contact with an oxide single crystal seed to a temperature sufficient to form a liquid phase in the RBa.sub.2 Cu.sub.3 O.sub.7-.delta. while maintaining the single crystal seed solid to grow the superconducting material and thereafter cooling to provide a material including RBa.sub.2 Cu.sub.3 O.sub.7-.delta.. R is a rare earth or Y or La and the single crystal seed has a lattice mismatch with RBa.sub.2 Cu.sub.3 O.sub.7-.delta. of less than about 2% at the growth temperature. The starting material may be such that the final product contains a minor amount of R.sub.2 BaCuO.sub.5.

Second-harmonic generation in single crystals of 2-(N,N-dimethylamino)-5-nitroacetanilide (DAN) at 1.3 micron

NASA Astrophysics Data System (ADS)

Kolinsky, P. V.; Chad, R. J.; Jones, R. J.; Hall, S. R.; Norman, P. A.

1987-07-01

Measurements are reported on efficiency phase-matched second-harmonic generation in a single crystal of the organic material 2-(N,N-dimethylamino)-5-nitroacetanilide at the technologically important communications wavelength of 1.3 micron. Using 0.5 mJ pulses, a conversion efficiency of 18 percent has been achieved for a sample 2 mm thick.

Single-source-precursor synthesis of hafnium-containing ultrahigh-temperature ceramic nanocomposites (UHTC-NCs).

PubMed

Yuan, Jia; Hapis, Stefania; Breitzke, Hergen; Xu, Yeping; Fasel, Claudia; Kleebe, Hans-Joachim; Buntkowsky, Gerd; Riedel, Ralf; Ionescu, Emanuel

2014-10-06

Amorphous SiHfBCN ceramics were prepared from a commercial polysilazane (HTT 1800, AZ-EM), which was modified upon reactions with Hf(NEt2)4 and BH3·SMe2, and subsequently cross-linked and pyrolyzed. The prepared materials were investigated with respect to their chemical and phase composition, by means of spectroscopy techniques (Fourier transform infrared (FTIR), Raman, magic-angle spinning nuclear magnetic resonance (MAS NMR)), as well as X-ray diffraction (XRD) and transmission electron microscopy (TEM). Annealing experiments of the SiHfBCN samples in an inert gas atmosphere (Ar, N2) at temperatures in the range of 1300-1700 °C showed the conversion of the amorphous materials into nanostructured UHTC-NCs. Depending on the annealing atmosphere, HfC/HfB2/SiC (annealing in argon) and HfN/Si3N4/SiBCN (annealing in nitrogen) nanocomposites were obtained. The results emphasize that the conversion of the single-phase SiHfBCN into UHTC-NCs is thermodynamically controlled, thus allowing for a knowledge-based preparative path toward nanostructured ultrahigh-temperature stable materials with adjusted compositions.

A green synthesis of a layered titanate, potassium lithium titanate; lower temperature solid-state reaction and improved materials performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ogawa, Makoto, E-mail: waseda.ogawa@gmail.com; Department of Earth Sciences, Waseda University, 1-6-1 Nishiwaseda, Shinjuku-ku, Tokyo 169-8050; Morita, Masashi, E-mail: m-masashi@y.akane.waseda.jp

2013-10-15

A layered titanate, potassium lithium titanate, with the size range from 0.1 to 30 µm was prepared to show the effects of the particle size on the materials performance. The potassium lithium titanate was prepared by solid-state reaction as reported previously, where the reaction temperature was varied. The reported temperature for the titanate preparation was higher than 800 °C, though 600 °C is good enough to obtain single-phase potassium lithium titanate. The lower temperature synthesis is cost effective and the product exhibit better performance as photocatalysts due to surface reactivity. - Graphical abstract: Finite particle of a layered titanate, potassiummore » lithium titanate, was prepared by solid-state reaction at lower temperature to show modified materials performance. Display Omitted - Highlights: • Potassium lithium titanate was prepared by solid-state reaction. • Lower temperature reaction resulted in smaller sized particles of titanate. • 600 °C was good enough to obtain single phased potassium lithium titanate. • The product exhibited better performance as photocatalyst.« less

Material Selection for Microchannel Heatsink: Conjugate Heat Transfer Simulation

NASA Astrophysics Data System (ADS)

Uday Kumar, A.; Javed, Arshad; Dubey, Satish K.

2018-04-01

Heat dissipation during the operation of electronic devices causes rise in temperature, which demands an effective thermal management for their performance, life and reliability. Single phase liquid cooling in microchannels is an effective and proven technology for electronics cooling. However, due to the ongoing trends of miniaturization and developments in the microelectronics technology, the future needs of heat flux dissipation rate are expected to rise to 1 kW/cm2. Air cooled systems are unable to meet this demand. Hence, liquid cooled heatsinks are preferred. This paper presents conjugate heat transfer simulation of single phase flow in microchannels with application to electronic cooling. The numerical model is simulated for different materials: copper, aluminium and silicon as solid and water as liquid coolant. The performances of microchannel heatsink are analysed for mass flow rate range of 20-40 ml/min. The investigation has been carried out on same size of electronic chip and heat flux in order to have comparative study of different materials. This paper is divided into two sections: fabrication techniques and numerical simulation for different materials. In the first part, a brief discussion of fabrication techniques of microchannel heatsink have been presented. The second section presents conjugate heat transfer simulation and parametric investigation for different material microchannel heatsink. The presented study and findings are useful for selection of materials for microchannel heatsink.

Elastic excitations in BaTiO3 single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy

NASA Astrophysics Data System (ADS)

Salje, Ekhard K. H.; Carpenter, Michael A.; Nataf, Guillaume F.; Picht, Gunnar; Webber, Kyle; Weerasinghe, Jeevaka; Lisenkov, S.; Bellaiche, L.

2013-01-01

The dynamic properties of elastic domain walls in BaTiO3 were investigated using resonance ultrasonic spectroscopy (RUS). The sequence of phase transitions is characterized by minima in the temperature dependence of RUS resonance frequencies and changes in Q factors (resonance damping). Damping is related to the friction of mobile twin boundaries (90° ferroelectric walls) and distorted polar nanoregions (PNRs) in the cubic phase. Damping is largest in the tetragonal phase of ceramic materials but very low in single crystals. Damping is also small in the low-temperature phases of the ceramic sample and slightly increases with decreasing temperature in the single crystal. The phase angle between the real and imaginary part of the dynamic response function changes drastically in the cubic and tetragonal phases and remains constant in the orthorhombic phase. Other phases show a moderate dependence of the phase angle on temperature showing systematic changes of twin microstructures. Mobile twin boundaries (or sections of twin boundaries such as kinks inside twin walls) contribute strongly to the energy dissipation of the forced oscillation while the reduction in effective modulus due to relaxing twin domains is weak. Single crystals and ceramics show strong precursor softening in the cubic phase related to polar nanoregions (PNRs). The effective modulus decreases when the transition point of the cubic-tetragonal transformation is approached from above. The precursor softening follows temperature dependence very similar to recent results from Brillouin scattering. Between the Burns temperature (≈586 K) and Tc at 405 K, we found a good fit of the squared RUS frequency [˜Δ (C11-C12)] to a Vogel-Fulcher process with an activation energy of ˜0.2 eV. Finally, some first-principles-based effective Hamiltonian computations were carried out in BaTiO3 single domains to explain some of these observations in terms of the dynamics of the soft mode and central mode.

Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

DOE PAGES

Hong, Liang; Li, Linsen; Chen-Wiegart, Yuchen-Karen; ...

2017-10-30

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 andmore » 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.« less

Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Liang; Li, Linsen; Chen-Wiegart, Yuchen-Karen

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 andmore » 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.« less

Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Liang; Chen-Wiegart, Yu-Chen K.

2017-10-30

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 andmore » 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.« less

A New Class of Ternary Compound for Lithium-Ion Battery: from Composite to Solid Solution.

PubMed

Wang, Jiali; Wu, Hailong; Cui, Yanhua; Liu, Shengzhou; Tian, Xiaoqing; Cui, Yixiu; Liu, Xiaojiang; Yang, Yin

2018-02-14

Searching for high-performance cathode materials is a crucial task to develop advanced lithium-ion batteries (LIBs) with high-energy densities for electrical vehicles (EVs). As a promising lithium-rich material, Li 2 MnO 3 delivers high capacity over 200 mAh g -1 but suffers from poor structural stability and electronic conductivity. Replacing Mn 4+ ions by relatively larger Sn 4+ ions is regarded as a possible strategy to improve structural stability and thus cycling performance of Li 2 MnO 3 material. However, large difference in ionic radii of Mn 4+ and Sn 4+ ions leads to phase separation of Li 2 MnO 3 and Li 2 SnO 3 during high-temperature synthesis. To prepare solid-solution phase of Li 2 MnO 3 -Li 2 SnO 3 , a buffer agent of Ru 4+ , whose ionic radius is in between that of Mn 4+ and Sn 4+ ions, is introduced to assist the formation of a single solid-solution phase. The results show that the Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system evolves from mixed composite phases into a single solid-solution phase with increasing Ru content. Meanwhile, discharge capacity of this ternary system shows significantly increase at the transformation point which is ascribed to the improvement of Li + /e - transportation kinetics and anionic redox chemistry for solid-solution phase. The role of Mn/Sn molar ratio of Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system has also been studied. It is revealed that higher Sn content benefits cycling stability of the system because Sn 4+ ions with larger sizes could partially block the migration of Mn 4+ and Ru 4+ from transition metal layer to Li layer, thus suppressing structural transformation of the system from layered-to-spinel phase. These findings may enable a new route for exploring ternary or even quaternary lithium-rich cathode materials for LIBs.

Multi-susceptibile Single-Phased Ceramics with Both Considerable Magnetic and Dielectric Properties by Selectively Doping

PubMed Central

Liu, Chuyang; Zhang, Yujing; Jia, Jingguo; Sui, Qiang; Ma, Ning; Du, Piyi

2015-01-01

Multiferroic ceramics with extraordinary susceptibilities coexisting are vitally important for the multi-functionality and integration of electronic devices. However, multiferroic composites, as the most potential candidates, will introduce inevitable interface deficiencies and thus dielectric loss from dissimilar phases. In this study, single-phased ferrite ceramics with considerable magnetic and dielectric performances appearing simultaneously were fabricated by doping target ions in higher valence than that of Fe3+, such as Ti4+, Nb5+ and Zr4+, into BaFe12O19. In terms of charge balance, Fe3+/Fe2+ pair dipoles are produced through the substitution of Fe3+ by high-valenced ions. The electron hopping between Fe3+ and Fe2+ ions results in colossal permittivity. Whilst the single-phased ceramics doped by target ions exhibit low dielectric loss naturally due to the diminishment of interfacial polarization and still maintain typical magnetic properties. This study provides a convenient method to attain practicable materials with both outstanding magnetic and dielectric properties, which may be of interest to integration and multi-functionality of electronic devices. PMID:25835175

Multi-susceptibile single-phased ceramics with both considerable magnetic and dielectric properties by selectively doping.

PubMed

Liu, Chuyang; Zhang, Yujing; Jia, Jingguo; Sui, Qiang; Ma, Ning; Du, Piyi

2015-04-02

Multiferroic ceramics with extraordinary susceptibilities coexisting are vitally important for the multi-functionality and integration of electronic devices. However, multiferroic composites, as the most potential candidates, will introduce inevitable interface deficiencies and thus dielectric loss from dissimilar phases. In this study, single-phased ferrite ceramics with considerable magnetic and dielectric performances appearing simultaneously were fabricated by doping target ions in higher valence than that of Fe(3+), such as Ti(4+), Nb(5+) and Zr(4+), into BaFe12O19. In terms of charge balance, Fe(3+)/Fe(2+) pair dipoles are produced through the substitution of Fe(3+) by high-valenced ions. The electron hopping between Fe(3+) and Fe(2+) ions results in colossal permittivity. Whilst the single-phased ceramics doped by target ions exhibit low dielectric loss naturally due to the diminishment of interfacial polarization and still maintain typical magnetic properties. This study provides a convenient method to attain practicable materials with both outstanding magnetic and dielectric properties, which may be of interest to integration and multi-functionality of electronic devices.

Multi-susceptibile Single-Phased Ceramics with Both Considerable Magnetic and Dielectric Properties by Selectively Doping

NASA Astrophysics Data System (ADS)

Liu, Chuyang; Zhang, Yujing; Jia, Jingguo; Sui, Qiang; Ma, Ning; Du, Piyi

2015-04-01

Multiferroic ceramics with extraordinary susceptibilities coexisting are vitally important for the multi-functionality and integration of electronic devices. However, multiferroic composites, as the most potential candidates, will introduce inevitable interface deficiencies and thus dielectric loss from dissimilar phases. In this study, single-phased ferrite ceramics with considerable magnetic and dielectric performances appearing simultaneously were fabricated by doping target ions in higher valence than that of Fe3+, such as Ti4+, Nb5+ and Zr4+, into BaFe12O19. In terms of charge balance, Fe3+/Fe2+ pair dipoles are produced through the substitution of Fe3+ by high-valenced ions. The electron hopping between Fe3+ and Fe2+ ions results in colossal permittivity. Whilst the single-phased ceramics doped by target ions exhibit low dielectric loss naturally due to the diminishment of interfacial polarization and still maintain typical magnetic properties. This study provides a convenient method to attain practicable materials with both outstanding magnetic and dielectric properties, which may be of interest to integration and multi-functionality of electronic devices.

Design of new face-centered cubic high entropy alloys by thermodynamic calculation

NASA Astrophysics Data System (ADS)

Choi, Won-Mi; Jung, Seungmun; Jo, Yong Hee; Lee, Sunghak; Lee, Byeong-Joo

2017-09-01

A new face-centered cubic (fcc) high entropy alloy system with non-equiatomic compositions has been designed by utilizing a CALculation of PHAse Diagram (CALPHAD) - type thermodynamic calculation technique. The new alloy system is based on the representative fcc high entropy alloy, the Cantor alloy which is an equiatomic Co- Cr-Fe-Mn-Ni five-component alloy, but fully or partly replace the cobalt by vanadium and is of non-equiatomic compositions. Alloy compositions expected to have an fcc single-phase structure between 700 °C and melting temperatures are proposed. All the proposed alloys are experimentally confirmed to have the fcc single-phase during materials processes (> 800 °C), through an X-ray diffraction analysis. It is shown that there are more chances to find fcc single-phase high entropy alloys if paying attention to non-equiatomic composition regions and that the CALPHAD thermodynamic calculation can be an efficient tool for it. An alloy design technique based on thermodynamic calculation is demonstrated and the applicability and limitation of the approach as a design tool for high entropy alloys is discussed.

Phase Equilibria and Crystallography of Ceramic Oxides

PubMed Central

Wong-Ng, W.; Roth, R. S.; Vanderah, T. A.; McMurdie, H. F.

2001-01-01

Research in phase equilibria and crystallography has been a tradition in the Ceramics Division at National Bureau of Standards/National Institute of Standatrds and Technology (NBS/NIST) since the early thirties. In the early years, effort was concentrated in areas of Portland cement, ceramic glazes and glasses, instrument bearings, and battery materials. In the past 40 years, a large portion of the work was related to electronic materials, including ferroelectrics, piezoelectrics, ionic conductors, dielectrics, microwave dielectrics, and high-temperature superconductors. As a result of the phase equilibria studies, many new compounds have been discovered. Some of these discoveries have had a significant impact on US industry. Structure determinations of these new phases have often been carried out as a joint effort among NBS/NIST colleagues and also with outside collaborators using both single crystal and neutron and x-ray powder diffraction techniques. All phase equilibria diagrams were included in Phase Diagrams for Ceramists, which are collaborative publications between The American Ceramic Society (ACerS) and NBS/NIST. All x-ray powder diffraction patterns have been included in the Powder Diffraction File (PDF). This article gives a brief account of the history of the development of the phase equilibria and crystallographic research on ceramic oxides in the Ceramics Division. Represented systems, particularly electronic materials, are highlighted. PMID:27500068

Method for producing microcomposite powders using a soap solution

DOEpatents

Maginnis, Michael A.; Robinson, David A.

1996-01-01

A method for producing microcomposite powders for use in superconducting and non-superconducting applications. A particular method to produce microcomposite powders for use in superconducting applications includes the steps of: (a) preparing a solution including ammonium soap; (b) dissolving a preselected amount of a soluble metallic such as silver nitrate in the solution including ammonium soap to form a first solution; (c) adding a primary phase material such as a single phase YBC superconducting material in particle form to the first solution; (d) preparing a second solution formed from a mixture of a weak acid and an alkyl-mono-ether; (e) adding the second solution to the first solution to form a resultant mixture; (f) allowing the resultant mixture to set until the resultant mixture begins to cloud and thicken into a gel precipitating around individual particles of the primary phase material; (g) thereafter drying the resultant mixture to form a YBC superconducting material/silver nitrate precursor powder; and (h) calcining the YBC superconducting material/silver nitrate precursor powder to convert the silver nitrate to silver and thereby form a YBC/silver microcomposite powder wherein the silver is substantially uniformly dispersed in the matrix of the YBC material.

Antiferroelectric Materials, Applications and Recent Progress on Multiferroic Heterostructures

NASA Astrophysics Data System (ADS)

Zhou, Ziyao; Yang, Qu; Liu, Ming; Zhang, Zhiguo; Zhang, Xinyang; Sun, Dazhi; Nan, Tianxiang; Sun, Nianxiang; Chen, Xing

2015-04-01

Antiferroelectric (AFE) materials with adjacent dipoles oriented in antiparallel directions have a double polarization hysteresis loops. An electric field (E-field)-induced AFE-ferroelectric (FE) phase transition takes place in such materials, leading to a large lattice strain and energy change. The high dielectric constant and the distinct phase transition in AFE materials provide great opportunities for the realization of energy storage devices like super-capacitors and energy conversion devices such as AFE MEMS applications. Lots of work has been done in this field since 60-70 s. Recently, the strain tuning of the spin, charge and orbital orderings and their interactions in complex oxides and multiferroic heterostructures have received great attention. In these systems, a single control parameter of lattice strain is used to control lattice-spin, lattice-phonon, and lattice-charge interactions and tailor properties or create a transition between distinct magnetic/electronic phases. Due to the large strain/stress arising from the phase transition, AFE materials are great candidates for integrating with ferromagnetic (FM) materials to realize in situ manipulation of magnetism and lattice-ordered parameters by voltage. In this paper, we introduce the AFE material and it's applications shortly and then review the recent progress in AFEs based on multiferroic heterostructures. These new multiferroic materials could pave a new way towards next generation light, compact, fast and energy efficient voltage tunable RF/microwave, spintronic and memory devices promising approaches to in situ manipulation of lattice-coupled order parameters is to grow epitaxial oxide films on FE/ferroelastic substrates.

High-quality EuO thin films the easy way via topotactic transformation

DOE PAGES

Mairoser, Thomas; Mundy, Julia A.; Melville, Alexander; ...

2015-07-16

Epitaxy is widely employed to create highly oriented crystalline films. A less appreciated, but nonetheless powerful means of creating such films is via topotactic transformation, in which a chemical reaction transforms a single crystal of one phase into a single crystal of a different phase, which inherits its orientation from the original crystal. Topotactic reactions may be applied to epitactic films to substitute, add or remove ions to yield epitactic films of different phases. Here we exploit a topotactic reduction reaction to provide a non-ultra-high vacuum (UHV) means of growing highly oriented single crystalline thin films of the easily over-oxidizedmore » half-metallic semiconductor europium monoxide (EuO) with a perfection rivalling that of the best films of the same material grown by molecular-beam epitaxy or UHV pulsed-laser deposition. Lastly, as the technique only requires high-vacuum deposition equipment, it has the potential to drastically improve the accessibility of high-quality single crystalline films of EuO as well as other difficult-to-synthesize compounds.« less

Superconducting compounds and alloys research

NASA Technical Reports Server (NTRS)

Otto, G.

1975-01-01

Resistivity measurements as a function of temperature were performed on alloys of the binary material system In sub(1-x) Bi sub x for x varying between 0 and 1. It was found that for all single-phase alloys (the pure elements, alpha-In, and the three intermetallic compounds) at temperatures sufficiently above the Debye-temperature, the resistivity p can be expressed as p = a sub o T(n), where a sub o and n are composition-dependent constants. The same exponential relationship can also be applied for the sub-system In-In2Bi, when the two phases are in compositional equilibrium. Superconductivity measurements on single and two-phase alloys can be explained with respect to the phase diagram. There occur three superconducting phases (alpha-In, In2Bi, and In5Bi3) with different transition temperatures in the alloying system. The magnitude of the transition temperatures for the various intermetallic phases of In-Bi is such that the disappearance or occurrence of a phase in two component alloys can be demonstrated easily by means of superconductivity measurements.

Atomically thin two-dimensional organic-inorganic hybrid perovskites

NASA Astrophysics Data System (ADS)

Dou, Letian; Wong, Andrew B.; Yu, Yi; Lai, Minliang; Kornienko, Nikolay; Eaton, Samuel W.; Fu, Anthony; Bischak, Connor G.; Ma, Jie; Ding, Tina; Ginsberg, Naomi S.; Wang, Lin-Wang; Alivisatos, A. Paul; Yang, Peidong

2015-09-01

Organic-inorganic hybrid perovskites, which have proved to be promising semiconductor materials for photovoltaic applications, have been made into atomically thin two-dimensional (2D) sheets. We report the solution-phase growth of single- and few-unit-cell-thick single-crystalline 2D hybrid perovskites of (C4H9NH3)2PbBr4 with well-defined square shape and large size. In contrast to other 2D materials, the hybrid perovskite sheets exhibit an unusual structural relaxation, and this structural change leads to a band gap shift as compared to the bulk crystal. The high-quality 2D crystals exhibit efficient photoluminescence, and color tuning could be achieved by changing sheet thickness as well as composition via the synthesis of related materials.

Self-assembled phase-change nanowire for nonvolatile electronic memory

NASA Astrophysics Data System (ADS)

Jung, Yeonwoong

One of the most important subjects in nanosciences is to identify and exploit the relationship between size and structural/physical properties of materials and to explore novel material properties at a small-length scale. Scale-down of materials is not only advantageous in realizing miniaturized devices but nanometer-sized materials often exhibit intriguing physical/chemical properties that greatly differ from their bulk counterparts. This dissertation studies self-assembled phase-change nanowires for future nonvolatile electronic memories, mainly focusing on their size-dependent memory switching properties. Owing to the one-dimensional, unique geometry coupled with the small and tunable sizes, bottom-designed nanowires offer great opportunities in terms for both fundamental science and practical engineering perspectives, which would be difficult to realize in conventional top-down based approaches. We synthesized chalcogenide phase-change nanowires of different compositions and sizes, and studied their electronic memory switching owing to the structural change between crystalline and amorphous phases. In particular, we investigated nanowire size-dependent memory switching parameters, including writing current, power consumption, and data retention times, as well as studying composition-dependent electronic properties. The observed size and composition-dependent switching and recrystallization kinetics are explained based on the heat transport model and heterogeneous nucleation theories, which help to design phase-change materials with better properties. Moreover, we configured unconventional heterostructured phase-change nanowire memories and studied their multiple memory states in single nanowire devices. Finally, by combining in-situ/ex-situ electron microscopy techniques and electrical measurements, we characterized the structural states involved in electrically-driven phase-change in order to understand the atomistic mechanism that governs the electronic memory switching through phase-change.

Acoustic Nondestructive Evaluation of Aircraft Paneling Using Piezoelectric Sensors

DTIC Science & Technology

2012-12-01

Electromagnetic Materials Team of the U.S. Army Research Laboratory, Weapons and Materials Research Directorate, Clinical Trials Monitoring Branch, for...connected to this clip. This electrical connection ensures single-point grounding, which has been implemented to avoid electromagnetic interference...waveform of each sensor features an electromagnetic pick-up signature that is aligned with the transduced signal but phase shifted by 180. We know to

Preparation of nanostructured materials having improved ductility

DOEpatents

Zhao, Yonghao; Zhu, Yuntian T.

2010-04-20

A method for preparing a nanostructured aluminum alloy involves heating an aluminum alloy workpiece at temperature sufficient to produce a single phase coarse grained aluminum alloy, then refining the grain size of the workpiece at a temperature at or below room temperature, and then aging the workpiece to precipitate second phase particles in the nanosized grains of the workpiece that increase the ductility without decreasing the strength of the workpiece.

Panoscopic approach for high-performance Te-doped skutterudite

DOE PAGES

Liang, Tao; Su, Xianli; Yan, Yonggao; ...

2017-02-24

One-step plasma-activated sintering (OS-PAS) fabrication of single-phase high-performance CoSb 3-based skutterudite thermoelectric material with a hierarchical structure on a time scale of a few minutes is first reported here. The formation mechanism of the CoSb 3 phase and the effects of the current and pressure fields on the phase transformation and microstructure evolution are studied in the one-step PAS process. The application of the panoscopic approach to this system and its effect on the transport properties are investigated. The results show that the hierarchical structure forms during the formation of the skutterudite phase under the effects of both current andmore » sintering pressure. The samples fabricated by the OS-PAS technique have defined hierarchical structures, which scatter phonons more intensely over a broader range of frequencies and significantly reduce the lattice thermal conductivity. High-performance bulk Te-doped skutterudite with the maximum ZT of 1.1 at 820 K for the composition CoSb 2.875Te 0.125 was obtained. Such high ZT values rival those obtained from single filled skutterudites. As a result, this newly developed OS-PAS technique enhances the thermoelectric performance, dramatically shortens the synthesis period and provides a facile method for obtaining hierarchical thermoelectric materials on a large scale.« less

Evolution from successive phase transitions to "morphotropic phase boundary" in BaTiO3-based ferroelectrics

NASA Astrophysics Data System (ADS)

Zhou, Chao; Ke, Xiaoqin; Yao, Yonggang; Yang, Sen; Ji, Yuanchao; Liu, Wenfeng; Yang, Yaodong; Zhang, Lixue; Hao, Yanshuang; Ren, Shuai; Zhang, Le; Ren, Xiaobing

2018-04-01

Obtaining superior physical properties for ferroic materials by manipulating the phase transitions is a key concern in solid state physics. Here, we investigated the dielectric permittivity, piezoelectric coefficient d33, storage modulus, and crystal symmetry of (1-x)Ba(Ti0.8Zr0.2)O3-x(Ba1-yCay)TiO3 (BZT-xBCyT) systems to demonstrate the gradual evolution process from successive phase transitions in BaTiO3 to the morphotropic phase boundary (MPB) regime in BZT-xBC0.3T. Furthermore, we analysed with a Landau-type theoretical model to show that the high field-sensitive response (dielectric permittivity) originates from a small polarization anisotropy and low energy barrier at the quadruple point. Together, the intermediate orthorhombic phase regime and the tetragonal-orthorhombic and orthorhombic-rhombohedral phase boundaries constitute the MPB. Our work not only reconciles the arguments regarding whether the structural state around the MPB corresponds to a single-phase regime or a multiple-phase-coexistence regime but also suggests an effective method to design high-performance functional ferroic materials by tailoring the successive phase transitions.

Confinement-induced liquid crystalline transitions in amyloid fibril cholesteric tactoids

NASA Astrophysics Data System (ADS)

Nyström, Gustav; Arcari, Mario; Mezzenga, Raffaele

2018-04-01

Chirality is ubiquitous in nature and plays crucial roles in biology, medicine, physics and materials science. Understanding and controlling chirality is therefore an important research challenge with broad implications. Unlike other chiral colloids, such as nanocellulose or filamentous viruses, amyloid fibrils form nematic phases but appear to miss their twisted form, the cholesteric or chiral nematic phases, despite a well-defined chirality at the single fibril level. Here we report the discovery of cholesteric phases in amyloids, using β-lactoglobulin fibrils shortened by shear stresses. The physical behaviour of these new cholesteric materials exhibits unprecedented structural complexity, with confinement-driven ordering transitions between at least three types of nematic and cholesteric tactoids. We use energy functional theory to rationalize these results and observe a chirality inversion from the left-handed amyloids to right-handed cholesteric droplets. These findings deepen our understanding of cholesteric phases, advancing their use in soft nanotechnology, nanomaterial templating and self-assembly.

A 63 K phase change unit integrating with pulse tube cryocoolers

NASA Astrophysics Data System (ADS)

Chunhui, Kong; Liubiao, Chen; Sixue, Liu; Yuan, Zhou; Junjie, Wang

2017-02-01

This article presents the design and computer model results of an integrated cooler system which consists of a single stage pulse tube cryocooler integrated with a small amount of a phase change material. A cryogenic thermal switch was used to thermally connect the phase change unit to the cold end of the cryocooler. During heat load operation, the cryogenic thermal switch is turned off to avoid vibrations. The phase change unit absorbs heat loads by melting a substance in a constant pressure-temperature-volume process. Once the substance has been melted, the cryogenic thermal turned on, the cryocooler can then refreeze the material. Advantages of this type of cooler are no vibrations during sensor operations; the ability to absorb increased heat loads; potentially longer system lifetime; and a lower mass, volume and cost. A numerical model was constructed from derived thermodynamic relationships for the cooling/heating and freezing/melting processes.

Gas-Phase Dimerization of Ethylene under Mild Conditions Catalyzed by MOF Materials Containing (bpy)Ni II Complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Madrahimov, Sherzod T.; Gallagher, James R.; Zhang, Guanghui

2015-10-09

NU-1000-(bpy)Ni-II, a highly porous MOF material possessing well-defined (bpy)Ni-II moieties, was prepared through solvent-assisted ligand incorporation (SALI). Treatment with Et2AlCl affords a single-site catalyst with excellent catalytic activity for ethylene dimerization (intrinsic activity for butenes that is up to an order of magnitude higher than the corresponding (bpy)NiCl2 homogeneous analogue) and stability (can be reused at least three times). The high porosity of this catalyst results in outstanding levels of activity at ambient temperature in gas-phase ethylene dimerization reactions, both under batch and continuous flow conditions.

Advanced transition metal phosphide materials from single-source molecular precursors

NASA Astrophysics Data System (ADS)

Colson, Adam Caleb

In this thesis, the feasibility of employing organometallic single-source precursors in the preparation of advanced transition metal pnictide materials such as colloidal nanoparticles and films has been investigated. In particular, the ternary FeMnP phase was targeted as a model for preparing advanced heterobimetallic phosphide materials, and the iron-rich Fe3P phase was targeted due to its favorable ferromagnetic properties as well as the fact that the preparation of advanced Fe3P materials has been elusive by commonly used methods. Progress towards the synthesis of advanced Fe2--xMn xP nanomaterials and films was facilitated by the synthesis of the novel heterobimetallic complexes FeMn(CO)8(mu-PR1R 2) (R1 = H, R2 = H or R1 = H, R2 = Ph), which contain the relatively rare mu-PH2 and mu-PPhH functionalities. Iron rich Fe2--xMnxP nanoparticles were obtained by thermal decomposition of FeMn(CO)8(mu-PH 2) using solution-based synthetic methods, and empirical evidence suggested that oleic acid was responsible for manganese depletion. Films containing Fe, Mn, and P with the desired stoichiometric ratio of 1:1:1 were prepared using FeMn(CO)8(mu-PH2) in a simple low-pressure metal-organic chemical vapor deposition (MOCVD) apparatus. Although the elemental composition of the precursor was conserved in the deposited film material, spectroscopic evidence indicated that the films were not composed of pure-phase FeMnP, but were actually mixtures of crystalline FeMnP and amorphous FeP and Mn xOy. A new method for the preparation of phase-pure ferromagnetic Fe 3P films on quartz substrates has also been developed. This approach involved the thermal decomposition of the single-source precursors H 2Fe3(CO)9PR (R = tBu or Ph) at 400 °C. The films were deposited using a simple home-built MOCVD apparatus and were characterized using a variety of analytical methods. The films exhibited excellent phase purity, as evidenced by X-ray diffraction, X-ray photoelectron spectroscopy, and field-dependent magnetization measurements, the results of which were all in good agreement with measurements obtained from bulk Fe3P. As-deposited Fe3P films were found to be amorphous, and little or no magnetic hysteresis was observed in plots of magnetization versus applied field. Annealing the Fe3P films at 550 °C resulted in improved crystallinity as well as the observation of magnetic hysteresis.

the Characteristic Phase Transitions of Co-doped BaFe2 As2 Synthesized via Flux Growth

NASA Astrophysics Data System (ADS)

Shea, C. H.; Roncaioli, C.; Eckberg, C.; Drye, T.; Sulliavan, M. C.; Paglione, J.

2015-03-01

Since the discovery of a new family of type II superconductors in 2008, the iron pnictides, researches have had suspicions that they might bear similar electronic properties to the well-known (but not easily understood) oxide superconductors. For this reason studies on this family of compounds has been of great interest to the materials science community. Our efforts have been aimed at single crystal growth and measurement of a particular member of this family, BaFe2As2. While this material is not superconducting at standard pressure, the partial substitution of cobalt on the iron site has been shown to suppresses an anti-ferromagnetic phase transition occurring at lower temperatures allowing for the appearance of a superconducting phase. Transport and low field magnetization measurements taken on our samples show clean transitions, indicating Tc's of up to 24 K in optimally doped samples. We will discuss the growth methods and temperature dependent phase transitions of this material at different cobalt concentrations. This work was supported by NSF Grant DMR-1305637.

In Situ XAS and XRD Studies of Substituted Spinel Lithium Manganese Oxides in the 4-5 V Region

DOE Office of Scientific and Technical Information (OSTI.GOV)

McBreen, J.; Mukerjee, S.; Yang, X. Q.

Partial substitution of Mn in lithium manganese oxide spinel materials by Cu and Ni greatly affects the electrochemistry and the phase behavior of the cathode. Substitution with either metal or with a combination of both shortens the 4.2 V plateau and results in higher voltage plateaus. In situ x-ray absorption (XAS) studies indicate that the higher voltage plateaus are related to redox processes on the substituents. In situ x-ray diffraction (XRD) on LiCu{sub 0.5}Mn{sub 1.5}O{sub 4} shows single phase behavior during the charge and discharge process. Three phases are observed for LiNi{sub 0.5}Mn{sub 1.5}O{sub 4} and two phases are observedmore » in the case of LiNi{sub 0.25}Cu{sub 0.25}Mn{sub 1.5}O{sub 4}. The electrolyte stability is dependent on both the operating voltage and the cathode composition. Even though Ni substituted materials have lower voltages, the electrolyte is more stable in cells with the Cu substituted materials.« less

Off-stoichiometric silver antimony telluride: An experimental study of transport properties with intrinsic and extrinsic doping

DOE PAGES

Nielsen, Michele D.; Jaworski, Christopher M.; Heremans, Joseph P.

2015-03-20

AgSbTe 2 is a thermoelectric semiconductor with an intrinsically low thermal conductivity and a valence band structure that is favorable to obtaining a high thermoelectric figure of merit zT. It also has a very small energy gap Eg ~ 7.6 ± 3 meV. As this gap is less than the thermal excitation energy at room temperature, near-intrinsic AgSbTe 2 is a two carrier system having both holes (concentration p) and electrons ( n). Good thermoelectric performance requires heavy p-type doping ( p > > n). This can be achieved with native defects or with extrinsic doping, e.g. with transition metalmore » element. The use of defect doping is complicated by the fact that many of the ternary Ag-Sb-Te and pseudo-binary Sb 2Te 3-Ag 2Te phase diagrams are contradictory. This paper determines the compositional region most favorable to creating a single phase material. Through a combination of intrinsic and extrinsic doping, values of zT > 1 are achieved, though not on single-phased material. In addition, we show that thermal conductivity is not affected by defects, further demonstrating that the low lattice thermal conductivity of I-V-VI 2 materials is due to an intrinsic mechanism, insensitive to changes in defect structure.« less

Electrical injection Ga(AsBi)/(AlGa)As single quantum well laser

NASA Astrophysics Data System (ADS)

Ludewig, P.; Knaub, N.; Hossain, N.; Reinhard, S.; Nattermann, L.; Marko, I. P.; Jin, S. R.; Hild, K.; Chatterjee, S.; Stolz, W.; Sweeney, S. J.; Volz, K.

2013-06-01

The Ga(AsBi) material system opens opportunities in the field of high efficiency infrared laser diodes. We report on the growth, structural investigations, and lasing properties of dilute bismide Ga(AsBi)/(AlGa)As single quantum well lasers with 2.2% Bi grown by metal organic vapor phase epitaxy on GaAs (001) substrates. Electrically injected laser operation at room temperature is achieved with a threshold current density of 1.56 kA/cm2 at an emission wavelength of ˜947 nm. These results from broad area devices show great promise for developing efficient IR laser diodes based on this emerging materials system.

Installation report : thick lift bituminous base : construction and materials phase.

DOT National Transportation Integrated Search

1972-01-01

During the 1970 construction season, the Basic Construction Company of Newport News, laid a 9-inch bituminous concrete base course in a single lift directly on an unimproved subgrade on a section of Route 31 just southwest of Williamsburg, as specifi...

Reversible Phase Transition with Ultralarge Dielectric Relaxation Behaviors in Succinimide Lithium(I) Hybrids.

PubMed

Tang, Yun-Zhi; Wang, Bin; Zhou, Hai-Tao; Chen, Shao-Peng; Tan, Yu-Hui; Wang, Chang-Feng; Yang, Chang-Shan; Wen, He-Rui

2018-02-05

Dielectric relaxations have widely applied on high permittivity capacitors, dielectric switches, ferroelectrics, pyroelectrics, and electrical insulating materials. However, few investigations of large dielectric relaxation behaviors on organic-inorganic hybrid materials have been documented before. Here we present a novel two-dimensional succinimide lithium(I) hybrid compound, [Li(PDD) 2 ClO 4 ] n , 1, (PDD = 2,5-pyrrolidinedione = succinimide) which shows reversible phase transition behavior in the vicinity of 228 K accompanied by an unusual symmetry breaking from I4 1 /amd to C2/c. X-ray single crystal diffractions analysis indicates the twist motion of pyrrolidine heterocycles, and order-disorder motion of ClO 4 - anions triggered the reversible phase transition. By means of an intuitive crystallographic model (rattling ion model), we further illustrated the mechanism of the interesting reversible phase transition. Particularly, 1 shows ultralarge dielectric relaxation behavior in the vicinity of the phase transition by its dielectric constant dependence on temperatures and frequencies as well as its Cole-Cole relation.

Phase equilibria in fullerene-containing systems as a basis for development of manufacture and application processes for nanocarbon materials

NASA Astrophysics Data System (ADS)

Semenov, K. N.; Charykov, N. A.; Postnov, V. N.; Sharoyko, V. V.; Murin, I. V.

2016-01-01

This review is the first attempt to integrate the available data on all types of phase equilibria (solubility, extraction and sorption) in systems containing light fullerenes (C60 and C70). In the case of solubility diagrams, the following types of phase equilibria are considered: individual fullerene (C60 or C70)-solvent under polythermal and polybaric conditions; C60-C70-solvent, individual fullerene-solvent(1)-solvent(2), as well as multicomponent systems comprising a single fullerene or an industrial mixture of fullerenes and vegetable oils, animal fats or essential oils under polythermal conditions. All published experimental data on the extraction equilibria in C60-C70-liquid phase(1)-liquid phase(2) systems are described systematically and the sorption characteristics of various materials towards light fullerenes are estimated. The possibility of application of these experimental data for development of pre-chromatographic and chromatographic methods for separation of fullerene mixtures and application of fullerenes as nanomodifiers are described. The bibliography includes 87 references.

High-temperature solution growth and characterization of (1-x)PbTiO3-xBi(Zn2/3Nb1/3)O3 piezo-/ferroelectric single crystals

NASA Astrophysics Data System (ADS)

Paterson, Alisa R.; Zhao, Jinyan; Liu, Zenghui; Wu, Xiaoqing; Ren, Wei; Ye, Zuo-Guang

2018-03-01

Complex perovskite PbTiO3-Bi(Me‧Me″)O3 solid solutions represent new materials systems that possess a higher Curie temperature (TC) than the relaxor-PbTiO3 solid solutions, and are useful for potential applications. To this end, novel ferroelectric single crystals of the (1-x)PbTiO3-xBi(Zn2/3Nb1/3)O3 (PT-BZN) solid solution were successfully grown by the high-temperature solution growth (HTSG) method. Powder X-ray diffraction shows that the symmetry of the grown crystals is tetragonal. The dielectric permittivity and optical domain structures were characterized by dielectric measurements and polarized light microscopy, respectively, as a function of temperature, revealing a first-order ferroelectric-paraelectric phase transition at a TC of 436 ± 2 °C. Based on the TC, the average composition of the crystal platelet was estimated to be 0.58PT-0.42BZN. Piezoresponse force microscopy measurements of the phase and amplitude as a function of voltage reveal the complex polar domain structure and demonstrate the ferroelectric switching behaviour of these materials. These results suggest that the PT-BZN single crystals indeed form a new family of high TC piezo-/ferroelectric materials which are potentially useful for the fabrication of electromechanical transducers for high-temperature applications.

Biocompatible low Young's modulus achieved by strong crystallographic elastic anisotropy in Ti-15Mo-5Zr-3Al alloy single crystal.

PubMed

Lee, S-H; Todai, M; Tane, M; Hagihara, K; Nakajima, H; Nakano, T

2012-10-01

The elastic anisotropy of the Ti-15Mo-5Zr-3Al (mass%) β-Ti alloy, an ISO certified biomedical material, was investigated using its single crystal. It was revealed that the Young's modulus exhibited pronounced anisotropy. The Young's modulus was reduced to 44.4GPa along the 〈100〉 direction in the Ti-15Mo-5Zr-3Al single crystal, that is comparable to that of human cortical bones. We determined the strategy that β-Ti alloys with extremely low moduli can be developed by reducing the electron-atom (e/a) ratio in alloys, and by suppressing the formation of the ω-phase at the same time. This new knowledge must lead to the development of "single crystalline β-Ti implant materials" as hard tissue replacements for reducing the stress shielding effect. Copyright © 2012 Elsevier Ltd. All rights reserved.

Hydrogen separation through tailored dual phase membranes with nominal composition BaCe0.8Eu0.2O3-δ:Ce0.8Y0.2O2-δ at intermediate temperatures

NASA Astrophysics Data System (ADS)

Ivanova, Mariya E.; Escolástico, Sonia; Balaguer, Maria; Palisaitis, Justinas; Sohn, Yoo Jung; Meulenberg, Wilhelm A.; Guillon, Olivier; Mayer, Joachim; Serra, Jose M.

2016-11-01

Hydrogen permeation membranes are a key element in improving the energy conversion efficiency and decreasing the greenhouse gas emissions from energy generation. The scientific community faces the challenge of identifying and optimizing stable and effective ceramic materials for H2 separation membranes at elevated temperature (400-800 °C) for industrial separations and intensified catalytic reactors. As such, composite materials with nominal composition BaCe0.8Eu0.2O3-δ:Ce0.8Y0.2O2-δ revealed unprecedented H2 permeation levels of 0.4 to 0.61 mL·min-1·cm-2 at 700 °C measured on 500 μm-thick-specimen. A detailed structural and phase study revealed single phase perovskite and fluorite starting materials synthesized via the conventional ceramic route. Strong tendency of Eu to migrate from the perovskite to the fluorite phase was observed at sintering temperature, leading to significant Eu depletion of the proton conducing BaCe0.8Eu0.2O3-δ phase. Composite microstructure was examined prior and after a variety of functional tests, including electrical conductivity, H2-permeation and stability in CO2 containing atmospheres at elevated temperatures, revealing stable material without morphological and structural changes, with segregation-free interfaces and no further diffusive effects between the constituting phases. In this context, dual phase material based on BaCe0.8Eu0.2O3-δ:Ce0.8Y0.2O2-δ represents a very promising candidate for H2 separating membrane in energy- and environmentally-related applications.

Effect of Eu–Ni substitution on electrical and dielectric properties of Co–Sr–Y-type hexagonal ferrite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ali, Irshad, E-mail: irshadalibzu@gmail.com; Islam, M.U.; Ashiq, Muhammad Naeem, E-mail: naeemashiqqau@yahoo.com

2014-01-01

Graphical abstract: - Highlights: • Single phase nanostructured Sr{sub 2}Co{sub 2−x}Ni{sub x} Eu{sub y}Fe{sub 12−y}O{sub 22} were synthesized by the microemulsion method. • The materials show semiconducting behavior. • The high resistivity makes these materials useful for high frequency applications. • The Curie temperature decreases with the substituents. - Abstract: Single phase nanostructured Eu–Ni substituted Y-type hexaferrites with nominal composition Sr{sub 2}Co{sub 2−x}Ni{sub x} Eu{sub y}Fe{sub 12−y}O{sub 22} (x = 0.0–1, y = 0.0–0.1) were synthesized by the normal microemulsion method. X-ray diffraction (XRD) technique was employed for phase analysis and indexing of each pattern corroborates that well defined Y-typemore » crystalline phase is formed. It is observed that DC resistivity enhanced which is accredited to room temperature resistivity differences of dopant and host ions. The hopping of electrons and jumping of holes are responsible for conduction below Curie temperature (T{sub C}), whereas above Curie temperature is due to polaron hopping. The decrease in T{sub C} may be due to the fact that Eu–Fe interactions on the B sites are weaker than Fe–Fe interaction. The dispersion in the dielectric constant ε′(f) favor the occurrence of peaks in the tan δ(f). The extraordinary values of resistivity and small dielectric loss make these materials pre-eminent contestant for high frequency applications.« less

Thermal-induced phase transition and assembly of hexagonal metastable In 2O 3 nanocrystals: A new approach to In 2O 3 functional materials

NASA Astrophysics Data System (ADS)

Shu, Shiwen; Yu, Dabin; Wang, Yan; Wang, Feng; Wang, Zirong; Zhong, Wu

2010-10-01

This paper reports on the thermal-induced performance of hexagonal metastable In 2O 3 nanocrystals involving in phase transition and assembly, with particular emphasis on the assembly for the preparation of functional materials. For In 2O 3 nanocrystals, the metastable phase was found to be thermally unstable and transform to cubic phase when temperature was higher than 600 °C, accompanied by assembly as well as evolution of optical properties, but the two polymorphs coexisted at the temperature ranging from 600 to 900 °C, during which the content of product phase and crystal size gradually increased upon increasing temperature. The assembly of In 2O 3 nanocrystals can be developed to fabricate In 2O 3 functional materials, such as various ceramic materials, or even desired nano- or micro-structures, by using metastable In 2O 3 nanocrystals as precursors or building blocks. The electrical resistivity of In 2O 3 conductive film fabricated by a hot-pressing route was as low as 3.72×10 -3 Ω cm, close to that of In 2O 3 single crystal, which is important for In 2O 3 that is always used as conductive materials. The findings should be of importance for both the wide applications of In 2O 3 in optical and electronic devices and theoretical investigations on crystal structures.

Engineering multiple topological phases in nanoscale Van der Waals heterostructures: realisation of α-antimonene

NASA Astrophysics Data System (ADS)

Märkl, T.; Kowalczyk, P. J.; Le Ster, M.; Mahajan, I. V.; Pirie, H.; Ahmed, Z.; Bian, G.; Wang, X.; Chiang, T.-C.; Brown, S. A.

2018-01-01

Van der Waals heterostructures have recently been identified as providing many opportunities to create new two-dimensional materials, and in particular to produce materials with topologically-interesting states. Here we show that it is possible to create such heterostructures with multiple topological phases in a single nanoscale island. We discuss their growth within the framework of diffusion-limited aggregation, the formation of moiré patterns due to the differing crystallographies of the materials comprising the heterostructure, and the potential to engineer both the electronic structure as well as local variations of topological order. In particular we show that it is possible to build islands which include both the hexagonal β- and rectangular α-forms of antimonene, on top of the topological insulator α-bismuthene. This is the first experimental realisation of α-antimonene, and we show that it is a topologically non-trivial material in the quantum spin Hall class.

Highly tensile-strained Ge/InAlAs nanocomposites

NASA Astrophysics Data System (ADS)

Jung, Daehwan; Faucher, Joseph; Mukherjee, Samik; Akey, Austin; Ironside, Daniel J.; Cabral, Matthew; Sang, Xiahan; Lebeau, James; Bank, Seth R.; Buonassisi, Tonio; Moutanabbir, Oussama; Lee, Minjoo Larry

2017-01-01

Self-assembled nanocomposites have been extensively investigated due to the novel properties that can emerge when multiple material phases are combined. Growth of epitaxial nanocomposites using lattice-mismatched constituents also enables strain-engineering, which can be used to further enhance material properties. Here, we report self-assembled growth of highly tensile-strained Ge/In0.52Al0.48As (InAlAs) nanocomposites by using spontaneous phase separation. Transmission electron microscopy shows a high density of single-crystalline germanium nanostructures coherently embedded in InAlAs without extended defects, and Raman spectroscopy reveals a 3.8% biaxial tensile strain in the germanium nanostructures. We also show that the strain in the germanium nanostructures can be tuned to 5.3% by altering the lattice constant of the matrix material, illustrating the versatility of epitaxial nanocomposites for strain engineering. Photoluminescence and electroluminescence results are then discussed to illustrate the potential for realizing devices based on this nanocomposite material.

Highly tensile-strained Ge/InAlAs nanocomposites

PubMed Central

Jung, Daehwan; Faucher, Joseph; Mukherjee, Samik; Akey, Austin; Ironside, Daniel J.; Cabral, Matthew; Sang, Xiahan; Lebeau, James; Bank, Seth R.; Buonassisi, Tonio; Moutanabbir, Oussama; Lee, Minjoo Larry

2017-01-01

Self-assembled nanocomposites have been extensively investigated due to the novel properties that can emerge when multiple material phases are combined. Growth of epitaxial nanocomposites using lattice-mismatched constituents also enables strain-engineering, which can be used to further enhance material properties. Here, we report self-assembled growth of highly tensile-strained Ge/In0.52Al0.48As (InAlAs) nanocomposites by using spontaneous phase separation. Transmission electron microscopy shows a high density of single-crystalline germanium nanostructures coherently embedded in InAlAs without extended defects, and Raman spectroscopy reveals a 3.8% biaxial tensile strain in the germanium nanostructures. We also show that the strain in the germanium nanostructures can be tuned to 5.3% by altering the lattice constant of the matrix material, illustrating the versatility of epitaxial nanocomposites for strain engineering. Photoluminescence and electroluminescence results are then discussed to illustrate the potential for realizing devices based on this nanocomposite material. PMID:28128282

Mesoscale phase distribution in single particles of LiFePO4 following lithium deintercalation

PubMed Central

Boesenberg, Ulrike; Meirer, Florian; Liu, Yijin; Shukla, Alpesh K.; Dell’Anna, Rossana; Tyliszczak, Tolek; Chen, Guoying; Andrews, Joy C.; Richardson, Thomas J.; Kostecki, Robert; Cabana, Jordi

2013-01-01

The chemical phase distribution in hydrothermally grown micrometric single crystals LiFePO4 following partial chemical delithiation was investigated. Full field and scanning X-ray microscopy were combined with X-ray absorption spectroscopy at the Fe K- and O K-edges, respectively, to produce maps with high chemical and spatial resolution. The resulting information was compared to morphological insight into the mechanics of the transformation by scanning transmission electron microscopy. This study revealed the interplay at the mesocale between microstructure and phase distribution during the redox process, as morphological defects were found to kinetically determine the progress of the reaction. Lithium deintercalation was also found to induce severe mechanical damage in the crystals, presumably due to the lattice mismatch between LiFePO4 and FePO4. Our results lead to the conclusion that rational design of intercalation-based electrode materials, such as LiFePO4, with optimized utilization and life requires the tailoring of particles that minimize kinetic barriers and mechanical strain. Coupling TXM-XANES with TEM can provide unique insight into the behavior of electrode materials during operation, at scales spanning from nanoparticles to ensembles and complex architectures. PMID:23745016

A microstructurally based model of solder joints under conditions of thermomechanical fatigue

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frear, D.R.; Burchett, S.N.; Rashid, M.M.

The thermomechanical fatigue failure of solder joints in increasingly becoming an important reliability issue. In this paper we present two computational methodologies that have been developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions that are based on metallurgical tests as fundamental input for constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations from this model agree well with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. Themore » single phase model is a computational technique that was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests and the results showed an adequate fit to experimental results. The single-phase model could be very useful for conditions where microstructural evolution is not a dominant factor in fatigue.« less

Ignition of deuterium-trtium fuel targets

DOEpatents

Musinski, Donald L.; Mruzek, Michael T.

1991-01-01

A method of igniting a deuterium-tritium ICF fuel target to obtain fuel burn in which the fuel target initially includes a hollow spherical shell having a frozen layer of DT material at substantially uniform thickness and cryogenic temperature around the interior surface of the shell. The target is permitted to free-fall through a target chamber having walls heated by successive target ignitions, so that the target is uniformly heated during free-fall to at least partially melt the frozen fuel layer and form a liquid single-phase layer or a mixed liquid/solid bi-phase layer of substantially uniform thickness around the interior shell surface. The falling target is then illuminated from exteriorly of the chamber while the fuel layer is at substantially uniformly single or bi-phase so as to ignite the fuel layer and release energy therefrom.

Ignition of deuterium-tritium fuel targets

DOEpatents

Musinski, D.L.; Mruzek, M.T.

1991-08-27

Disclosed is a method of igniting a deuterium-tritium ICF fuel target to obtain fuel burn in which the fuel target initially includes a hollow spherical shell having a frozen layer of DT material at substantially uniform thickness and cryogenic temperature around the interior surface of the shell. The target is permitted to free-fall through a target chamber having walls heated by successive target ignitions, so that the target is uniformly heated during free-fall to at least partially melt the frozen fuel layer and form a liquid single-phase layer or a mixed liquid/solid bi-phase layer of substantially uniform thickness around the interior shell surface. The falling target is then illuminated from exteriorly of the chamber while the fuel layer is at substantially uniformly single or bi-phase so as to ignite the fuel layer and release energy therefrom. 5 figures.

Atomically thin two-dimensional organic-inorganic hybrid perovskites.

PubMed

Dou, Letian; Wong, Andrew B; Yu, Yi; Lai, Minliang; Kornienko, Nikolay; Eaton, Samuel W; Fu, Anthony; Bischak, Connor G; Ma, Jie; Ding, Tina; Ginsberg, Naomi S; Wang, Lin-Wang; Alivisatos, A Paul; Yang, Peidong

2015-09-25

Organic-inorganic hybrid perovskites, which have proved to be promising semiconductor materials for photovoltaic applications, have been made into atomically thin two-dimensional (2D) sheets. We report the solution-phase growth of single- and few-unit-cell-thick single-crystalline 2D hybrid perovskites of (C4H9NH3)2PbBr4 with well-defined square shape and large size. In contrast to other 2D materials, the hybrid perovskite sheets exhibit an unusual structural relaxation, and this structural change leads to a band gap shift as compared to the bulk crystal. The high-quality 2D crystals exhibit efficient photoluminescence, and color tuning could be achieved by changing sheet thickness as well as composition via the synthesis of related materials. Copyright © 2015, American Association for the Advancement of Science.

Phase-Defined van der Waals Schottky Junctions with Significantly Enhanced Thermoelectric Properties.

PubMed

Wang, Qiaoming; Yang, Liangliang; Zhou, Shengwen; Ye, Xianjun; Wang, Zhe; Zhu, Wenguang; McCluskey, Matthew D; Gu, Yi

2017-07-06

We demonstrate a van der Waals Schottky junction defined by crystalline phases of multilayer In 2 Se 3 . Besides ideal diode behaviors and the gate-tunable current rectification, the thermoelectric power is significantly enhanced in these junctions by more than three orders of magnitude compared with single-phase multilayer In 2 Se 3 , with the thermoelectric figure-of-merit approaching ∼1 at room temperature. Our results suggest that these significantly improved thermoelectric properties are not due to the 2D quantum confinement effects but instead are a consequence of the Schottky barrier at the junction interface, which leads to hot carrier transport and shifts the balance between thermally and field-driven currents. This "bulk" effect extends the advantages of van der Waals materials beyond the few-layer limit. Adopting such an approach of using energy barriers between van der Waals materials, where the interface states are minimal, is expected to enhance the thermoelectric performance in other 2D materials as well.

Reversible optical switching of highly confined phonon-polaritons with an ultrathin phase-change material

NASA Astrophysics Data System (ADS)

Li, Peining; Yang, Xiaosheng; Maß, Tobias W. W.; Hanss, Julian; Lewin, Martin; Michel, Ann-Katrin U.; Wuttig, Matthias; Taubner, Thomas

2016-08-01

Surface phonon-polaritons (SPhPs), collective excitations of photons coupled with phonons in polar crystals, enable strong light-matter interaction and numerous infrared nanophotonic applications. However, as the lattice vibrations are determined by the crystal structure, the dynamical control of SPhPs remains challenging. Here, we realize the all-optical, non-volatile, and reversible switching of SPhPs by controlling the structural phase of a phase-change material (PCM) employed as a switchable dielectric environment. We experimentally demonstrate optical switching of an ultrathin PCM film (down to 7 nm, <λ/1,200) with single laser pulses and detect ultra-confined SPhPs (polariton wavevector kp > 70k0, k0 = 2π/λ) in quartz. Our proof of concept allows the preparation of all-dielectric, rewritable SPhP resonators without the need for complex fabrication methods. With optimized materials and parallelized optical addressing we foresee application potential for switchable infrared nanophotonic elements, for example, imaging elements such as superlenses and hyperlenses, as well as reconfigurable metasurfaces and sensors.

A Review of Single Source Precursors for the Deposition of Ternary Chalcopyrite Materials

NASA Technical Reports Server (NTRS)

Banger, K. K.; Cowen, J.; Harris, J.; McClarnon, R.; Hehemann, D. G.; Duraj, S. A.; Scheiman, D.; Hepp, A. F.

2002-01-01

The development of thin-film solar cells on flexible, lightweight, space-qualified durable substrates (i.e. Kapton) provides an attractive solution to fabricating solar arrays with high specific power, (W/kg). The syntheses and thermal modulation of ternary single source precursors, based on the [{LR}2Cu(SR')2In(SR')2] architecture in good yields are described. Thermogravimetric analyses (TGA) and Low temperature Differential Scanning Caloriometry, (DSC) demonstrate that controlled manipulation of the steric and electronic properties of either the group five-donor and/or chalcogenide moiety permits directed adjustment of the thermal stability and physical properties of the precursors. TGA-Evolved Gas Analysis, confirms that single precursors decompose by the initial extrusion of the sulphide moiety, followed by the loss of the neutral donor group, (L) to release the ternary chalcopyrite matrix. X-ray diffraction studies, EDS and SEM on the non-volatile pyrolized material demonstrate that these derivatives afford single-phase CuInS2/CuInSe2 materials at low temperature. Thin-film fabrication studies demonstrate that these single source precursors can be used in a spray chemical vapor deposition process, for depositing CuInS2 onto flexible polymer substrates at temperatures less than 400 C.

Phase formation and UV luminescence of Gd{sup 3+} doped perovskite-type YScO{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shimizu, Yuhei; Ueda, Kazushige, E-mail: kueda@che.kyutech.ac.jp

Synthesis of pure and Gd{sup 3+}doped perovskite-type YScO{sub 3} was attempted by a polymerized complex (PC) method and solid state reaction (SSR) method. Crystalline phases and UV luminescence of samples were examined with varying heating temperatures. The perovskite-type single phase was not simply formed in the SSR method, as reported in some literatures, and two cubic C-type phases of starting oxide materials remained forming slightly mixed solid solutions. UV luminescence of Gd{sup 3+} doped samples increased with an increase in heating temperatures and volume of the perovskite-type phase. In contrast, a non-crystalline precursor was crystallized to a single C-type phasemore » at 800 °C in the PC method forming a completely mixed solid solution. Then, the phase of perovskite-type YScO{sub 3} formed at 1200 °C and its single phase was obtained at 1400 °C. It was revealed that high homogeneousness of cations was essential to generate the single perovskite-phase of YScO{sub 3}. Because Gd{sup 3+} ions were also dissolved into the single C-type phase in Gd{sup 3+} doped samples, intense UV luminescence was observed above 800 °C in both C-type phase and perovskite-type phase. - Graphical abstract: A pure perovskite-type YScO{sub 3} phase was successfully synthesized by a polymerized complex (PC) method. The perovskite-type YScO{sub 3} was generated through a solid solution of C-type (Y{sub 0.5}Sc{sub 0.5}){sub 2}O{sub 3} with drastic change of morphology. The PC method enabled a preparation of the single phase of the perovskite-type YScO{sub 3} at lower temperature and in shorter heating time. Gd{sup 3+} doped perovskite-type YScO{sub 3} was found to show a strong sharp UV emission at 314 nm. - Highlights: • Pure YScO{sub 3} phase was successfully synthesized by polymerized complex (PC) method. • Pure perovskite-type YScO{sub 3} phase was generated from pure C-type (Y{sub 0.5}Sc{sub 0.5}){sub 2}O{sub 3} one. • YScO{sub 3} was obtained at lower temperature and in shorter heating time by PC method. • Perovskite-type YScO{sub 3}:Gd{sup 3+} was found to show strong sharp UV emission at 314 nm.« less

Ultrasonic Nondestructive Evaluation Techniques Applied to the Quantitative Characterization of Textile Composite Materials

NASA Technical Reports Server (NTRS)

Miller, James G.

1997-01-01

In this Progress Report, we describe our recent developments of advanced ultrasonic nondestructive evaluation methods applied to the characterization of anisotropic materials. We present images obtained from experimental measurements of ultrasonic diffraction patterns for a thin woven composite in an immersion setup. In addition, we compare apparent signal loss measurements of the thin woven composite for phase-sensitive and phase-insensitive detection methods. All images of diffraction patterns have been included on the accompanying CD-ROM in the Adobe(Trademark) Portable Document Format (PDF). Due to the extensive amount of data, however, hardcopies of only a small representative selection of the images are included within the printed report. This Progress Report presents experimental results that support successful implementation of single element as well as one and two-dimensional ultrasonic array technologies for the inspection of textile composite structures. In our previous reports, we have addressed issues regarding beam profiles of ultrasonic pressure fields transmitted through a water reference path and transmitted through a thin woven composite sample path. Furthermore, we presented experimental results of the effect of a thin woven composite on the magnitude of an insonifying ultrasonic pressure field. In addition to the study of ultrasonic beam profiles, we consider issues relevant to the application of single-element, one-dimensional, and two-dimensional array technologies towards probing the mechanical properties of advanced engineering composites and structures. We provide comparisons between phase-sensitive and phase-insensitive detection methods for determination of textile composite structure parameters. We also compare phase-sensitive and phase-insensitive - - ---- ----- apparent signal loss measurements in an effort to study the phenomenon of phase cancellation at the face of a finite-aperture single-element receiver. Furthermore, in this Progress Report we extend our work on ultrasonic beam profile issues through investigation of the phase fronts of the pressure field. In Section H of this Progress Report we briefly describe the experimental arrangement and methods for data acquisition of the ultrasonic diffraction patterns upon transmission through a thin woven composite. Section III details the analysis of the experimental data followed by the experimental results in Section IV. Finally, a discussion of the observations and conclusions is found in Section V.

Solar radiation synthesis of functional carbonaceous materials using Al2O3/TiO2-Cu-HA doped catalyst

NASA Astrophysics Data System (ADS)

Stanciu, Elena Manuela; Pascu, Alexandru; Roată, Ionut Claudiu; Croitoru, Cătălin; Tierean, Mircea; Rosca, Julia Mirza; Hulka, Iosif

2018-04-01

Single carbon nanotubes were synthesized through a physical vapor deposition method, using concentrated solar radiation as means of vaporization and promoting the formation of carbonaceous plasma plume. A novel catalyst, containing multiple hybrid ceramic/metal phases has been obtained through flame spraying. In conjunction with this catalyst, good quality nanomaterials, such as long single-walled nanotubes and nanoparticles have been obtained and characterized by both morphological (SEM, TEM) as well as structural means on analysis (XRD, FTIR). A mild oxidation of the carbonaceous phase has been reported, which could prove useful in applications in conjunction with metals or hydrophilic polymers as potential matrices for nanocomposites obtaining.

Single step synthesis of nanostructured boron nitride for boron neutron capture therapy

NASA Astrophysics Data System (ADS)

Singh, Bikramjeet; Singh, Paviter; Kumar, Manjeet; Thakur, Anup; Kumar, Akshay

2015-05-01

Nanostructured Boron Nitride (BN) has been successfully synthesized by carbo-thermic reduction of Boric Acid (H3BO3). This method is a relatively low temperature synthesis route and it can be used for large scale production of nanostructured BN. The synthesized nanoparticles have been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and differential thermal analyzer (DTA). XRD analysis confirmed the formation of single phase nanostructured Boron Nitride. SEM analysis showed that the particles are spherical in shape. DTA analysis showed that the phase is stable upto 900 °C and the material can be used for high temperature applications as well boron neutron capture therapy (BNCT).

Thermal neutron detector and gamma-ray spectrometer utilizing a single material

DOEpatents

Stowe, Ashley; Burger, Arnold; Lukosi, Eric

2017-05-02

A combined thermal neutron detector and gamma-ray spectrometer system, including: a detection medium including a lithium chalcopyrite crystal operable for detecting thermal neutrons in a semiconductor mode and gamma-rays in a scintillator mode; and a photodetector coupled to the detection medium also operable for detecting the gamma rays. Optionally, the detection medium includes a .sup.6LiInSe.sub.2 crystal. Optionally, the detection medium comprises a compound formed by the process of: melting a Group III element; adding a Group I element to the melted Group III element at a rate that allows the Group I and Group III elements to react thereby providing a single phase I-III compound; and adding a Group VI element to the single phase I-III compound and heating; wherein the Group I element includes lithium.

Design of thermoelectrically highly efficient Heusler compounds using phase separations and nano-composites under an economic point of view

NASA Astrophysics Data System (ADS)

Balke, Benjamin

Half-Heusler (HH) compounds are one of the most promising candidates for thermoelectric materials for automotive and industrial waste heat recovery applications. In this talk, I will give an overview about our recent investigations of phase separations in HH thermoelectrics, focusing on the ternary system TiNiSn-ZrNiSn-HfNiSn. I will show how we adapted this knowledge to design a p-type HH compound which exhibits a ZT that is increased by 130% compared to the best published bulk p-type Heusler. I will also present how we used the phase separation to design thermoelectric highly efficient nano-composites of different single-phase materials. Since the price for Hafnium doubled within the last year, our research focused on the design of HH compounds without Hafnium. I will present a very recent calculation on ZT per Euro and efficiency per Euro for various materials followed by our latest very promising results for n-type Heusler compunds without Hafnium resulting in 20 times higher ZT/Euro values. These results strongly underline the importance of phase separations as a powerful tool for designing highly efficient materials for thermoelectric applications that fulfill the industrial demands for a thermoelectric converter. The author gratefully acknowledges financial support by the thermoHEUSLER2 Project (Project No. 19U15006F) of the German Federal Ministry of Economics and Technology (BMWi).

Influence of Strain Rate, Microstructure and Chemical and Phase Composition on Mechanical Behavior of Different Titanium Alloys

NASA Astrophysics Data System (ADS)

Markovsky, P. E.; Bondarchuk, V. I.

2017-07-01

Taking three titanium commercial alloys: commercial purity titanium (c.p.Ti), Ti-6-4 (Ti-6(wt.%)Al-4V) and TIMETAL-LCB (Ti-1.5Al-4.5Fe-6.8Mo) as program materials, the influence of phase composition, microstructure and strain rate (varied from 8 × 10-4 to 1.81 × 10-1) on the mechanical behavior was studied. The size of the matrix phase ( α- or β-grains) and size of α + β intragranular mixture were varied. Such parameter such as tensile toughness (TT) was used for analysis of the mechanical behavior of the materials on tension with different rates. It was found that the TT values monotonically decreased with strain rate, except Ti-6-4 alloy with a globular type of microstructure. In single-phase α-material (c.p.Ti), tensile deformation led to the formation of voids at the intragranular cell substructure, and merging of these voids caused the formation of main crack. In two-phase α + β materials, the deformation defects were localized upon tension predominantly near the α/ β interphase boundaries, and subsequent fracture had different characters: In Ti-6-4 globular condition fracture started by formation of voids at the α/ β interphase boundaries, whereas in all other conditions the voids nucleated at the tips of α-lamellae/needles.

Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys

DOE PAGES

Lu, Chenyang; Niu, Liangliang; Chen, Nanjun; ...

2016-12-15

A grand challenge in material science is to understand the correlation between intrinsic properties and defect dynamics. Radiation tolerant materials are in great demand for safe operation and advancement of nuclear and aerospace systems. Unlike traditional approaches that rely on microstructural and nanoscale features to mitigate radiation damage, this study demonstrates enhancement of radiation tolerance with the suppression of void formation by two orders magnitude at elevated temperatures in equiatomic single-phase concentrated solid solution alloys, and more importantly, reveals its controlling mechanism through a detailed analysis of the depth distribution of defect clusters and an atomistic computer simulation. The enhancedmore » swelling resistance is attributed to the tailored interstitial defect cluster motion in the alloys from a long-range one-dimensional mode to a short-range three-dimensional mode, which leads to enhanced point defect recombination. Finally, the results suggest design criteria for next generation radiation tolerant structural alloys.« less

Magnetic switching of ferroelectric domains at room temperature in multiferroic PZTFT

PubMed Central

Evans, D.M.; Schilling, A.; Kumar, Ashok; Sanchez, D.; Ortega, N.; Arredondo, M.; Katiyar, R.S.; Gregg, J.M.; Scott, J.F.

2013-01-01

Single-phase magnetoelectric multiferroics are ferroelectric materials that display some form of magnetism. In addition, magnetic and ferroelectric order parameters are not independent of one another. Thus, the application of either an electric or magnetic field simultaneously alters both the electrical dipole configuration and the magnetic state of the material. The technological possibilities that could arise from magnetoelectric multiferroics are considerable and a range of functional devices has already been envisioned. Realising these devices, however, requires coupling effects to be significant and to occur at room temperature. Although such characteristics can be created in piezoelectric-magnetostrictive composites, to date they have only been weakly evident in single-phase multiferroics. Here in a newly discovered room temperature multiferroic, we demonstrate significant room temperature coupling by monitoring changes in ferroelectric domain patterns induced by magnetic fields. An order of magnitude estimate of the effective coupling coefficient suggests a value of ~1 × 10−7 sm−1. PMID:23443562

Hierarchial Junction Solar Cells Based on Hyper-Branched Semiconductor Nanocrystals

DTIC Science & Technology

2009-06-30

Hyper-Branched Semiconductor Nanocrystals 4 2. Cu2S- CdS all-inorganic nanocrystal solar cells. We demonstrated the rational synthesis of... Hydrothermal Synthesis of Single Phase Pyrite FeS2 Nanocrystals. We demonstrated a single-source molecular precursor that can be used for the synthesis ... CdS Semiconductor Nanostructures,” Advanced Materials, (2008), 20(22), 4306. Y. Wu, C. Wadia, W. Ma, B. Sadtler, A. P. Alivisatos, “ Synthesis of

Seed crystals with improved properties for melt processing superconductors for practical applications

DOEpatents

Veal, B.W.; Paulikas, A.; Balachandran, U.; Zhong, W.

1997-03-18

A method of fabricating bulk superconducting material is disclosed including RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} comprising heating compressed powder oxides and/or carbonates of R and Ba and Cu present in mole ratios to form RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} in physical contact with an oxide single crystal seed to a temperature sufficient to form a liquid phase in the RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} while maintaining the single crystal seed solid to grow the superconducting material and thereafter cooling to provide a material including RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}}. R is a rare earth or Y or La and the single crystal seed has a lattice mismatch with RBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} of less than about 2% at the growth temperature. The starting material may be such that the final product contains a minor amount of R{sub 2}BaCuO{sub 5}.

Design and fabrication of PZN-7%PT single crystal high frequency angled needle ultrasound transducers.

PubMed

Zhou, Qifa; Wu, Dawei; Jin, Jing; Hu, Chang-hong; Xu, Xiaochen; Williams, Jay; Cannata, Jonathan M; Lim, Leongchew; Shung, K Kirk

2008-01-01

A high-frequency angled needle ultrasound transducer with an aperture size of 0.4 x 0.56 mm2 was fabricated using a lead zinc niobate-lead titanate (PZN- 7%PT) single crystal as the active piezoelectric material. The single crystal was bonded to a conductive silver particle matching layer and a conductive epoxy backing material through direct contact curing. A parylene outer matching layer was formed by vapor deposition. Angled needle probe configuration was achieved by dicing at 45 degrees to the single crystal poling direction to satisfy a clinical request for blood flow measurement in the posterior portion of the eye. The electrical impedance magnitude and phase of the transducer were 42 Omega and -63 degrees , respectively. The measured center frequency and the fractional bandwidth at -6 dB were 43 MHz and 45%, respectively. The two-way insertion loss was approximately 17 dB. Wire phantom imaging using fabricated PZN-7%PT single crystal transducers was obtained and spatial resolutions were assessed.

Direct growth of single-crystalline III–V semiconductors on amorphous substrates

DOE PAGES

Chen, Kevin; Kapadia, Rehan; Harker, Audrey; ...

2016-01-27

The III–V compound semiconductors exhibit superb electronic and optoelectronic properties. Traditionally, closely lattice-matched epitaxial substrates have been required for the growth of high-quality single-crystal III–V thin films and patterned microstructures. To remove this materials constraint, here we introduce a growth mode that enables direct writing of single-crystalline III–V’s on amorphous substrates, thus further expanding their utility for various applications. The process utilizes templated liquid-phase crystal growth that results in user-tunable, patterned micro and nanostructures of single-crystalline III–V’s of up to tens of micrometres in lateral dimensions. InP is chosen as a model material system owing to its technological importance. Themore » patterned InP single crystals are configured as high-performance transistors and photodetectors directly on amorphous SiO 2 growth substrates, with performance matching state-of-the-art epitaxially grown devices. In conclusion, the work presents an important advance towards universal integration of III–V’s on application-specific substrates by direct growth.« less

Direct growth of single-crystalline III–V semiconductors on amorphous substrates

PubMed Central

Chen, Kevin; Kapadia, Rehan; Harker, Audrey; Desai, Sujay; Seuk Kang, Jeong; Chuang, Steven; Tosun, Mahmut; Sutter-Fella, Carolin M.; Tsang, Michael; Zeng, Yuping; Kiriya, Daisuke; Hazra, Jubin; Madhvapathy, Surabhi Rao; Hettick, Mark; Chen, Yu-Ze; Mastandrea, James; Amani, Matin; Cabrini, Stefano; Chueh, Yu-Lun; Ager III, Joel W.; Chrzan, Daryl C.; Javey, Ali

2016-01-01

The III–V compound semiconductors exhibit superb electronic and optoelectronic properties. Traditionally, closely lattice-matched epitaxial substrates have been required for the growth of high-quality single-crystal III–V thin films and patterned microstructures. To remove this materials constraint, here we introduce a growth mode that enables direct writing of single-crystalline III–V's on amorphous substrates, thus further expanding their utility for various applications. The process utilizes templated liquid-phase crystal growth that results in user-tunable, patterned micro and nanostructures of single-crystalline III–V's of up to tens of micrometres in lateral dimensions. InP is chosen as a model material system owing to its technological importance. The patterned InP single crystals are configured as high-performance transistors and photodetectors directly on amorphous SiO2 growth substrates, with performance matching state-of-the-art epitaxially grown devices. The work presents an important advance towards universal integration of III–V's on application-specific substrates by direct growth. PMID:26813257

A New Multiphase Equation of State for SiO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maerzke, Katie A.; Gammel, J. Tinka

SiO 2 is found as α-quartz at ambient conditions. Under shock compression, it transforms into a much higher density stishovite-like phase around 20 GPa, then into a liquid phase above 100 GPa. The SESAME library contains older equations of state for α-quartz, polycrystalline quartz, and fused quartz. These equations of state model the material as a single phase; i.e., there is no high pressure phase transition. Somewhat more recently (in 1992), Jon Boettger published equations of state for α-quartz, coesite, and stishovite, along with a phase transition model to mix them. However, we do not have a multiphase EOS thatmore » captures the phase transitions in this material. Others are working on a high-accuracy model for very high pressure SiO 2, since liquid quartz is used as an impedance matching standard above 100 GPa; however, we are focused on the 10-50 GPa range. This intermediate pressure range is most relevant for modeling the decomposition products of silicone polymers such as Sylgard 184 and SX358.« less

A facile way to control phase of tin selenide flakes by chemical vapor deposition

NASA Astrophysics Data System (ADS)

Wang, Zhigang; Pang, Fei

2018-06-01

Although two-dimensional (2D) tin selenides are attracting intense attentions, studies on its phase transition are still relatively few. Here we report a facile way to control the phase growth of tin selenide flakes on mica and SiO2/Si by only adjusting nominal Sn:Se ratio, which refers to the amount of loaded SnO2 and Se precursors. High normal Sn:Se ratio induced SnSe flakes, conversely SnSe2 flakes formed. It could be used as a practical guide to selectively synthesize pure phase of single crystalline 2D layered chalcogenide materials similar to tin selenides.

Solid state proton and electron mediating membrane and use in catalytic membrane reactors

DOEpatents

White, James H.; Schwartz, Michael; Sammells, Anthony F.

1998-01-01

This invention provides catalytic proton and electron mediating membranes useful in catalytic reactors. The membranes have an oxidation and a reduction surface and comprise a single-phase mixed metal oxide material of the formula: AB.sub.1-x B'.sub.x O.sub.3-y wherein A is selected from Ca, Sr or Ba ions; B is selected from Ce, Tb, Pr, or Th ions; B' is selected from Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Al, Ga, or In ions, or combinations thereof; and x is greater than or equal to 0.02 and less than or equal to 0.5. The membranes can further comprise a catalyst on either the oxidation or reduction surface, or both. Membranes include those which are fabricated-by combining powders of metal oxides or metal carbonates of metal A ion, metal B ion and metal B' ion such that the stoichiometric ratio A:B:B' is 1:1-x:x where 0.2.ltoreq..times.0.5, repeatedly calcining and milling the combined powders until a single-phase material is obtained and pressing and sintering the singlephase material to obtain a membrane.

Effect of Operating Parameters on a Dual-Stage High Velocity Oxygen Fuel Thermal Spray System

NASA Astrophysics Data System (ADS)

Khan, Mohammed N.; Shamim, Tariq

2014-08-01

High velocity oxygen fuel (HVOF) thermal spray systems are being used to apply coatings to prevent surface degradation. The coatings of temperature sensitive materials such as titanium and copper, which have very low melting points, cannot be applied using a single-stage HVOF system. Therefore, a dual-stage HVOF system has been introduced and modeled computationally. The dual-spray system provides an easy control of particle oxidation by introducing a mixing chamber. In addition to the materials being sprayed, the thermal spray coating quality depends to a large extent on flow behavior of reacting gases and the particle dynamics. The present study investigates the influence of various operating parameters on the performance of a dual-stage thermal spray gun. The objective is to develop a predictive understanding of various parameters. The gas flow field and the free jet are modeled by considering the conservation of mass, momentum, and energy with the turbulence and the equilibrium combustion sub models. The particle phase is decoupled from the gas phase due to very low particle volume fractions. The results demonstrate the advantage of a dual-stage system over a single-stage system especially for the deposition of temperature sensitive materials.

Laser beam joining of material combinations for automotive applications

NASA Astrophysics Data System (ADS)

Schubert, Emil; Zerner, Ingo; Sepold, Gerd

1997-08-01

An ideal material for automotive applications would combine the following properties: high corrosion resistance, high strength, high stiffness and not at least a low material price. Today a single material is not able to meet all these requirements. Therefore, in the future different materials will be placed where they meet the requirements best. The result of this consideration is a car body with many different alloys and metals, which have to be joined to one another. BIAS is working on the development of laser based joining technologies for different material combinations, especially for thin sheets used in automotive applications. One result of the research is a joining technology for an aluminum-steel-joint. Using a Nd:YAG laser the problem of brittle intermetallic phases between these materials was overcome. Using suitable temperature-time cycles, elected by a FEM-simulation, the thickness of intermetallic phases was kept below 10 micrometers . This technology was also applied to coated steels, which were joined with different aluminum alloys. Further it is demonstrated that titanium alloys, e.g. used for racing cars, can also be joined with aluminum alloys.

Predicting New Materials for Hydrogen Storage Application

PubMed Central

Vajeeston, Ponniah; Ravindran, Ponniah; Fjellvåg, Helmer

2009-01-01

Knowledge about the ground-state crystal structure is a prerequisite for the rational understanding of solid-state properties of new materials. To act as an efficient energy carrier, hydrogen should be absorbed and desorbed in materials easily and in high quantities. Owing to the complexity in structural arrangements and difficulties involved in establishing hydrogen positions by x-ray diffraction methods, the structural information of hydrides are very limited compared to other classes of materials (like oxides, intermetallics, etc.). This can be overcome by conducting computational simulations combined with selected experimental study which can save environment, money, and man power. The predicting capability of first-principles density functional theory (DFT) is already well recognized and in many cases structural and thermodynamic properties of single/multi component system are predicted. This review will focus on possible new classes of materials those have high hydrogen content, demonstrate the ability of DFT to predict crystal structure, and search for potential meta-stable phases. Stabilization of such meta-stable phases is also discussed.

Microstructure and mechanical properties of a single crystal NiAl alloy with Zr or Hf rich G-phase precipitates

NASA Technical Reports Server (NTRS)

Locci, I. E.; Noebe, R. D.; Bowman, R. R.; Miner, R. V.; Nathal, M. V.; Darolia, R.

1991-01-01

The possibility of producing NiAl reinforced with the G-phase (Ni16X6Si7), where X is Zr or Hf, has been investigated. The microstructure of these NiAl alloys have been characterized in the as-cast and annealed conditions. The G-phases are present as fine cuboidal precipitates (10 to 40 nm) and have lattice parameters almost four times that of NiAl. They are coherent with the matrix and fairly resistant to coarsening during annealing heat treatments. Segregation and nonuniform precipitate distribution observed in as-cast materials were eliminated by homogenization at temperatures near 1600 K. Slow cooling from these temperatures resulted in large plate shaped precipitates, denuded zones, and a loss of coherency in some of the large particles. Faster cooling produced a homogeneous fine distribution of cuboidal G-phase particles in the matrix. Preliminary mechanical properties for the Zr-doped alloy are presented and compared to binary single crystal NiAl. The presence of these precipitates appears to have an important strengthening effect at temperatures not less than 1000 K compared to binary NiAl single crystals.

Optimization of single crystals of solid electrolytes with tysonite-type structure (LaF3) for conductivity at 293 K: 2. Nonstoichiometric phases R 1- y M y F3- y ( R = La-Lu, Y; M = Sr, Ba)

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Sobolev, B. P.; Krivandina, E. A.; Zhmurova, Z. I.

2015-01-01

Single crystals of fluorine-conducting solid electrolytes R 1 - y Sr y F3 - y and R 1 - y Ba y F3 - y ( R = La-Lu, Y) with a tysonite-type structure (LaF3) have been optimized for room-temperature conductivity σ293 K. The optimization is based on high-temperature measurements of σ( T) in two-component nonstoichiometric phases R 1 - y M y F3 - y ( M = Sr, Ba) as a function of the MF2 content. Optimization for thermal stability is based on studying the phase diagrams of MF2- RF3 systems ( M = Sr, Ba) and the behavior of nonstoichiometric crystals upon heating when measuring temperature dependences σ( T). Single crystals of many studied R 1 - y Sr y F3 - y and R 1 - y Ba y F3 - y phases have σ293 K values large enough to use these materials in solid-state electrochemical devices (chemical sensors, fluorine-ion batteries, accumulators, etc.) operating at room temperature.

Comparison of Single-Phase and Two-Phase Composite Thermal Barrier Coatings with Equal Total Rare-Earth Content

NASA Astrophysics Data System (ADS)

Rai, Amarendra K.; Schmitt, Michael P.; Dorfman, Mitchell R.; Zhu, Dongming; Wolfe, Douglas E.

2018-04-01

Rare-earth zirconates have been the focus of advanced thermal barrier coating research for nearly two decades; however, their lack of toughness prevents a wide-scale adoption due to lack of erosion and thermal cyclic durability. There are generally two methods of improving toughness: intrinsic modification of the coating chemistry and extrinsic modification of the coating structure. This study compares the efficacy of these two methods for a similar overall rare-earth content via the air plasma spray process. The extrinsically toughened coatings were comprised of a two-phase composite containing 30 wt.% Gd2Zr2O7 (GZO) combined with 70 wt.% of a tougher t' low-k material (ZrO2-2Y2O3-1Gd2O3-1Yb2O3; mol.%), while a single-phase fluorite with the overall rare-earth content equivalent to the two-phase composite (13 mol.% rare-earth) was utilized to explore intrinsically toughened concept. The coatings were then characterized via x-ray diffraction, energy-dispersive spectroscopy, and scanning electron microscopy, and their performance was evaluated via erosion, thermal conductivity, thermal annealing (500 h), and thermal cycling. It was shown that the extrinsic method provided an improved erosion and thermal conductivity response over the single phase, but at the expense of high-temperature stability and cyclic life.

Ultrasound beam transmission using a discretely orthogonal Gaussian aperture basis

NASA Astrophysics Data System (ADS)

Roberts, R. A.

2018-04-01

Work is reported on development of a computational model for ultrasound beam transmission at an arbitrary geometry transmission interface for generally anisotropic materials. The work addresses problems encountered when the fundamental assumptions of ray theory do not hold, thereby introducing errors into ray-theory-based transmission models. Specifically, problems occur when the asymptotic integral analysis underlying ray theory encounters multiple stationary phase points in close proximity, due to focusing caused by concavity on either the entry surface or a material slowness surface. The approach presented here projects integrands over both the transducer aperture and the entry surface beam footprint onto a Gaussian-derived basis set, thereby distributing the integral over a summation of second-order phase integrals which are amenable to single stationary phase point analysis. Significantly, convergence is assured provided a sufficiently fine distribution of basis functions is used.

Nial and Nial-Based Composites Directionally Solidified by a Containerless Zone Process. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Joslin, Steven M.

1995-01-01

A containerless electromagnetically levitated zone (CELZ) process has been used to directionally solidify NiAl and NiAl-based composites. The CELZ processing results in single crystal NiAl (HP-NiAl) having higher purity than commercially pure NiAl grown by a modified Bridgman process (CP-NiAl). The mechanical properties, specifically fracture toughness and creep strength, of the HP-NiAl are superior to binary CP-NiAl and are used as a base-line for comparison with the composite materials subsequently studied. Two-phase composite materials (NiAl-based eutectic alloys) show improvement in room temperature fracture toughness and 1200 to 1400 K creep strength over that of binary HP-NiAl. Metallic phase reinforcements produce the greatest improvement in fracture toughness, while intermetallic reinforcement produces the largest improvement in high temperature strength. Three-phase eutectic alloys and composite materials were identified and directionally solidified with the intent to combine the improvements observed in the two-phase alloys into one alloy. The room temperature fracture toughness and high temperature strength (in air) serve as the basis for comparison between all of the alloys. Finally, the composite materials are discussed in terms of dominant fracture mechanism observed by fractography.

High T c layered ferrielectric crystals by coherent spinodal decomposition

DOE PAGES

Susner, Michael A.; Belianinov, Alex; Borisevich, Albina Y.; ...

2015-11-13

Research in the rapidly-developing field of 2D-electronic materials has thus far been focused on metallic and semiconducting materials. However, complementary dielectric materials such as non-linear dielectrics are needed to enable realistic device architectures. Candidate materials require tunable dielectric properties and pathways for heterostructure assembly. Here we report on a family of cation-deficient transition metal thiophosphates whose unique chemistry makes them a viable prospect for these applications. In these materials, naturally occurring ferrielectric heterostructures composed of centrosymmetric In 4/3P 2S 6 and ferrielectrically-active CuInP 2S 6 are realized by controllable chemical phase separation in van-der-Waals bonded single crystals. CuInP 2S 6more » by itself is a layered ferrielectric with Tc just over room-temperature which rapidly decreases with homogenous doping. Surprisingly, in our composite materials, the ferrielectric Tc of the polar CuInP 2S 6 phase increases. This effect is enabled by unique spinodal decomposition that retains the overall van-der-Waals layered morphology of the crystal, but chemically separates CuInP 2S 6 and In 4/3P 2S 6 within each layer. The average spatial periodicity of the distinct chemical phases can be finely controlled by altering the composition and/or synthesis conditions. One intriguing prospect for such layered spinodal alloys is large volume synthesis of 2D in-plane heterostructures with periodically alternating polar and non-polar phases.« less

Analyser-based mammography using single-image reconstruction.

PubMed

Briedis, Dahliyani; Siu, Karen K W; Paganin, David M; Pavlov, Konstantin M; Lewis, Rob A

2005-08-07

We implement an algorithm that is able to decode a single analyser-based x-ray phase-contrast image of a sample, converting it into an equivalent conventional absorption-contrast radiograph. The algorithm assumes the projection approximation for x-ray propagation in a single-material object embedded in a substrate of approximately uniform thickness. Unlike the phase-contrast images, which have both directional bias and a bias towards edges present in the sample, the reconstructed images are directly interpretable in terms of the projected absorption coefficient of the sample. The technique was applied to a Leeds TOR[MAM] phantom, which is designed to test mammogram quality by the inclusion of simulated microcalcifications, filaments and circular discs. This phantom was imaged at varying doses using three modalities: analyser-based synchrotron phase-contrast images converted to equivalent absorption radiographs using our algorithm, slot-scanned synchrotron imaging and imaging using a conventional mammography unit. Features in the resulting images were then assigned a quality score by volunteers. The single-image reconstruction method achieved higher scores at equivalent and lower doses than the conventional mammography images, but no improvement of visualization of the simulated microcalcifications, and some degradation in image quality at reduced doses for filament features.

Recent developments in melt processed Gd-123 and MgB2 materials at RTRI

NASA Astrophysics Data System (ADS)

Muralidhar, M.; Fukumoto, Y.; Ishihara, A.; Suzuki, K.; Tomita, M.; Koblischka, M. R.; Yamamoto, A.; Kishio, K.

2014-01-01

In this contribution we will report on the current status, recent developments in GdBa2Cu3Oy "Gd-123" and MgB2 material processing, characterization, and applications at the Railway Technical Research Institute (RTRI). Batch-processing of Gd-123 bulk material grown in air was performed using novel thin film Nd-123 seeds grown on MgO crystals. In this way, we are able to fabricate materials with good quality, and uniform performance. We examined the technology of the uniform performance of the large 45 mm diameter, single grain Gd-123 bulks for use in application of NMR. For this purpose, four 5 mm thick pieces are cut vertically from a single grain Gd-123 material and the magnetic field distribution is measured using a scanning hall sensor. We found that all four pieces are single domain and exhibit a quite uniform field distribution. Furthermore, the batch-processed bulk materials are used for the construction of a chilled Maglev vehicle. On the other hand, to optimize the trapped field performance of bulk MgB2 material, several samples were prepared by solid state reaction at different temperatures ranging from 750 to 950 °C in pure argon atmosphere. X-ray diffraction results indicated that single phase and homogenous MgB2 bulks are produced when sintering them around 775 °C. Further, atomic force microscopy (AFM) and scanning electron microscopy (SEM) indicated that an uniform grain size results by controlling the processing temperature. So, higher trapped fields can be achieved in sintered MgB2 material.

Single Layer Permittivity Extraction from Multilayered Biaxial Anisotropic Media Using a Rectangular Waveguide

DTIC Science & Technology

Electromagnetic characterization of layered biaxial media is a critical step in the design of modern low observable (LO) coatings, and with the...the flexibility they provide for control over magnitude, phase, and polarization of the material systems response to interrogating electromagnetic (EM

Semiconductor-to-metal phase change in MoTe2 layers (Conference Presentation)

NASA Astrophysics Data System (ADS)

Davydov, Albert V.; Krylyuk, Sergiy; Kalish, Irina; Meshi, Louisa; Beams, Ryan; Kalanyan, Berc; Sharma, Deepak K.; Beck, Megan; Bergeron, Hadallia; Hersam, Mark C.

2016-09-01

Molybdenum ditelluride (MoTe2), which can exist in a semiconducting prismatic hexagonal (2H) or a metallic distorted octahedral (1T') phases, is one of the very few materials that exhibit metal-semiconductor transition. Temperature-driven 2H - 1T' phase transition in bulk MoTe2 occurs at high temperatures (above 900 °C) and it is usually accompanied by Te loss. The latter can exacerbate the control over reversibility of the phase transition. Here, we study effects of high-temperature annealing on phase transition in MoTe2 single crystals. First, MoTe2 were grown in sealed evacuated quartz ampoules from polycrystalline MoTe2 powder in an iodine-assisted chemical vapor transport process at 1000 °C. The 2H and 1T' phases were stabilized by controlling the cooling rate after the growth. In particular, slow cooling at 10 °C/h rate yielded the 2H phase whereas the 1T' phase was stabilized by ice-water quenching. Next, the phase conversion was achieved by annealing MoTe2 single crystals in vacuum-sealed ampoules at 1000 °C with or without additional poly-MoTe2 powder followed by fast or slow cooling. Similarly to the CVT growth, slow cooling and quenching consistently produced 2H and 1T' phases, respectively, regardless of the initial MoTe2 crystal structure. We will discuss structural and optical properties of the as-grown and phase-converted MoTe2 single crystals using TEM, SEM/EDS, XRD, XPS and Raman. Electrical characteristics of two-terminal devices made from metallic 1T' and bottom-gated FETs made from 2H exfoliated crystals will also be presented.

Shape-controlled synthesis and influence of W doping and oxygen nonstoichiometry on the phase transition of VO2

PubMed Central

Chen, Ru; Miao, Lei; Liu, Chengyan; Zhou, Jianhua; Cheng, Haoliang; Asaka, Toru; Iwamoto, Yuji; Tanemura, Sakae

2015-01-01

Monoclinic VO2(M) in nanostructure is a prototype material for interpreting correlation effects in solids with fully reversible phase transition and for the advanced applications to smart devices. Here, we report a facile one-step hydrothermal method for the controlled growth of single crystalline VO2(M/R) nanorods. Through tuning the hydrothermal temperature, duration of the hydrothermal time and W-doped level, single crystalline VO2(M/R) nanorods with controlled aspect ratio can be synthesized in large quantities, and the crucial parameter for the shape-controlled synthesis is the W-doped content. The dopant greatly promotes the preferential growth of (110) to form pure phase VO2(R) nanorods with high aspect ratio for the W-doped level = 2.0 at% sample. The shape-controlled process of VO2(M/R) nanorods upon W-doping are systematically studied. Moreover, the phase transition temperature (Tc) of VO2 depending on oxygen nonstoichiometry is investigated in detail. PMID:26373612

Anomalous expansion of the copper-apical-oxygen distance in superconducting cuprate bilayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Hua; Yacoby, Yizhak; Butko, Vladimir Y.

2010-08-27

We have introduced an improved x-ray phase-retrieval method with unprecedented speed of convergence and precision, and used it to determine with sub-Angstrom resolution the complete atomic structure of epitaxial La{sub 2-x}Sr{sub x}CuO{sub 4} ultrathin films. We focus on superconducting heterostructures built from constituent materials that are not superconducting in bulk samples. Single-phase metallic or superconducting films are also studied for comparison. The results show that this phase-retrieval diffraction method enables accurate measurement of structural modifications in near-surface layers, which may be critically important for elucidation of surface-sensitive experiments. Specifically we find that, while the copper-apical-oxygen distance remains approximately constant inmore » single-phase films, it shows a dramatic increase from the metallic-insulating interface of the bilayer towards the surface by as much as 0.45 {angstrom}. The apical-oxygen displacement is known to have a profound effect on the superconducting transition temperature.« less

PMN-PT Single-Crystal High-Frequency Kerfless Phased Array

PubMed Central

Chen, Ruimin; Cabrera-Munoz, Nestor E.; Lam, Kwok Ho; Hsu, Hsiu-sheng; Zheng, Fan; Zhou, Qifa; Shung, K. Kirk

2015-01-01

This paper reports the design, fabrication, and characterization of a miniature high-frequency kerfless phased array prepared from a PMN-PT single crystal for forward-looking intravascular or endoscopic imaging applications. After lapping down to around 40 μm, the PMN-PT material was utilized to fabricate 32-element kerfless phased arrays using micromachining techniques. The aperture size of the active area was only 1.0 × 1.0 mm. The measured results showed that the array had a center frequency of 40 MHz, a bandwidth of 34% at −6 dB with a polymer matching layer, and an insertion loss of 20 dB at the center frequency. Phantom images were acquired and compared with simulated images. The results suggest that the feasibility of developing a phased array mounted at the tip of a forward-looking intravascular catheter or endoscope. The fabricated array exhibits much higher sensitivity than PZT ceramic-based arrays and demonstrates that PMN-PT is well suited for this application. PMID:24859667

Large piezoelectricity in electric-field modified single crystals of SrTiO3

NASA Astrophysics Data System (ADS)

Khanbabaee, B.; Mehner, E.; Richter, C.; Hanzig, J.; Zschornak, M.; Pietsch, U.; Stöcker, H.; Leisegang, T.; Meyer, D. C.; Gorfman, S.

2016-11-01

Defect engineering is an effective and powerful tool to control the existing material properties and produce completely new ones, which are symmetry-forbidden in a defect-free crystal. For example, the application of a static electric field to a single crystal of SrTiO3 forms a strained near-surface layer through the migration of oxygen vacancies out of the area beneath the positively charged electrode. While it was previously shown that this near-surface phase holds pyroelectric properties, which are symmetry-forbidden in centrosymmetric bulk SrTiO3, this paper reports that the same phase is strongly piezoelectric. We demonstrate the piezoelectricity of this phase through stroboscopic time-resolved X-ray diffraction under alternating electric field and show that the effective piezoelectric coefficient d33 ranges between 60 and 100 pC/N. The possible atomistic origins of the piezoelectric activity are discussed as a coupling between the electrostrictive effect and spontaneous polarization of this near-surface phase.

Microstructure and Phase Analysis in Mn-Al and Zr-Co Permanent Magnets

NASA Astrophysics Data System (ADS)

Lucis, Michael J.

In America's search for energy independence, the development of rare-earth free permanent magnets is one hurdle that still stands in the way. Permanent magnet motors provide a higher efficiency than induction motors in applications such as hybrid vehicles and wind turbines. This thesis investigates the ability of two materials, Mn-Al and Zr-Co, to fill this need for a permanent magnet material whose components are readily available within the U.S. and whose supply chain is more stable than that of the rare-earth materials. This thesis focuses on the creation and optimization of these two materials to later be used as the hard phase in nanocomposites with high energy products (greater than 10 MGOe). Mn-Al is capable of forming the pure L10 structure at a composition of Mn54Al43C3. When Mn is replaced by Fe or Cu using the formula Mn48Al43C3T6 the anisotropy constant is lowered from 1.3·107 ergs/cm3 to 1.0·107 ergs/cm3 and 0.8·10 7 ergs/cm3 respectively. Previous studies have reported a loss in magnetization in Mn-Al alloys during mechanical milling. The reason for this loss in magnetization was investigated and found to be due to the formation of the equilibrium beta-Mn phase of the composition Mn3Al2 and not due to oxidation or site disorder. It was also shown that fully dense Mn-Al permanent magnets can be created at hot pressing temperatures at or above 700°C and that the epsilon-phase to tau-phase transition and consolidation can be combined into a single processing step. The addition of small amounts of Cu to the alloy, 3% atomic, can increase the compaction density allowing high densities to be achieved at lower pressing temperatures. While the structure is still under debate, alloys at the composition Zr2Co11 in the Zr-Co system have been shown to have hard magnetic properties. This thesis shows that multiple structures exist at this Zr2Co11 composition and that altering the cooling rate during solidification of the alloy affects the ratio of the phase composition and therefore affects the magnetic properties. Phase diagrams for the Zr-Co system show that the Zr2Co11 phase is stable to a temperature of 1272°C, at which point the Zr6Co23 phase is the most favorable. However, this thesis shows that the Zr6Co23 phase forms at room temperature during high energy mechanical milling and at annealing temperatures as low as 600°C. Since high energy mechanical milling was not a potential method to creating single crystalline particles, hydrogen embrittlement was investigated. Hydrochloric acid was used to induce hydrogen embrittlement in the Zr2Co11 alloy, modifying the fracture characteristics of the alloy causing it to occur primarily along grain boundaries resulting in single crystalline particles with remanent magnetization enhancement.

Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy

DOE PAGES

Santodonato, Louis J.; Zhang, Yang; Feygenson, Mikhail; ...

2015-01-20

The alloy-design strategy of combining multiple elements in near-equimolar ratios has shown great potential for producing exceptional engineering materials, often known as “high-entropy alloys”. Understanding the elemental distribution, and, thus, the evolution of the configurational entropy during solidification, is undertaken in the present study using the Al 1.3CoCrCuFeNi model alloy. Here we show that even when the material undergoes elemental segregation, precipitation, chemical ordering, and spinodal decomposition, a significant amount of disorder remains, due to the distributions of multiple elements in the major phases. In addition, the results suggest that the high-entropy-alloy-design strategy may be applied to a wide rangemore » of complex materials, and should not be limited to the goal of creating single-phase solid solutions.« less

X-ray induced damage observations in ZERODUR mirrors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takacs, P.Z.; Furenlid, K.; Furenlid, L.

1997-07-01

Catastrophic damage has been observed in some ZERODUR mirrors used as first mirrors in two beam lines at the National Synchrotron Light Source (NSLS). Despite the high reflectivity of the coatings used on these mirrors, a significant flux of high energy photons penetrates below the coating and is absorbed in the substrate. Although model calculations indicate that the local temperature does not increase significantly, the authors suspect that over long time periods the absorbed flux produces structural changes in the material, leading to a build-up of surface stress, gross figure changes, and growth of fractures. These changes are probably relatedmore » to the nature of the two-phase glass-ceramic composition of the ZERODUR material. Metal mirrors and single-phase materials do not exhibit such catastrophic damage under similar exposure conditions.« less

Scale-dependent effects on wave propagation in magnetically affected single/double-layered compositionally graded nanosize beams

NASA Astrophysics Data System (ADS)

Ebrahimi, Farzad; Barati, Mohammad Reza

2018-04-01

This article deals with the wave propagation analysis of single/double layered functionally graded (FG) size-dependent nanobeams in elastic medium and subjected to a longitudinal magnetic field employing nonlocal elasticity theory. Material properties of nanobeam change gradually according to the sigmoid function. Applying an analytical solution, the acoustical and optical dispersion relations are explored for various wave number, nonlocality parameter, material composition, elastic foundation constants, and magnetic field intensity. It is found that frequency and phase velocity of waves propagating in S-FGM nanobeam are significantly affected by these parameters. Also, presence of cut-off and escape frequencies in wave propagation analysis of embedded S-FGM nanobeams is investigated.

Surface plasmon resonances in liquid metal nanoparticles

NASA Astrophysics Data System (ADS)

Ershov, A. E.; Gerasimov, V. S.; Gavrilyuk, A. P.; Karpov, S. V.

2017-06-01

We have shown significant suppression of resonant properties of metallic nanoparticles at the surface plasmon frequency during the phase transition "solid-liquid" in the basic materials of nanoplasmonics (Ag, Au). Using experimental values of the optical constants of liquid and solid metals, we have calculated nanoparticle plasmonic absorption spectra. The effect was demonstrated for single particles, dimers and trimers, as well as for the large multiparticle colloidal aggregates. Experimental verification was performed for single Au nanoparticles heated to the melting temperature and above up to full suppression of the surface plasmon resonance. It is emphasized that this effect may underlie the nonlinear optical response of composite materials containing plasmonic nanoparticles and their aggregates.

Stardust impact analogs: Resolving pre- and postimpact mineralogy in Stardust Al foils

NASA Astrophysics Data System (ADS)

Wozniakiewicz, Penelope J.; Ishii, Hope A.; Kearsley, Anton T.; Burchell, Mark J.; Bradley, John P.; Price, Mark C.; Teslich, Nick; Lee, Martin R.; Cole, Mike J.

2012-04-01

The grains returned by NASA's Stardust mission from comet 81P/Wild 2 represent a valuable sample set that is significantly advancing our understanding of small solar system bodies. However, the grains were captured via impact at ˜6.1 km s-1 and have experienced pressures and temperatures that caused alteration. To ensure correct interpretations of comet 81P/Wild 2 mineralogy, and therefore preaccretional or parent body processes, an understanding of the effects of capture is required. Using a two-stage light-gas gun, we recreated Stardust encounter conditions and generated a series of impact analogs for a range of minerals of cometary relevance into flight spare Al foils. Through analyses of both preimpact projectiles and postimpact analogs by transmission electron microscopy, we explore the impact processes occurring during capture and distinguish between those materials inherent to the impactor and those that are the product of capture. We review existing and present additional data on olivine, diopside, pyrrhotite, and pentlandite. We find that surviving crystalline material is observed in most single grain impactor residues. However, none is found in that of a relatively monodisperse aggregate. A variety of impact-generated components are observed in all samples. Al incorporation into melt-derived phases allows differentiation between melt and shock-induced phases. In single grain impactor residues, impact-generated phases largely retain original (nonvolatile) major element ratios. We conclude that both surviving and impact-generated phases in residues of single grain impactors provide valuable information regarding the mineralogy of the impacting grain whilst further studies are required to fully understand aggregate impacts and the role of subgrain interactions during impact.

Low frequency piezoresonance defined dynamic control of terahertz wave propagation

NASA Astrophysics Data System (ADS)

Dutta, Moumita; Betal, Soutik; Peralta, Xomalin G.; Bhalla, Amar S.; Guo, Ruyan

2016-11-01

Phase modulators are one of the key components of many applications in electromagnetic and opto-electric wave propagations. Phase-shifters play an integral role in communications, imaging and in coherent material excitations. In order to realize the terahertz (THz) electromagnetic spectrum as a fully-functional bandwidth, the development of a family of efficient THz phase modulators is needed. Although there have been quite a few attempts to implement THz phase modulators based on quantum-well structures, liquid crystals, or meta-materials, significantly improved sensitivity and dynamic control for phase modulation, as we believe can be enabled by piezoelectric-resonance devices, is yet to be investigated. In this article we provide an experimental demonstration of phase modulation of THz beam by operating a ferroelectric single crystal LiNbO3 film device at the piezo-resonance. The piezo-resonance, excited by an external a.c. electric field, develops a coupling between electromagnetic and lattice-wave and this coupling governs the wave propagation of the incident THz beam by modulating its phase transfer function. We report the understanding developed in this work can facilitate the design and fabrication of a family of resonance-defined highly sensitive and extremely low energy sub-millimeter wave sensors and modulators.

Low frequency piezoresonance defined dynamic control of terahertz wave propagation.

PubMed

Dutta, Moumita; Betal, Soutik; Peralta, Xomalin G; Bhalla, Amar S; Guo, Ruyan

2016-11-30

Phase modulators are one of the key components of many applications in electromagnetic and opto-electric wave propagations. Phase-shifters play an integral role in communications, imaging and in coherent material excitations. In order to realize the terahertz (THz) electromagnetic spectrum as a fully-functional bandwidth, the development of a family of efficient THz phase modulators is needed. Although there have been quite a few attempts to implement THz phase modulators based on quantum-well structures, liquid crystals, or meta-materials, significantly improved sensitivity and dynamic control for phase modulation, as we believe can be enabled by piezoelectric-resonance devices, is yet to be investigated. In this article we provide an experimental demonstration of phase modulation of THz beam by operating a ferroelectric single crystal LiNbO 3 film device at the piezo-resonance. The piezo-resonance, excited by an external a.c. electric field, develops a coupling between electromagnetic and lattice-wave and this coupling governs the wave propagation of the incident THz beam by modulating its phase transfer function. We report the understanding developed in this work can facilitate the design and fabrication of a family of resonance-defined highly sensitive and extremely low energy sub-millimeter wave sensors and modulators.

Phase field benchmark problems for dendritic growth and linear elasticity

DOE PAGES

Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.; ...

2018-03-26

We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

Parametric Analysis of Cyclic Phase Change and Energy Storage in Solar Heat Receivers

NASA Technical Reports Server (NTRS)

Hall, Carsie A., III; Glakpe, Emmanuel K.; Cannon, Joseph N.; Kerslake, Thomas W.

1997-01-01

A parametric study on cyclic melting and freezing of an encapsulated phase change material (PCM), integrated into a solar heat receiver, has been performed. The cyclic nature of the present melt/freeze problem is relevant to latent heat thermal energy storage (LHTES) systems used to power solar Brayton engines in microgravity environments. Specifically, a physical and numerical model of the solar heat receiver component of NASA Lewis Research Center's Ground Test Demonstration (GTD) project was developed. Multi-conjugate effects such as the convective fluid flow of a low-Prandtl-number fluid, coupled with thermal conduction in the phase change material, containment tube and working fluid conduit were accounted for in the model. A single-band thermal radiation model was also included to quantify reradiative energy exchange inside the receiver and losses through the aperture. The eutectic LiF-CaF2 was used as the phase change material (PCM) and a mixture of He/Xe was used as the working fluid coolant. A modified version of the computer code HOTTube was used to generate results in the two-phase regime. Results indicate that parametric changes in receiver gas inlet temperature and receiver heat input effects higher sensitivity to changes in receiver gas exit temperatures.

Modeling Cyclic Phase Change and Energy Storage in Solar Heat Receivers

NASA Technical Reports Server (NTRS)

Hall, Carsie A., III; Glakpe, Emmanuel K.; Cannon, Joseph N.; Kerslake, Thomas W.

1997-01-01

Numerical results pertaining to cyclic melting and freezing of an encapsulated phase change material (PCM), integrated into a solar heat receiver, have been reported. The cyclic nature of the present melt/freeze problem is relevant to latent heat thermal energy storage (LHTES) systems used to power solar Brayton engines in microgravity environments. Specifically, a physical and numerical model of the solar heat receiver component of NASA Lewis Research Center's Ground Test Demonstration (GTD) project was developed and results compared with available experimental data. Multi-conjugate effects such as the convective fluid flow of a low-Prandtl-number fluid, coupled with thermal conduction in the phase change material, containment tube and working fluid conduit were accounted for in the model. A single-band thermal radiation model was also included to quantify reradiative energy exchange inside the receiver and losses through the aperture. The eutectic LiF-CaF2 was used as the phase change material (PCM) and a mixture of He/Xe was used as the working fluid coolant. A modified version of the computer code HOTTube was used to generate results for comparisons with GTD data for both the subcooled and two-phase regimes. While qualitative trends were in close agreement for the balanced orbit modes, excellent quantitative agreement was observed for steady-state modes.

Phase field benchmark problems for dendritic growth and linear elasticity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.

We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

Heat transfer studies of waste repository design. Progress report, [October 1, 1993--December 31, 1993

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boehm, R.F.

A study of the phase change phenomena in porous media using Christiansen filters continues in order to determine the experimental conditions most favorable to the use of this method. A calibration setup has been finished. Determination of the wavelength corresponding to the equality of the refractive indices varies with temperature is going to be carried out later. The dispersion curves of the solid and liquid phases constituting a transparent saturated porous medium generally have different slopes. It is thus impossible to achieve the equality of the refractive indices for all wavelengths simultaneously. For a given temperature, the dispersion curves intersectmore » at a point corresponding to a single wavelength. From our investigation, we have found that we need to change the liquid phase material, ethyl salicylate (HOC{sub 6}H{sub 4}COOC{sub 2}H{sub 5}), that we have proposed before. This is because the boiling point of ethyl salicylate is too high for our purposes (about 233{degrees}C). Therefore, it is not a suitable material to do the phase change study in the Christiansen filters. A suitable liquid phase organic chemical material for our research must fit the criteria given in this paper.« less

Dynamical Reduction of the Dimensionality of Exchange Interactions and the "Spin-Liquid" Phase of κ-(BEDT-TTF)_{2}X.

PubMed

Powell, B J; Kenny, E P; Merino, J

2017-08-25

We show that the anisotropy of the effective spin model for the dimer Mott insulator phase of κ-(BEDT-TTF)_{2}X salts is dramatically different from that of the underlying tight-binding model. Intradimer quantum interference results in a model of coupled spin chains, where frustrated interchain interactions suppress long-range magnetic order. Thus, we argue, the "spin liquid" phase observed in some of these materials is a remnant of the Tomonaga-Luttinger physics of a single chain. This is consistent with previous experiments and resolves some outstanding puzzles.

Modeling of Nickel Hydroxide Electrode Containing Multiple Phases

NASA Technical Reports Server (NTRS)

Timmerman, P.; Ratnakumar, B. V.; Di Stefano, S.

1996-01-01

Mathematical models of alkaline rechargeable nickel cell systems (e.g., Ni-Cd, Ni-H(sub 2) and Ni-MH) have so far been developed based on the assumption that the active material at Ni electrode exists primarily in a single phase as Beta-NiOOH -- Beta-Ni(OH)(sub 2), despite enough experimental evidence for the second phase, i.e., Gamma-NiOOH -- Alpha-Ni(OH)(sub 2), especially under conditions of extended coverage. Here, we have incorporated the additional couple of Gamma-NiOOH -- Alpha-Ni(OH)(sub 2) into the modeling of the Ni electrode.

Electrical resistance of single-crystal magnetite (Fe 3 O 4 ) under quasi-hydrostatic pressures up to 100 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muramatsu, Takaki; Gasparov, Lev V.; Berger, Helmuth

2016-04-07

We measured the pressure dependence of electrical resistance of single-crystal magnetite (Fe 3O 4) under quasi-hydrostatic conditions to 100 GPa using low-temperature, megabar diamond-anvil cell techniques in order to gain insight into the anomalous behavior of this material that has been reported over the years in different high-pressure experiments. The measurements under nearly hydrostatic pressure conditions allowed us to detect the clear Verwey transition and the high-pressure structural phase. Furthermore, the appearance of a metallic ground state after the suppression of the Verwey transition around 20 GPa and the concomitant enhancement of electrical resistance caused by the structural transformation tomore » the high-pressure phase form reentrant semiconducting-metallic-semiconducting behavior, though the appearance of the metallic phase is highly sensitive to stress conditions and details of the measurement technique.« less

Calorimetric determination of the magnetic phase diagram of underdoped ortho II YBa2Cu3O6.54 single crystals

PubMed Central

Marcenat, C.; Demuer, A.; Beauvois, K.; Michon, B.; Grockowiak, A.; Liang, R.; Hardy, W.; Bonn, D. A.; Klein, T.

2015-01-01

The recent discovery of a charge order in underdoped YBa2Cu3Oy raised the question of the interplay between superconductivity and this competing phase. Understanding the normal state of high-temperature superconductors is now an essential step towards the description of the pairing mechanism in those materials and determining the upper critical field is therefore of fundamental importance. We present here a calorimetric determination of the field–temperature phase diagram in underdoped YBa2Cu3Oy single crystals. We show that the specific heat saturates in high magnetic fields. This saturation is consistent with a normal state without any significant superconducting contribution and a total Sommerfeld coefficient γN∼6.5±1.5 mJ mol−1 K−2 putting strong constraints on the theoretical models for the Fermi surface reconstruction. PMID:26294047

Graphical method to design multilayer phase retarders.

PubMed

Apfel, J H

1981-03-15

When multilayer reflectors are used at nonnormal incidence, the two planes of polarization generally have different phase shifts. This difference, known as phase retardance, depends on the multilayer design, the incidence angle, and the wavelength. Heretofore, the design of reflectors with specific phase retardance has been carried out by computer optimization except for the case of a single layer on a metal substrate. A graph of phase retardance D vs the average phase shift A as a function of layer thickness provides a means for visualization that is useful in reflector designs. A D-A graph predicts the phase properties of a reflector as a function of the index and thickness of an added layer. Graphs of phase retardance vs average phase for two different materials can be superposed to predict the composite performance of a multilayer reflector. This graphical technique is employed to design and analyze reflectors with specified phase retardance.

Two-dimensional solid-phase extraction strategy for the selective enrichment of aminoglycosides in milk.

PubMed

Shen, Aijin; Wei, Jie; Yan, Jingyu; Jin, Gaowa; Ding, Junjie; Yang, Bingcheng; Guo, Zhimou; Zhang, Feifang; Liang, Xinmiao

2017-03-01

An orthogonal two-dimensional solid-phase extraction strategy was established for the selective enrichment of three aminoglycosides including spectinomycin, streptomycin, and dihydrostreptomycin in milk. A reversed-phase liquid chromatography material (C 18 ) and a weak cation-exchange material (TGA) were integrated in a single solid-phase extraction cartridge. The feasibility of two-dimensional clean-up procedure that experienced two-step adsorption, two-step rinsing, and two-step elution was systematically investigated. Based on the orthogonality of reversed-phase and weak cation-exchange procedures, the two-dimensional solid-phase extraction strategy could minimize the interference from the hydrophobic matrix existing in traditional reversed-phase solid-phase extraction. In addition, high ionic strength in the extracts could be effectively removed before the second dimension of weak cation-exchange solid-phase extraction. Combined with liquid chromatography and tandem mass spectrometry, the optimized procedure was validated according to the European Union Commission directive 2002/657/EC. A good performance was achieved in terms of linearity, recovery, precision, decision limit, and detection capability in milk. Finally, the optimized two-dimensional clean-up procedure incorporated with liquid chromatography and tandem mass spectrometry was successfully applied to the rapid monitoring of aminoglycoside residues in milk. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

TOPOTACTIC LITHIUM INSERTION/EXTRACTION PROPERTIES OF A NEW POLYANION MATERIAL LiXCo2(MoO4)3 [0 ≤ X < 3] FOR RECHARGEABLE LITHIUM BATTERIES

NASA Astrophysics Data System (ADS)

Begam, K. M.; Michael, M. S.; Prabaharan, S. R. S.

An open framework type new material LixCo2(MoO4)3 [0 ≤ x < 3] possessing NASICON structure was identified as positive electrode material for use in 3V class lithium batteries. The new material was synthesized in its non-lithiated phase employing a metal/organic precursor method using a soft-combustion approach. We report here on the structural and electrochemical Li+ insertion/extraction properties of the resultant product. XRD revealed a single phase Co2(MoO4)3 powders and the annealed powders were found to contain ultrafine spherical grains. The redox behavior of the new material was demonstrated in lithium containing cells using the conventional wet cell configuration under Li+ aprotic organic electrolyte environment. The material offered a discharge capacity of 110 mAh/g between 3.5V and 1.5V during the first cycle and 50% of the initial capacity was retained at the end of 20th cycle.

Field-induced phase transitions and enhanced double negative electrocaloric effects in (Pb,La)(Zr,Sn,Ti)O3 antiferroelectric single crystal

NASA Astrophysics Data System (ADS)

Zhuo, Fangping; Li, Qiang; Qiao, Huimin; Yan, Qingfeng; Zhang, Yiling; Xi, Xiaoqing; Chu, Xiangcheng; Long, Xifa; Cao, Wenwu

2018-03-01

Field-induced phase transitions and electrocaloric effect have been studied in (Pb,La)(Zr,Sn,Ti)O3 (PLZST) antiferroelectric single crystal. Temperature dependent dielectric, Raman spectra, as well as in situ domain evolution demonstrated that the order of phase transitions during heating is in the sequence of orthorhombic antiferroelectric → tetragonal antiferroelectric → cubic paraelectric. Enhanced negative electrocaloric effect value of -3.6 °C and electrocaloric strength of 0.3 K mm/kV at 125 °C have been achieved. Double negative effects (-0.7 °C at 45 °C and -3.6 °C at 125 °C) and a relatively large positive effect (1 °C) near Curie temperature (190 °C) have been found in the PLZST single crystal. Moreover, microscopic dipoles and a phenomenological Landau-type model were employed to understand these unusual electrocaloric effects. Enhanced negative effect and the coexistence of both negative and positive effects in one material are promising for us to develop practical solid-state cooling devices with high efficiency.

Hexagonal OsB 2: Sintering, microstructure and mechanical properties

DOE PAGES

Xie, Zhilin; Lugovy, Mykola; Orlovskaya, Nina; ...

2015-02-07

In this study, the metastable high pressure ReB 2-type hexagonal OsB 2 bulk ceramics was produced by spark plasma sintering. The phase composition, microstructure, and mechanical behavior of the sintered OsB 2 were studied by X-ray diffraction, optical microscopy, TEM, SEM, EDS, and nanoindentation. The produced ceramics was rather porous and contained a mixture of hexagonal (~80 wt.%) and orthorhombic (~20 wt.%) phases as identified by X-ray diffraction and EBSD analysis. Two boron-rich phases, which do not contain Os, were also identified by TEM and SEM/EDS analysis. Nanoindentation measurements yielded a hardness of 31 ± 9 GPa and Young’s modulusmore » of 574 ± 112 GPa, indicating that the material is rather hard and very stiff; but, it is very prone to crack formation and propagation, which is indicative of a very brittle nature of this material. Improvements in the sintering regime are required in order to produce dense, homogeneous and single phase hexagonal OsB 2 bulk ceramics.« less

Generating a Multiphase Equation of State with Swarm Intelligence

NASA Astrophysics Data System (ADS)

Cox, Geoffrey

2017-06-01

Hydrocode calculations require knowledge of the variation of pressure of a material with density and temperature, which is given by the equation of state. An accurate model needs to account for discontinuities in energy, density and properties of a material across a phase boundary. When generating a multiphase equation of state the modeller attempts to balance the agreement between the available data for compression, expansion and phase boundary location. However, this can prove difficult because minor adjustments in the equation of state for a single phase can have a large impact on the overall phase diagram. Recently, Cox and Christie described a method for combining statistical-mechanics-based condensed matter physics models with a stochastic analysis technique called particle swarm optimisation. The models produced show good agreement with experiment over a wide range of pressure-temperature space. This talk details the general implementation of this technique, shows example results, and describes the types of analysis that can be performed with this method.

Anisotropic dielectric phase transition triggered by pendulum-like motion coupled with proton transfer in a layered hybrid crystalline material (4-nitroanilinium+) (18-crown-6) (H2PO4-) (H3PO4)2

NASA Astrophysics Data System (ADS)

Liu, Yang; Zhu, Chun-li; Qin, Liu-lei; Zheng, Xiao-yuan; Liu, Zun-qi

2018-07-01

The organic-inorganic hybrid phase-transition material, (4-nitroanilinium+) (18-crown-6) (H2PO4-) (H3PO4)2 (1), was successfully synthesized. The organic (4-nitroanilinium) (18-crown-6)+ supramolecular cation layer and inorganic phosphate anion layer were arranged alternately. Differential scanning calorimetry (DSC), temperature-dependent dielectric measurements, and variable-temperature single-crystal X-ray diffraction analysis confirmed the reversible isostructural phase transition of 1 with the same space group Pbca at 225 K, wherein the synergistic effect between the pendulum-like motion of organic cations and the proton transfer in the Osbnd H⋯O hydrogen bonding of inorganic anions was mainly responsible for the phase-transition behavior of 1. The most striking dielectric property was the remarkable anisotropy along various crystallographic axes. A potential-energy calculation further supported the possibility of dynamic motion of cations in the crystal.

A Riemann solver for single-phase and two-phase shallow flow models based on relaxation. Relations with Roe and VFRoe solvers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pelanti, Marica, E-mail: Marica.Pelanti@ens.f; Bouchut, Francois, E-mail: francois.bouchut@univ-mlv.f; Mangeney, Anne, E-mail: mangeney@ipgp.jussieu.f

2011-02-01

We present a Riemann solver derived by a relaxation technique for classical single-phase shallow flow equations and for a two-phase shallow flow model describing a mixture of solid granular material and fluid. Our primary interest is the numerical approximation of this two-phase solid/fluid model, whose complexity poses numerical difficulties that cannot be efficiently addressed by existing solvers. In particular, we are concerned with ensuring a robust treatment of dry bed states. The relaxation system used by the proposed solver is formulated by introducing auxiliary variables that replace the momenta in the spatial gradients of the original model systems. The resultingmore » relaxation solver is related to Roe solver in that its Riemann solution for the flow height and relaxation variables is formally computed as Roe's Riemann solution. The relaxation solver has the advantage of a certain degree of freedom in the specification of the wave structure through the choice of the relaxation parameters. This flexibility can be exploited to handle robustly vacuum states, which is a well known difficulty of standard Roe's method, while maintaining Roe's low diffusivity. For the single-phase model positivity of flow height is rigorously preserved. For the two-phase model positivity of volume fractions in general is not ensured, and a suitable restriction on the CFL number might be needed. Nonetheless, numerical experiments suggest that the proposed two-phase flow solver efficiently models wet/dry fronts and vacuum formation for a large range of flow conditions. As a corollary of our study, we show that for single-phase shallow flow equations the relaxation solver is formally equivalent to the VFRoe solver with conservative variables of Gallouet and Masella [T. Gallouet, J.-M. Masella, Un schema de Godunov approche C.R. Acad. Sci. Paris, Serie I, 323 (1996) 77-84]. The relaxation interpretation allows establishing positivity conditions for this VFRoe method.« less

Modeling Diffusion Induced Stresses for Lithium-Ion Battery Materials

NASA Astrophysics Data System (ADS)

Chiu Huang, Cheng-Kai

Advancing lithium-ion battery technology is of paramount importance for satisfying the energy storage needs in the U.S., especially for the application in the electric vehicle industry. To provide a better acceleration for electric vehicles, a fast and repeatable discharging rate is required. However, particle fractures and capacity loss have been reported under high current rate (C-rate) during charging/discharging and after a period of cycling. During charging and discharging, lithium ions extract from and intercalate into electrode materials accompanied with the volume change and phase transition between Li-rich phase and Li-poor phase. It is suggested that the diffusion-induced-stress is one of the main reasons causing capacity loss due to the mechanical degradation of electrode particles. Therefore, there is a fundamental need to provide a mechanistic understanding by considering the structure-mechanics-property interactions in lithium-ion battery materials. Among many cathode materials, the olivine-based lithium-iron-phosphate (LiFePO4) with an orthorhombic crystal structure is one of the promising cathode materials for the application in electric vehicles. In this research we first use a multiphysic approach to investigate the stress evolution, especially on the phase boundary during lithiation in single LiFePO4 particles. A diffusion-controlled finite element model accompanied with the experimentally observed phase boundary propagation is developed via a finite element package, ANSYS, in which lithium ion concentration-dependent anisotropic material properties and volume misfits are incorporated. The stress components on the phase boundary are used to explain the Mode I, Mode II, and Mode III fracture propensities in LiFePO4 particles. The elastic strain energy evolution is also discussed to explain why a layer-by-layer lithium insertion mechanism (i.e. first-order phase transformation) is energetically preferred. Another importation issue is how current rate (C-rate) during charging/discharging affects diffusion induced stresses inside electrode materials. For the experimental part we first conduct charging/discharging under different C-rates to observe the voltage responses for commercial LiFePO4 batteries. Then Time-of-Flight Secondary Ion Mass Spectrometry technique is applied to measure the lithium ion intensities in different C-rate charged/discharged samples. These experimental results could be used to support that a more significant voltage fluctuation under high C-rates is due to different lithium insertion mechanisms, rather than the amount of lithium ions intercalated into electrode materials. Thus the investigation of C-rate-dependent stress evolution is required for the development of a more durable lithium ion battery. In this dissertation, we extend the single particle finite element model to investigate the C-rate-dependent diffusion induced stresses in a multi-particle system. Concentration dependent anisotropic material properties, C-rate-dependent volume misfits and concentration dependent Li-ion diffusivity are incorporated in the model. The concentration gradients, diffusion induced stresses, and strain energies under different C-rates are discussed in this study. Particle fractures have been observed in many experimental results, in this study we further discuss the effect of the crack surface orientation on the lithium concentration profile and stress level in cathode materials. The results of this dissertation provide a better understanding of diffusion induced stresses in electrode materials and contribute to our fundamental knowledge of interplay between lithium intercalations, stress evolutions, particle fractures and the capacity fade in lithium-ion batteries.

Characterization of piezocrystals for practical configurations with temperature- and pressure-dependent electrical impedance spectroscopy.

PubMed

Qiu, Zhen; Sadiq, Muhammad R; Démoré, Christine; Parker, Michelle F; Marin, Pablo; Mayne, Keith; Cochran, Sandy

2011-09-01

Piezoelectric single crystal materials such as (x)Pb(Mg(1/3)Nb(2/3))O(3-)(1-x)PbTiO(3) (PMN-PT) have, by some measures, significantly better performance than established piezoelectric ceramics for ultrasound applications. However, they are also subject to phase transitions affecting their behavior at temperatures and pressures encountered in underwater sonar and actuator applications and in non-destructive testing at elevated temperatures. Materials with modified compositions to reduce these problems are now under development, but application-oriented characterization techniques need further attention. Characterization with temperature variation has been reported extensively, but the range of parameters measured is often limited and the effects of pressure variation have received almost no attention. Furthermore, variation in properties between samples is now rarely reported. The focus of this paper is an experimental system set up with commercially available equipment and software to carry out characterization of piezoelectric single crystals with variation in temperature, pressure, and electrical bias fields found in typical practical use. We illustrate its use with data from bulk thickness-mode PMN-29%PT samples, demonstrating variation among nominally identical samples and showing not only the commonly reported changes in permittivity with temperature for bulk material but also significant and complicated changes with pressure and bias field and additional ultrasonic modes which are attributed to material phase changes. The insight this provides may allow the transducer engineer to accelerate new material adoption in devices.

Opportunities for functional oxides in yttrium oxide-titanium oxide-zirconium oxide system: Applications for novel thermal barrier coatings

NASA Astrophysics Data System (ADS)

Francillon, Wesley

This dissertation is an investigation of materials and processed under consideration for next generation thermal structural oxides with potential applications as thermal barrier coatings; wherein, high temperature stability and mechanical properties affect durability. Two notable next generation materials systems under investigation are pyrochlore and co-doped zirconia oxides. The motivation for this work is based on current limitations of the currently used thermal barrier material of yttria stabilized zirconia (YSZ) deposited by the plasma spray processes. The rapid quenching associated with the plasma spray process, results in a metastable structure that is a non-transformable tetragonal structure in the yttria partially stabilized zirconia system rather than the equilibrium anticipated two phase mixture of cubic and monoclinic phases. It has been shown that this metastable structure offers enhanced toughness and thus durability during thermomechanical cycling from the operating temperatures in excess of 1000C to ambient. However, the metastable oxides are susceptible to partitioning at temperatures greater than 1200C, thus resulting in a transformation of the tetragonal phase oxides. Transformations of the tetragonal prime phase into the parent cubic and tetragonal prime phase result in coating degradation. Several of the emerging oxides are based on rare earth additions to zirconia. However, there is limited information of the high temperature stability of these oxide coatings and more notably these compositions exhibit limited toughness for durable performance. A potential ternary composition based on the YSZ system that offers the ability to tailor the phase structure is based YO1.5-TiO2 -ZrO2. The ternary of YO1.5-TiO2-ZrO 2 has the current TBC composition of seven molar percent yttria stabilized zirconia, pyrochlore phase oxide and zirconia doped with yttria and titania additions (Ti-YSZ). The Ti-YSZ phase field is of interest because at equilibrium it is a single tetragonal phase. Thus, compositions are of single phase tetragonal phase, theoretically, should not undergo high temperature partitioning. Single Tetragonal phase oxides of Ti-YSZ also offer the possibility of enhanced toughness and higher temperature stability akin to those observed in yttria partially stabilized zirconia. Many pyrochlore oxides are under review because they have shown to have lower thermal conductivity than YSZ oxides. This study focused on chemically synthesizing homogeneous starting material compositions in a metastable state (preferably amorphous), following its evolution according to the phase hierarchy under conditions of kinetic constraints. The current equilibrium diagram of YO1.5-TiO2-ZrO 2 is based on theoretical calculations. One of the contributions of this work is the redefined phase fields in YO1.5-TiO2-ZrO 2 based on our experimental results. Investigated compositions were based on tie lines of Y2-xTi2ZrxO7+x/2 and Y2Ti2-yZryO7 representing substitution of Zr4+ for Y3+ and Zr4+ for Ti4+ respectively. More notably, we observed extended metastable phases in pyrochlore and fluorite oxides at low temperature. The significance of this result is that it offers a larger compositional range for investing pyrochlore oxides with associated high temperature phase stability for TBC applications. In tetragonal oxides, our results showed that Ti-YSZ results have slower partitioning kinetics in comparison to YSZ at high temperature. This study also emphasized the deposition of advanced ceramic coatings by plasma spray for tetragonal and pyrochlore systems, compositionally complex functional oxides that may potentially have lower thermal conductivity values compared to current YSZ oxides. Next generation thermal barrier coatings require powders with high chemical purity, chemical homogeneity, controlled particle size/shape and pertinent phase state. Thermal spray offers an avenue to create novel materials and deposits directly from the precursor and compositionally controlled powder feedstock. This study contributed to investigating an unexplored field that offers a variety of opportunities in materials synthesis that would not be possible by conventional methods. Understanding processing-microstructure-property correlations is of considerable importance in thermal spray of functional oxide materials. This thesis demonstrated by radio-frequency thermal spray that the complex pyrochlore oxide Y 2Ti2O7 could be deposited by directly injecting molecularly mixed precursors to form oxide coatings. Structural analysis revealed the metastable fluorite phase; however, with thermal treatments at relatively low temperature of 700°C the pyrochlore phase was obtained. For Ti-YSZ coatings, the tetragonal phase oxides were obtained with unique microstructures, however, the tetragonal prime destabilized at 1200°C. This dissertation explored novel oxide compositions through detailed structural analysis. The approach presented a comprehensive and integrated investigation as it pertains to phase evolution of oxides in powder feedstock to coating characteristics (phase/properties).

Applications of x ray absorption fine structure to the in situ study of the effect of cobalt in nickel hydrous oxide electrodes for fuel cells and rechargeable batteries

NASA Technical Reports Server (NTRS)

Kim, Sunghyun; Tryk, Donald A.; Scherson, Daniel A.; Antonio, Mark R.

1993-01-01

Electronic and structural aspects of composite nickel-cobalt hydrous oxides have been examined in alkaline solutions using in situ X-ray absorption fine structure (XAFS). The results obtained have indicated that cobalt in this material is present as cobaltic ions regardless of the oxidation state of nickel in the lattice. Furthermore, careful analysis of the Co K-edge Extended X-ray absorption fine structure data reveals that the co-electrodeposition procedure generates a single phase, mixed metal hydrous oxide, in which cobaltic ions occupy nickel sites in the NiO2 sheet-like layers and not two intermixed phases each consisting of a single metal hydrous oxide.

Quantum propagation in single mode fiber

NASA Technical Reports Server (NTRS)

Joneckis, Lance G.; Shapiro, Jeffrey H.

1994-01-01

This paper presents a theory for quantum light propagation in a single-mode fiber which includes the effects of the Kerr nonlinearity, group-velocity dispersion, and linear loss. The theory reproduces the results of classical self-phase modulation, quantum four-wave mixing, and classical solution physics, within their respective regions of validity. It demonstrates the crucial role played by the Kerr-effect material time constant, in limiting the quantum phase shifts caused by the broadband zero-point fluctuations that accompany any quantized input field. Operator moment equations - approximated, numerically, via a terminated cumulant expansion - are used to obtain results for homodyne-measurement noise spectra when dispersion is negligible. More complicated forms of these equations can be used to incorporate dispersion into the noise calculations.

Single step synthesis of nanostructured boron nitride for boron neutron capture therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Bikramjeet; Singh, Paviter; Kumar, Akshay, E-mail: akshaykumar.tiet@gmail.com

2015-05-15

Nanostructured Boron Nitride (BN) has been successfully synthesized by carbo-thermic reduction of Boric Acid (H{sub 3}BO{sub 3}). This method is a relatively low temperature synthesis route and it can be used for large scale production of nanostructured BN. The synthesized nanoparticles have been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and differential thermal analyzer (DTA). XRD analysis confirmed the formation of single phase nanostructured Boron Nitride. SEM analysis showed that the particles are spherical in shape. DTA analysis showed that the phase is stable upto 900 °C and the material can be used for high temperature applications asmore » well boron neutron capture therapy (BNCT)« less

The Phase Transformation and Crystal Structure Studies of Strontium Substituted Barium Monoferrite

NASA Astrophysics Data System (ADS)

Mulyawan, A.; Adi, W. A.; Mustofa, S.; Fisli, A.

2017-03-01

Unlike other AFe2O4 ferrite materials, Barium Monoferrite (BaFe2O4) have an orthorhombic structure which is very interesting to further study the crystal structure and phase formation. In this study, Strontium substituted Barium Monoferrite in the form of Ba(1-x)Sr(x)Fe2O4 has successfully been synthesized through solid state reaction method which includes BaCO3, SrCO3, and Fe2O3 as starting materials. Ba(1-x)Sr(x)Fe2O4 was made by varying the dopant composition of Strontium (Sr2+) from x = 0, 0.1, 0.3, and 0.5. Each composition was assisted by ethanol and continued to the milling process for 5 hours then followed by sintering process at 900 °C for 5 hours. The phase transformation was studied by using X-ray diffractometer (XRD) and Rietveld refinement using General Structure Analysis System (GSAS) also 3D crystal visualization using VESTA. Referring to the refinement results, a single phase of BaFe2O4 was formed in x = 0 and 0.1. The composition has orthorhombic structure, space group B b21m, and lattice parameters of a = 19.0229, b = 5.3814 c = 8.4524 Å, α = β = γ = 90° and a = 18.9978, b = 5.3802 c = 8.4385 Å, α = β = γ = 90° respectively. In the composition of x = 0.3 it was found that the phase of BaSrFe4O8 begin to form due to the overload expansion of the Sr2+ occupancy which made the distortion of the initial lattice parameters and finally in the x = 0.5 composition the single phase of BaSrFe4O8 was clearly formed. Energy Dispersive Spectroscopy (EDS) was used to confirm the change of the material structure by measuring the elemental compound composition ratio. The result of EDS spectra clearly exhibited the dominant elements were Barium (Ba), Strontium (Sr), Iron (Fe), and Oxygen (O) with the compound ratio (Atomic percentage and mass percentage) correspond to the BaFe2O4 and BaSrFe4O8 phase.

JPRS Report, Science & Technology, USSR: Materials Science

DTIC Science & Technology

1988-03-11

crystallization of the amorphous phase, and subsequent growth of ß-boron grains. References 5: all Russian. 2415/9835 UDC 621.033.67 Erosion of Materials in...Weightlessness and Effect of Magnetic Field on Liquation Processes in InSb Crystals (V. S. Zemskov, M. R. Raukhman; FIZIKA I KHIMIYA OBRABOTKI MATERIALOV, No...No 7, Jul 87) 13 Production of CdP2^CdAs2 Solid-Solution Single Crystals and Measurement of Their Cathodoluminescence Spectra (V, B, Lazarev, S

Interpreting the Combustion Process for High-Performance ZrNiSn Thermoelectric Materials.

PubMed

Hu, Tiezheng; Yang, Dongwang; Su, Xianli; Yan, Yonggao; You, Yonghui; Liu, Wei; Uher, Ctirad; Tang, Xinfeng

2018-01-10

The ZrNiSn alloy, a member of the half-Heusler family of thermoelectric materials, shows great potential for mid-to-high-temperature power generation applications due to its excellent thermoelectric properties, robust mechanical properties, and good thermal stability. The existing synthesis processes of half-Heusler alloys are, however, rather time and energy intensive. In this study, single-phase ZrNiSn bulk materials were prepared by self-propagating high-temperature synthesis (SHS) combined with spark plasma sintering (SPS) for the first time. The analysis of thermodynamic and kinetic processes shows that the SHS reaction in the ternary ZrNiSn alloy is different from the more usual binary systems. It consists of a series of SHS reactions and mass transfers triggered by the SHS fusion of the binary Ni-Sn system that eventually culminates in the formation of single-phase ternary ZrNiSn in a very short time, which reduced the synthesis period from few days to less than an hour. Moreover, the nonequilibrium feature induces Ni interstitials in the structure, which simultaneously enhances the electrical conductivity and decreases the thermal conductivity, which is favorable for thermoelectric properties. The maximum thermoelectric figure of merit ZT of the SHS + SPS-processed ZrNiSn 1-x Sb x alloy reached 0.7 at 870 K. This study opens a new avenue for the fast and low-cost fabrication of half-Heusler thermoelectric materials.

Effect of manganese doping on PIN-PMN-PT single crystals for high power applications

NASA Astrophysics Data System (ADS)

Sahul, Raffi

Single crystals based on relaxor-lead titanate (relaxor-PT) solid solutions have advanced the world of piezoelectric materials for the past two decades with their giant piezoelectric properties achieved by domain engineered configurations. When single crystals of lead magnesium niobate-lead titanate (PMN-PT) solid solution in the rhombohedral phase were poled along [001]c direction with "4R" domain configuration, they exhibited high piezoelectric charge coefficient (d33 >2000 pC/N) and high electromechanical coupling (k33 >0.9) which led to their widespread use in advanced medical imaging systems and underwater acoustic devices. However, PMN-PT crystals suffer from low phase transition temperature (Trt ˜85-95 °C) and lower coercive field (depolarizing electric field, Ec ˜2-3 kV/cm). Lead indium niobate - lead magnesium niobate - lead titanate (PIN-PMN-PT) ternary single crystals formed by adding indium as another constituent exhibit higher coercive field (E c ˜5kV/cm) and higher Curie temperature (Tc >210 °C) than the binary PMN-PT crystals (Ec ˜2.5 kV/cm and Tc <140 °C). When these ternary PIN-PMN-PT crystals are doped with manganese (Mn:PIN-PMN-PT), they behave like hard piezoelectric materials demonstrating an internal bias field (Ei ˜0.8-1.6 kV/cm), leading to low elastic losses and high mechanical Q-factor (Qm >600) compared to the undoped binary crystals (Qm of PMN-PT <150). Although the spontaneous polarization directions for these rhombohedral crystals are in the c directions, the giant piezoelectric effect (d33 >2000 pC/N for PMN-PT) occurs in the [001]c poled crystals, which is attributed to the polarization rotation mechanisms. Hence, domain engineering configurations induced by poling these crystals in orientations other than their polarization axis are critical for achieving large piezoelectric effects. Based on the phase diagram of these solid solutions, with the increase in PT content beyond the rhombohedral phase region, orthorhombic/monoclinic and tetragonal phases are formed. In the orthorhombic and tetragonal phases, the spontaneous polarization directions are in the [011]c and [001] c directions respectively. Similar to the "4R" domain configuration achieved in [001]c poled rhombohedral crystals, other domain configurations can be achieved by poling the single crystals in different orientations, leading to multitude of properties that are useful for various specified applications. The unique properties and configurations arise from the large anisotropy of the single crystalline materials and various polarization rotation mechanisms that are associated with these multi-domain configurations. This dissertation is focused on the properties of manganese doped PIN-PMN-PT ternary single crystals in the rhombohedral phase. By poling them in either [001]c, [011]c, or [111]c, 4R, 2R or 1R domain configuration can be achieved respectively. Longitudinal vibration mode, d 33, or k33 is the most useful mode from 4R configuration. The "2R" domain state is obtained by poling the rhombohedral phase crystal along [011]c crystallographic direction. Investigation of "2R" Mn:PIN-PMN-PT single crystals and their properties lead to unique resonance modes (d32, "2R d15", and d36') that are very useful and relevant to practical applications. Considering the large anisotropy and various symmetries exhibited by these crystals, full set of dielectric, piezoelectric, and elastic properties are extremely critical to understand different modes and their overall behavior in devices. Inconsistencies in full set of properties may be caused by complex methods involved in performing characterization measurements and also inhomogeneity among samples used for the measurements. Due to the large number of coefficients that need to be determined for full property material data, a methodology combining resonance and ultrasound methods is the most widely used technique for consistent measurement of full set properties for these materials. Full property measurements (elastic, dielectric, and piezoelectric) for the "2R" Mn:PIN-PMN-PT single crystal poled into orthorhombic mm2 macroscopic symmetry ([011]c poled crystals) and for "4R" configuration ([001]c poled crystals) were conducted and the data was analyzed based on their macroscopic crystallographic symmetry. Full property data was measured for the 1R configuration of the Mn:PIN-PMN-PT single crystal to understand the monodomain properties and the orientation dependence of dielectric, elastic, and piezoelectric properties. Domain averaging and matrix transformation was performed with the monodomain data to calculate 4R data and compare with that of experimental 4R data. Orientation dependence of the properties is also presented to understand the crystallographic directions that are best suited for the various applications. The high sensitivity of PMN-PT and the high Qm of Mn:PIN-PMN-PT provide designers with soft and hard piezoelectric material choices in the relaxor-PT single crystals family. While much work has been done on PMN-PT crystals, research efforts on the Mn:PIN-PMN-PT crystals are limited. Investigation of the Qm for Mn-doped crystals under high power drive conditions is essential for the practical application of these crystals for devices. High power characteristics of the Mn:PIN-PMN-PT single crystals were measured with emphasis on specific modes (transverse mode, d32, and face shear mode, d36') based on a constant vibration velocity method using a high power characterization system (HiPoCs), and the degradation of Qm as a function of vibration velocity was studied in order to understand the self heating behavior and device limitations. Practical devices that are useful for various applications were designed and performance of these prototype devices was quantitatively evaluated. This thesis work provides a concrete advancement in the understanding of doped ternary relaxor-PT ferroelectric single crystals and the influence of their domain engineered configurations on their properties. The emphasis is on vibration modes related to piezoelectric vibrators with the multi-domain single crystals having macroscopic mm2 symmetry. In the last chapter, limitations and future perspectives are also discussed.

Monoclinic nanodomains in morphotropic phase boundary Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sato, Y., E-mail: y-sato@sigma.t.u-tokyo.ac.jp; Hirayama, T.; Ikuhara, Y.

2014-02-24

Crystalline structure is a fundamental characteristic of many materials, and drastic changes in properties may accompany crystal phase transitions. A prominent example of this is the morphotropic phase boundary of (Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-PbTiO{sub 3}) single crystal, a region that exhibits a high piezoelectric effect. Although the highest piezoelectricity is often attributed to a monoclinic crystal phase, formation of ferroelectric nanodomains (NDs) complicates understanding of this crystal structure. In this Letter, we report dedicated transmission electron microscopy and electron diffraction analysis to understand the crystal structure at the ND level. Splitting of diffraction spots, caused by very small lattice distortionmore » in the NDs, is important to understanding crystal structure and has been unambiguously observed. The results can be explained by monoclinic phase NDs. Combining these results with our previous findings on ND dynamics [Sato et al. Phys. Rev. Lett. 107, 187601 (2011)], monoclinic NDs can potentially make a considerable contribution to the piezoelectricity in these materials.« less

Enhanced Mechanical Performance of Bio-Inspired Hybrid Structures Utilising Topological Interlocking Geometry.

PubMed

Djumas, Lee; Molotnikov, Andrey; Simon, George P; Estrin, Yuri

2016-05-24

Structural composites inspired by nacre have emerged as prime exemplars for guiding materials design of fracture-resistant, rigid hybrid materials. The intricate microstructure of nacre, which combines a hard majority phase with a small fraction of a soft phase, achieves superior mechanical properties compared to its constituents and has generated much interest. However, replicating the hierarchical microstructure of nacre is very challenging, not to mention improving it. In this article, we propose to alter the geometry of the hard building blocks by introducing the concept of topological interlocking. This design principle has previously been shown to provide an inherently brittle material with a remarkable flexural compliance. We now demonstrate that by combining the basic architecture of nacre with topological interlocking of discrete hard building blocks, hybrid materials of a new type can be produced. By adding a soft phase at the interfaces between topologically interlocked blocks in a single-build additive manufacturing process, further improvement of mechanical properties is achieved. The design of these fabricated hybrid structures has been guided by computational work elucidating the effect of various geometries. To our knowledge, this is the first reported study that combines the advantages of nacre-inspired structures with the benefits of topological interlocking.

Phase control of austenitic chrome-nickel steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Korkh, M. K., E-mail: KorkhMK@imp.uran.ru; Davidov, D. I., E-mail: davidov@imp.uran.ru; Korkh, J. V., E-mail: Korkh@imp.uran.ru

2015-10-27

The paper presents the results of the comparative study of the possibilities of different structural and magnetic methods for detection and visualization of the strain-induced martensitic phase in low carbon austenitic chromium-nickel steel. Results of TEM, SEM, optical microscopy, atomic and magnetic force microscopy, and magnetic measurements are presented. Amount of the magnetic strain-induced martensite was estimated. We pioneered magnetic force microscopic images of the single domain cluster distribution of the strain-induced martensite in austenite-ferrite materials.

Testing of the box transformer 10/04.4 kV in the network of the electricity supply company

NASA Astrophysics Data System (ADS)

Cichowski, R.; Nickling, G.

1983-08-01

Applications of a 10/0.4 kV box transformer are studied. Single phase and triple phase prototypes were tested in a distribution network. Test results show that heat loss, hence ground desiccation danger is eliminated by using lean concrete as bedding material (ratio of weight sand: cement: water = 19:1:2). Redistribution of no-load losses and winding losses reduces the total loss from 460 to 324 W, and improves the connection technique.

Pressure induced phase transitions studies using advanced synchrotron techniques

NASA Astrophysics Data System (ADS)

Liu, Haozhe; Liu, Lisa; Zhao, Jinggeng; HIT Overseas Collaborative Base at Argonne Collaboration

2013-06-01

In this presentation, the joint effort on high pressure research through program of Harbin Institute of Technology (HIT) Overseas Collaborative Base at Argonne will be introduced. Selected research projects on pressure induced phase transitions at room temperature and high/low temperature conditions, such as A2B3 type topological insulators, iron arsenide superconductors, piezoelectric/ferroelectric materials, ABO3 type single crystals and metallic glasses, will be presented. Recent development on imaging and diffraction tomography techniques in diamond anvil cell will be reviewed as well.

Magnetotransport study of Dirac fermions in YbMnBi 2 antiferromagnet

DOE PAGES

Wang, Aifeng; Zaliznyak, I.; Ren, Weijun; ...

2016-10-15

We report quantum transport and Dirac fermions in YbMnBi 2 single crystals. YbMnBi 2 is a layered material with anisotropic conductivity and magnetic order below 290 K. Magnetotransport properties, nonzero Berry phase, and small cyclotron mass indicate the presence of Dirac fermions. Lastly, angular-dependent magnetoresistance indicates a possible quasi-two-dimensional Fermi surface, whereas the deviation from the nontrivial Berry phase expected for Dirac states suggests the contribution of parabolic bands at the Fermi level or spin-orbit coupling.

Spatial and temporal modeling of sub- and supercritical thermal energy storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tse, LA; Ganapathi, GB; Wirz, RE

2014-05-01

This paper describes a thermodynamic model that simulates the discharge cycle of a single-tank thermal energy storage (TES) system that can operate from the two-phase (liquid-vapor) to supercritical regimes for storage fluid temperatures typical of concentrating solar power plants. State-of-the-art TES design utilizes a two-tank system with molten nitrate salts; one major problem is the high capital cost of the salts (International Renewable Energy Agency, 2012). The alternate approach explored here opens up the use of low-cost fluids by considering operation at higher pressures associated with the two-phase and supercritical regimes. The main challenge to such a system is itsmore » high pressures and temperatures which necessitate a relatively high-cost containment vessel that represents a large fraction of the system capital cost. To mitigate this cost, the proposed design utilizes a single-tank TES system, effectively halving the required wall material. A single-tank approach also significantly reduces the complexity of the system in comparison to the two-tank systems, which require expensive pumps and external heat exchangers. A thermodynamic model is used to evaluate system performance; in particular it predicts the volume of tank wall material needed to encapsulate the storage fluid. The transient temperature of the tank is observed to remain hottest at the storage tank exit, which is beneficial to system operation. It is also shown that there is an optimum storage fluid loading that generates a given turbine energy output while minimizing the required tank wall material. Overall, this study explores opportunities to further improve current solar thermal technologies. The proposed single-tank system shows promise for decreasing the cost of thermal energy storage. (C) 2014 Elsevier Ltd. All rights reserved.« less

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Measurement of optical absorption in polycrystalline CVD diamond plates by the phase photothermal method at a wavelength of 10.6 μm

NASA Astrophysics Data System (ADS)

Luk'yanov, A. Yu; Ral'chenko, Viktor G.; Khomich, A. V.; Serdtsev, E. V.; Volkov, P. V.; Savel'ev, A. V.; Konov, Vitalii I.

2008-12-01

A highly-efficient phase photothermal method is developed for quantitative measurements of the small optical absorption coefficient in thin plates made of highly transparent materials in which bulk losses significantly exceed surface losses. The bulk absorption coefficient at 10.6 μm is estimated in polycrystalline diamond plates grown from the vapour phase (a CVD diamond). The results are compared with those for natural and synthetic diamond single crystals and with the concentrations of nitrogen and hydrogen impurities. The absorption coefficient of the best samples of the CVD diamond did not exceed 0.06 cm-1, which, taking into account the high thermal conductivity of the CVD diamond (1800-2200 W mK-1 at room temperature), makes this material attractive for fabricating output windows of high-power CO2 lasers, especially for manufacturing large-size optics.

Low-temperature phase transitions in a soluble oligoacene and their effect on device performance and stability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ward, J. W.; Goetz, K. P.; Obaid, A.

The use of organic semiconductors in high-performance organic field-effect transistors requires a thorough understanding of the effects that processing conditions, thermal, and bias-stress history have on device operation. Here, we evaluate the temperature dependence of the electrical properties of transistors fabricated with 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene, a material that has attracted much attention recently due to its exceptional electrical properties. We have discovered a phase transition at T = 205 K and discuss its implications on device performance and stability. We examined the impact of this low-temperature phase transition on the thermodynamic, electrical, and structural properties of both single crystals and thin films of this material.more » Our results show that while the changes to the crystal structure are reversible, the induced thermal stress yields irreversible degradation of the devices.« less

Depth distribution of secondary phases in kesterite Cu 2ZnSnS 4 by angle-resolved X-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Just, J.; Lützenkirchen-Hecht, D.; Müller, O.

The depth distribution of secondary phases in the solar cell absorber material Cu 2ZnSnS 4 (CZTS) is quantitatively investigated using X-ray Absorption Near Edge Structure (XANES) analysis at the K-edge of sulfur at varying incidence angles. Varying information depths from several nanometers up to the full thickness is achieved. A quantitative profile of the phase distribution is obtained by a self-consistent fit of a multilayer model to the XANES spectra for different angles. Single step co-evaporated CZTS thin-films are found to exhibit zinc and copper sulfide secondary phases preferentially at the front or back interfaces of the film.

Depth distribution of secondary phases in kesterite Cu 2ZnSnS 4 by angle-resolved X-ray absorption spectroscopy

DOE PAGES

Just, J.; Lützenkirchen-Hecht, D.; Müller, O.; ...

2017-12-12

The depth distribution of secondary phases in the solar cell absorber material Cu 2ZnSnS 4 (CZTS) is quantitatively investigated using X-ray Absorption Near Edge Structure (XANES) analysis at the K-edge of sulfur at varying incidence angles. Varying information depths from several nanometers up to the full thickness is achieved. A quantitative profile of the phase distribution is obtained by a self-consistent fit of a multilayer model to the XANES spectra for different angles. Single step co-evaporated CZTS thin-films are found to exhibit zinc and copper sulfide secondary phases preferentially at the front or back interfaces of the film.

Solution based synthesis of mixed-phase materials in the Li2TiO3-Li4SiO4 system

NASA Astrophysics Data System (ADS)

Hanaor, Dorian A. H.; Kolb, Matthias H. H.; Gan, Yixiang; Kamlah, Marc; Knitter, Regina

2015-01-01

As candidate tritium breeder materials for use in the ITER helium cooled pebble bed, ceramic multiphasic compounds lying in the region of the quasi-binary lithium metatitanate-lithium orthosilicate system may exhibit mechanical and physical advantages relative to single phase materials. Here we present an organometallic solution-based synthesis procedure for the low-temperature fabrication of compounds in the Li2TiO3-Li4SiO4 region and investigate phase stability and transformations through temperature varied X-ray diffraction and scanning calorimetry. Results demonstrate that the metatitanate and metasilicate phases Li2TiO3 and Li2SiO3 readily crystallise in nanocrystalline form at temperatures below 180 °C. Lithium deficiency in the region of 5% results from Li sublimation from Li4SiO4 and/or from excess Li incorporation in the metatitanate phase and brings about a stoichiometry shift, with product compounds exhibiting mixed lithium orthosilicate/metasilicate content towards the Si rich region and predominantly Li2TiO3 content towards the Ti rich region. Above 1150 °C the transformation of monoclinic to cubic γ-Li2TiO3 disordered solid-solution occurs while the melting of silicate phases indicates a likely monotectic type system with a solidus line in the region 1050-1100 °C. Synthesis procedures involving a lithium chloride precursor are not likely to be a viable option for breeder pebble synthesis as this route was found to yield materials with a more significant Li-deficiency exhibiting the crystallisation of the Li2TiSiO5 phase at intermediate compositions.

The magnetic ground state and relationship to Kitaev physics in α-RuCl3

NASA Astrophysics Data System (ADS)

Banerjee, Arnab

The 2D Kitaev candidate alpha-RuCl3 consists of stacked honeycomb layers weakly coupled by Van der Waals interactions. Here we report the measurements of bulk properties and neutron diffraction in both powder and single crystal samples. Our results show that the full three dimensional magnetic ground state is highly pliable with at least two dominant phases corresponding to two different out-of-plane magnetic orders. They have different Neel temperatures dependent on the stacking of the 2D layers, such as a broad magnetic transition at TN = 14 K as observed in phase-pure powder samples, or a sharp magnetic transition at a lower TN = 7 K as observed in homogeneous single crystals with no evidence for stacking faults. The magnetic refinements of the neutron scattering data will be discussed, which in all cases shows the in-plane magnetic ground state is the zigzag phase common in Kitaev related materials including the honeycomb lattice Iridates. Inelastic neutron scattering in all cases shows that this material consistently exhibit strong two-dimensional magnetic fluctuations leading to a break-down of the classical spin-wave picture. Work performed at ORNL is supported by U.S. Dept. of Energy, Office of Basic Energy Sciences and Office of User Facilities Division.

A mixed-penalty biphasic finite element formulation incorporating viscous fluids and material interfaces.

PubMed

Chan, B; Donzelli, P S; Spilker, R L

2000-06-01

The fluid viscosity term of the fluid phase constitutive equation and the interface boundary conditions between biphasic, solid and fluid domains have been incorporated into a mixed-penalty finite element formulation of the linear biphasic theory for hydrated soft tissue. The finite element code can now model a single-phase viscous incompressible fluid, or a single-phase elastic solid, as limiting cases of a biphasic material. Interface boundary conditions allow the solution of problems involving combinations of biphasic, fluid and solid regions. To incorporate these conditions, the volume-weighted mixture velocity is introduced as a degree of freedom at interface nodes so that the kinematic continuity conditions are satisfied by conventional finite element assembly techniques. Results comparing our numerical method with an independent, analytic solution for the problem of Couette flow over rigid and deformable porous biphasic layers show that the finite element code accurately predicts the viscous fluid flows and deformation in the porous biphasic region. Thus, the analysis can be used to model the interface between synovial fluid and articular cartilage in diarthrodial joints. This is an important step toward modeling and understanding the mechanisms of joint lubrication and another step toward fully modeling the in vivo behavior of a diarthrodial joint.

Characterization of Oxygen Storage and Structural Properties of Oxygen-Loaded Hexagonal R MnO 3+δ ( R = Ho, Er, and Y)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abughayada, C.; Dabrowski, B.; Kolesnik, S.

2015-09-22

Single-phase polycrystalline samples of stoichiometric RMnO3+delta (R = Er, Y, and Ho) were achieved in the hexagonal P6(3)cm structure through solid state reaction at, similar to 1300 degrees C. Thermogravimetric measurements in oxygen atmospheres demonstrated that samples with the larger Ho and Y show rapid and reversible incorporation of large amounts of excess oxygen (0.3 > delta> 0) at an unusually low temperature range of similar to 190-325 degrees C, indicating the industrial usefulness of RMnO3+delta materials for lower cost thermal swing adsorption processes for oxygen separation from air. Further increase of the excess oxygen intake to delta similar tomore » 0.38 was achieved for all the investigated materials when annealed under high pressures of oxygen. The formation of three oxygen stable phases with 6 = 0, 0.28, and 0.38 was confirmed by thermogravimetric measurements, synchrotron X-rays, and neutron diffraction. In situ synchrotron diffraction proved the thermal stability of these single phases and the regions of their creation and coexistence, and demonstrated that the stability of the delta = 0.28 phase increases with the ionic size of the R ion. Structural modeling using neutron powder diffraction for oxygen excess phases describes the formation and details of a large R3c superstructure observed for HoMnO3.28 by tripling the c-axis of the original parent unit cell. Modeling of the RMnO3.38 (R = Y and Er) oxygen-loaded phase converged on a structural model consistent with the symmetry of Pca2(1).« less

Improved lithium iodide neutron scintillator with Eu 2+ activation: The elimination of Suzuki-Phase precipitates

DOE PAGES

Boatner, Lynn A.; Comer, Eleanor P.; Wright, Gomez W.; ...

2017-02-21

Monovalent alkali halides such as NaI, CsI, and LiI are widely used as inorganic scintillators for radiation detection due to their light yield, the capability for the growth of large single crystals, relatively low cost, and other favorable characteristics. These materials are frequently activated through the addition of small amounts (e.g., a few hundred ppm) of elements such as thallium - or sodium in the case of CsI. The monovalent alkali halide scintillators can also be activated with low concentrations of Eu 2+, however Eu activation has previously not been widely employed due to the non-uniform segregation of the divalentmore » Eu dopant that leads to the formation of unwanted phases during Bridgman or other solidification crystal-growth methods. Specifically, for Eu concentrations near and above ~0.5%, Suzuki Phase precipitates form in the course of the melt-growth process, and these Suzuki Phase particles scatter the scintillation light. This adversely affects the scintillator performance via reduction in the optical transmission of the material, and depending on the crystal thickness and precipitated-particle concentration, this reduction can occur up to the point of opacity. Here we describe a post-growth process for the removal of Suzuki Phase precipitates from single crystals of the neutron scintillator LiI activated with Eu 2+ at concentrations up to and in excess of 3 wt.%, and we correlate the resulting neutron-detection performance with the thermal processing methods used to remove the Suzuki Phase particles. Furthermore, the resulting improved scintillator properties using increased Eu activator levels are applicable to neutron imaging and active interrogation systems, and pulse-height gamma-ray spectroscopy rather than pulse-shape discrimination can be used to discriminate between gamma ray and neutron interaction events.« less

Improved lithium iodide neutron scintillator with Eu2+ activation: The elimination of Suzuki-Phase precipitates

NASA Astrophysics Data System (ADS)

Boatner, L. A.; Comer, E. P.; Wright, G. W.; Ramey, J. O.; Riedel, R. A.; Jellison, G. E.; Kolopus, J. A.

2017-05-01

Monovalent alkali halides such as NaI, CsI, and LiI are widely used as inorganic scintillators for radiation detection due to their light yield, the capability for the growth of large single crystals, relatively low cost, and other favorable characteristics. These materials are frequently activated through the addition of small amounts (e.g., a few hundred ppm) of elements such as thallium - or sodium in the case of CsI. The monovalent alkali halide scintillators can also be activated with low concentrations of Eu2+, however Eu activation has previously not been widely employed due to the non-uniform segregation of the divalent Eu dopant that leads to the formation of unwanted phases during Bridgman or other solidification crystal-growth methods. Specifically, for Eu concentrations near and above 0.5%, Suzuki Phase precipitates form in the course of the melt-growth process, and these Suzuki Phase particles scatter the scintillation light. This adversely affects the scintillator performance via reduction in the optical transmission of the material, and depending on the crystal thickness and precipitated-particle concentration, this reduction can occur up to the point of opacity. Here we describe a post-growth process for the removal of Suzuki Phase precipitates from single crystals of the neutron scintillator LiI activated with Eu2+ at concentrations up to and in excess of 3 wt%, and we correlate the resulting neutron-detection performance with the thermal processing methods used to remove the Suzuki Phase particles. The resulting improved scintillator properties using increased Eu activator levels are applicable to neutron imaging and active interrogation systems, and pulse-height gamma-ray spectroscopy rather than pulse-shape discrimination can be used to discriminate between gamma ray and neutron interaction events.

Comprehensive Property Characterization of Nanotube Buckypaper-Reinforced Composite Materials

DTIC Science & Technology

2004-04-01

Kim, S. G., Rinzler, A. G., and Colbert , D. T., "Crystalline Ropes of Metallic Carbon Nanotubes," Science, 1996, Volume 273, No. 5274, pp. 483-487. [7...Nikolaev, P. Bronikowski, M. J., Bradley, R. K., Colbert , D. T., Smith, K. A., and Smalley, R. E., "Gas-phase Catalytic Growth of Single-walled Carbon...Casavant, M. J., Liu, J., Colbert , D. T., Smith, K. A., and Smalley, R. E., "Elastic Strain of Freely Suspended Single-wall Carbon Nanotube Ropes

Synthesis of Multifunctional Materials

DTIC Science & Technology

2006-09-01

temperatures of 600’C and higher, whereas layers grown at lower temperature contained PbO inclusions. Growth of Pb(ZrxTi1 ..)0 3 ( PZT ) films by molecular...beam epitaxy was demonstrated for the first time. Single-crystal, single-phase PZT films were grown on (001) SrTiO3 substrates at a growth temperature...compounds of the PZT system, PbTiO 3 and PbZrO 3, and three-dimensional growth mode for PZT films of intermediate compositions. Epitaxial growth of PbO

"One-sample concept" micro-combinatory for high throughput TEM of binary films.

PubMed

Sáfrán, György

2018-04-01

Phases of thin films may remarkably differ from that of bulk. Unlike to the comprehensive data files of Binary Phase Diagrams [1] available for bulk, complete phase maps for thin binary layers do not exist. This is due to both the diverse metastable, non-equilibrium or instable phases feasible in thin films and the required volume of characterization work with analytical techniques like TEM, SAED and EDS. The aim of the present work was to develop a method that remarkably facilitates the TEM study of the diverse binary phases of thin films, or the creation of phase maps. A micro-combinatorial method was worked out that enables both preparation and study of a gradient two-component film within a single TEM specimen. For a demonstration of the technique thin Mn x Al 1- x binary samples with evolving concentration from x = 0 to x = 1 have been prepared so that the transition from pure Mn to pure Al covers a 1.5 mm long track within the 3 mm diameter TEM grid. The proposed method enables the preparation and study of thin combinatorial samples including all feasible phases as a function of composition or other deposition parameters. Contrary to known "combinatorial chemistry", in which a series of different samples are deposited in one run, and investigated, one at a time, the present micro-combinatorial method produces a single specimen condensing a complete library of a binary system that can be studied, efficiently, within a single TEM session. That provides extremely high throughput for TEM characterization of composition-dependent phases, exploration of new materials, or the construction of phase diagrams of binary films. Copyright © 2018 Elsevier B.V. All rights reserved.

Crystal growth of argyrodite-type phases Cu 8-xGeS 6-xI x and Cu 8-xGeSe 6-xI x (0⩽ x⩽0.8)

NASA Astrophysics Data System (ADS)

Tomm, Yvonne; Schorr, Susan; Fiechter, Sebastian

2008-04-01

The growth of single crystalline argyrodites of type Cu 8-xGeX 6-xY x ( X=S, Se; Y=I) is reported. These materials undergo solid-solid phase transitions at temperatures ranging from 30 to 90 °C. In the high temperature phase, Cu 8GeS 6 crystallizes in the cubic space group F4¯3m. In the low temperature phase, the compound is present in the orthorhombic space group Pmn2 1. Cu 8GeSe 6 appears exclusively in the hexagonal space groups P6 3mc or P6 3cm, respectively. Single crystals of these argyrodites were obtained by chemical vapor transport in a temperature gradient Δ T=980-950 and Δ T=700-620 °C for sulfides and selenides, respectively. As a result of the growth process, the high temperature phase remains stable even at ambient temperature by incorporation of the transport agent iodine during the growth process. As determined by energy dispersive X-ray analysis (EDAX), the composition of the sulfide crystals grown ranges from Cu 8GeS 6 to Cu 7.16GeS 5.16I 0.84. The selenide crystallizes as Cu 7.69GeSe 5.69I 0.31. In contrast, the solid state reaction of the elements Cu, Ge and X produces a material in the low temperature modification with an ideal composition of Cu 8GeX 6.

Processing FeB03 glass-ceramics in space

NASA Technical Reports Server (NTRS)

Li, C. T.

1976-01-01

The possibility of preparing FeBO3 glass-ceramic in space is explored. A transparent glass-ceramic of FeBO3, due to its unique properties could be an excellent material for magneto-optic applications which currently utilize high price materials such as single crystals of Ga-YIG. The unique magneto-optic properties of FeBO3 were found to come from glass-ceramic but not from the glass form. It was anticipated and later confirmed that the FeBO3 glass-ceramics could not be prepared on earth. Phase separation and iron valence reduction, were identified as the two terrestrial manufacturing obstacles. Since the phase separation problem could be overcome by space processing, the preparation of FeBO3 glass-ceramic in space appears attractive.

Conversion of Biowaste Asian Hard Clam (Meretrix lusoria) Shells into White-Emitting Phosphors for Use in Neutral White LEDs.

PubMed

Chang, Tsung-Yuan; Wang, Chih-Min; Lin, Tai-Yuan; Lin, Hsiu-Mei

2016-12-02

The increasing volume and complexity of waste associated with the modern economy poses a serious risk to ecosystems and human health. However, the remanufacturing and recycling of waste into usable products can lead to substantial resource savings. In the present study, clam shell waste was first transformed into pure and well-crystallized single-phase white light-emitting phosphor Ca₉Gd(PO₄)₇:Eu 2+ ,Mn 2+ materials. The phosphor Ca₉Gd(PO₄)₇:Eu 2+ ,Mn 2+ materials were synthesized by the solid-state reaction method and the carbothermic reduction process, and then characterized and analyzed by means of X-ray diffraction (XRD) and photoluminescence (PL) measurements. The structural and luminescent properties of the phosphors were investigated as well. The PL and quantum efficiency measurements showed that the luminescence properties of clam shell-based phosphors were comparable to that of the chemically derived phosphors. Moreover, white light-emitting diodes were fabricated through the integration of 380 nm chips and single-phase white light-emitting phosphors (Ca 0.979 Eu 0.006 Mn 0.015 )₉Gd(PO₄)₇ into a single package of a white light emitting diode (WLED) emitting a neutral white light of 5298 K with color coordinates of (0.337, 0.344).

Conversion of Biowaste Asian Hard Clam (Meretrix lusoria) Shells into White-Emitting Phosphors for Use in Neutral White LEDs

PubMed Central

Chang, Tsung-Yuan; Wang, Chih-Min; Lin, Tai-Yuan; Lin, Hsiu-Mei

2016-01-01

The increasing volume and complexity of waste associated with the modern economy poses a serious risk to ecosystems and human health. However, the remanufacturing and recycling of waste into usable products can lead to substantial resource savings. In the present study, clam shell waste was first transformed into pure and well-crystallized single-phase white light-emitting phosphor Ca9Gd(PO4)7:Eu2+,Mn2+ materials. The phosphor Ca9Gd(PO4)7:Eu2+,Mn2+ materials were synthesized by the solid-state reaction method and the carbothermic reduction process, and then characterized and analyzed by means of X-ray diffraction (XRD) and photoluminescence (PL) measurements. The structural and luminescent properties of the phosphors were investigated as well. The PL and quantum efficiency measurements showed that the luminescence properties of clam shell-based phosphors were comparable to that of the chemically derived phosphors. Moreover, white light-emitting diodes were fabricated through the integration of 380 nm chips and single-phase white light-emitting phosphors (Ca0.979Eu0.006Mn0.015)9Gd(PO4)7 into a single package of a white light emitting diode (WLED) emitting a neutral white light of 5298 K with color coordinates of (0.337, 0.344). PMID:28774101

High-Temperature Proton-Conducting Ceramics Developed

NASA Technical Reports Server (NTRS)

Sayir, Ali; Dynys, Frederick W.; Berger, M. H.

2005-01-01

High-temperature protonic conductors (HTPC) are needed for hydrogen separation, hydrogen sensors, fuel cells, and hydrogen production from fossil fuels. The HTPC materials for hydrogen separation at high temperatures are foreseen to be metal oxides with the perovskite structure A(sup 2+)B(sup 4+)C(sup 2-, sub 3) and with the trivalent cation (M(sup 3+)) substitution at the B(sup 4+)-site to introduce oxygen vacancies. The high affinity for hydrogen ions (H(sup +)) is advantageous for protonic transport, but it increases the reactivity toward water (H2O) and carbon dioxide (CO2), which can lead to premature membrane failure. In addition, there are considerable technological challenges related to the processing of HTPC materials. The high melting point and multi-cation chemistry of HTPC materials creates difficulties in in achieving high-density, single-phase membranes by solid-state sintering. The presence of secondary phases and grain-boundary interfaces are detrimental to the protonic conduction and environmental stability of polycrystalline HTPC materials.

Phases of LiMn1.84V0.06Ti0.1O4 cathode material

NASA Astrophysics Data System (ADS)

Zainol, N. H.; Kamarulzaman, N.; Osman, Z.; Fadzil, A. F. M.; Yahya, N. F.

2017-09-01

In this work, LiMn1.84V0.06Ti0.1O4 was prepared via a combustion method using citric acid as a reductant. The precursor obtained was annealed at 700 °C for 24h in a furnace. The thermal profile of the precursor was obtained by simultaneous thermogravimetric analysis (STA). The observed material was characterized by X-ray Diffraction (XRD) and found to be pure and single-phase of cubic structure. The electrochemical performance of LiMn1.84V0.06Ti0.1O4 cathode material was studied by applying a constant current of 1.0 mA at a voltage range of 4.2 to 2.5 V. The specific capacity of LiMn1.84V0.06Ti0.1O4 cathode material at the 1st cycle shows the value of 95mAh/g which is less than the specific capacity of LiMn2O4, which is 117 mAh/g.

Phase transformation mechanism in lithium manganese nickel oxide revealed by single-crystal hard X-ray microscopy

DOE PAGES

Kuppan, Saravanan; Xu, Yahong; Liu, Yijin; ...

2017-02-01

Understanding the reaction pathway and kinetics of solid-state phase transformation is critical in designing advanced electrode materials with better performance and stability. Despite the first-order phase transition with a large lattice mismatch between the involved phases, spinel LiMn 1.5Ni 0.5O 4 is capable of fast rate even at large particle size, presenting an enigma yet to be understood. The present study uses advanced two-dimensional and three-dimensional nano-tomography on a series of well-formed LixMn 1.5Ni 0.5O 4 (0 ≤ x ≤ 1) crystals to visualize the mesoscale phase distribution, as a function of Li content at the sub-particle level. Inhomogeneity alongmore » with the coexistence of Li-rich and Li-poor phases are broadly observed on partially delithiated crystals, providing direct evidence for a concurrent nucleation and growth process instead of a shrinking-core or a particle-by-particle process. As a result, superior kinetics of (100) facets at the vertices of truncated octahedral particles promote preferential delithiation, whereas the observation of strain-induced cracking suggests mechanical degradation in the material.« less

Spatially resolved texture and microstructure evolution of additively manufactured and gas gun deformed 304L stainless steel investigated by neutron diffraction and electron backscatter diffraction

DOE PAGES

Takajo, Shigehiro; Brown, Donald William; Clausen, Bjorn; ...

2018-04-30

In this study, we report the characterization of a 304L stainless steel cylindrical projectile produced by additive manufacturing. The projectile was compressively deformed using a Taylor Anvil Gas Gun, leading to a huge strain gradient along the axis of the deformed cylinder. Spatially resolved neutron diffraction measurements on the HIgh Pressure Preferred Orientation time-of-flight diffractometer (HIPPO) and Spectrometer for Materials Research at Temperature and Stress diffractometer (SMARTS) beamlines at the Los Alamos Neutron Science CEnter (LANSCE) with Rietveld and single-peak analysis were used to quantitatively evaluate the volume fractions of the α, γ, and ε phases as well as residualmore » strain and texture. The texture of the γ phase is consistent with uniaxial compression, while the α texture can be explained by the Kurdjumov–Sachs relationship from the γ texture after deformation. This indicates that the material first deformed in the γ phase and subsequently transformed at larger strains. The ε phase was only found in volumes close to the undeformed material with a texture connected to the γ texture by the Shoji–Nishiyama orientation relationship. This allows us to conclude that the ε phase occurs as an intermediate phase at lower strain, and is superseded by the α phase when strain increases further. We found a proportionality between the root-mean-squared microstrain of the γ phase, dominated by the dislocation density, with the α volume fraction, consistent with strain-induced martensite α formation. In conclusion, knowledge of the sample volume with the ε phase from the neutron diffraction analysis allowed us to identify the ε phase by electron back scatter diffraction analysis, complementing the neutron diffraction analysis with characterization on the grain level.« less

Spatially resolved texture and microstructure evolution of additively manufactured and gas gun deformed 304L stainless steel investigated by neutron diffraction and electron backscatter diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takajo, Shigehiro; Brown, Donald William; Clausen, Bjorn

In this study, we report the characterization of a 304L stainless steel cylindrical projectile produced by additive manufacturing. The projectile was compressively deformed using a Taylor Anvil Gas Gun, leading to a huge strain gradient along the axis of the deformed cylinder. Spatially resolved neutron diffraction measurements on the HIgh Pressure Preferred Orientation time-of-flight diffractometer (HIPPO) and Spectrometer for Materials Research at Temperature and Stress diffractometer (SMARTS) beamlines at the Los Alamos Neutron Science CEnter (LANSCE) with Rietveld and single-peak analysis were used to quantitatively evaluate the volume fractions of the α, γ, and ε phases as well as residualmore » strain and texture. The texture of the γ phase is consistent with uniaxial compression, while the α texture can be explained by the Kurdjumov–Sachs relationship from the γ texture after deformation. This indicates that the material first deformed in the γ phase and subsequently transformed at larger strains. The ε phase was only found in volumes close to the undeformed material with a texture connected to the γ texture by the Shoji–Nishiyama orientation relationship. This allows us to conclude that the ε phase occurs as an intermediate phase at lower strain, and is superseded by the α phase when strain increases further. We found a proportionality between the root-mean-squared microstrain of the γ phase, dominated by the dislocation density, with the α volume fraction, consistent with strain-induced martensite α formation. In conclusion, knowledge of the sample volume with the ε phase from the neutron diffraction analysis allowed us to identify the ε phase by electron back scatter diffraction analysis, complementing the neutron diffraction analysis with characterization on the grain level.« less

Swept-frequency feedback interferometry using terahertz frequency QCLs: a method for imaging and materials analysis.

PubMed

Rakić, Aleksandar D; Taimre, Thomas; Bertling, Karl; Lim, Yah Leng; Dean, Paul; Indjin, Dragan; Ikonić, Zoran; Harrison, Paul; Valavanis, Alexander; Khanna, Suraj P; Lachab, Mohammad; Wilson, Stephen J; Linfield, Edmund H; Davies, A Giles

2013-09-23

The terahertz (THz) frequency quantum cascade laser (QCL) is a compact source of high-power radiation with a narrow intrinsic linewidth. As such, THz QCLs are extremely promising sources for applications including high-resolution spectroscopy, heterodyne detection, and coherent imaging. We exploit the remarkable phase-stability of THz QCLs to create a coherent swept-frequency delayed self-homodyning method for both imaging and materials analysis, using laser feedback interferometry. Using our scheme we obtain amplitude-like and phase-like images with minimal signal processing. We determine the physical relationship between the operating parameters of the laser under feedback and the complex refractive index of the target and demonstrate that this coherent detection method enables extraction of complex refractive indices with high accuracy. This establishes an ultimately compact and easy-to-implement THz imaging and materials analysis system, in which the local oscillator, mixer, and detector are all combined into a single laser.

Synthesis and structural studies on cerium substituted La0.4Ca0.6MnO3 as solid oxide fuel cell electrode material

NASA Astrophysics Data System (ADS)

Singh, Monika; Kumar, Dinesh; Singh, Akhilesh Kumar

2018-04-01

For solid oxide fuel cell electrode material, calcium doped lanthanum manganite La0.4Ca0.6MnO3 (LCMO) and cerium-incorporated on Ca-site with composition La0.40Ca0.55Ce0.05MnO3 (LCCMO) were synthesized using most feasible and efficient glycine-nitrate method. The formation of crystalline single phase was confirmed by x-ray diffraction (XRD). The Rietveld analysis reveals that both systems crystallize into orthorhombic crystal structure with Pnma space group. Additionally, 8 mole % Y2O3 stabilized ZrO2 (8YSZ) solid electrolyte was also synthesized using high energy ball mill to check the reaction with electrode materials. It was found that the substitution of Ce+4 cations in LCMO perovskite suppressed formation of undesired insulating CaZrO3 phase.

Beyond Atomic Sizes and Hume-Rothery Rules: Understanding and Predicting High-Entropy Alloys

DOE PAGES

Troparevsky, M. Claudia; Morris, James R.; Daene, Markus; ...

2015-09-03

High-entropy alloys constitute a new class of materials that provide an excellent combination of strength, ductility, thermal stability, and oxidation resistance. Although they have attracted extensive attention due to their potential applications, little is known about why these compounds are stable or how to predict which combination of elements will form a single phase. Here, we present a review of the latest research done on these alloys focusing on the theoretical models devised during the last decade. We discuss semiempirical methods based on the Hume-Rothery rules and stability criteria based on enthalpies of mixing and size mismatch. To provide insightsmore » into the electronic and magnetic properties of high-entropy alloys, we show the results of first-principles calculations of the electronic structure of the disordered solid-solution phase based on both Korringa Kohn Rostoker coherent potential approximation and large supercell models of example face-centered cubic and body-centered cubic systems. Furthermore, we discuss in detail a model based on enthalpy considerations that can predict which elemental combinations are most likely to form a single-phase high-entropy alloy. The enthalpies are evaluated via first-principles high-throughput density functional theory calculations of the energies of formation of binary compounds, and therefore it requires no experimental or empirically derived input. Finally, the model correctly accounts for the specific combinations of metallic elements that are known to form single-phase alloys while rejecting similar combinations that have been tried and shown not to be single phase.« less

Microscale solid-state thermal diodes enabling ambient temperature thermal circuits for energy applications.

PubMed

Wang, Song; Cottrill, Anton L; Kunai, Yuichiro; Toland, Aubrey R; Liu, Pingwei; Wang, Wen-Jun; Strano, Michael S

2017-05-24

Thermal diodes, or devices that transport thermal energy asymmetrically, analogous to electrical diodes, hold promise for thermal energy harvesting and conservation, as well as for phononics or information processing. The junction of a phase change material and phase invariant material can form a thermal diode; however, there are limited constituent materials available for a given target temperature, particularly near ambient. In this work, we demonstrate that a micro and nanoporous polystyrene foam can house a paraffin-based phase change material, fused to PMMA, to produce mechanically robust, solid-state thermal diodes capable of ambient operation with Young's moduli larger than 11.5 MPa and 55.2 MPa above and below the melting transition point, respectively. Moreover, the composites show significant changes in thermal conductivity above and below the melting point of the constituent paraffin and rectification that is well-described by our previous theory and the Maxwell-Eucken model. Maximum thermal rectifications range from 1.18 to 1.34. We show that such devices perform reliably enough to operate in thermal diode bridges, dynamic thermal circuits capable of transforming oscillating temperature inputs into single polarity temperature differences - analogous to an electrical diode bridge with widespread implications for transient thermal energy harvesting and conservation. Overall, our approach yields mechanically robust, solid-state thermal diodes capable of engineering design from a mathematical model of phase change and thermal transport, with implications for energy harvesting.

Static SPME sampling of VOCs emitted from indoor building materials: prediction of calibration curves of single compounds for two different emission cells.

PubMed

Mocho, Pierre; Desauziers, Valérie

2011-05-01

Solid-phase microextraction (SPME) is a powerful technique, easy to implement for on-site static sampling of indoor VOCs emitted by building materials. However, a major constraint lies in the establishment of calibration curves which requires complex generation of standard atmospheres. Thus, the purpose of this paper is to propose a model to predict adsorption kinetics (i.e., calibration curves) of four model VOCs. The model is based on Fick's laws for the gas phase and on the equilibrium or the solid diffusion model for the adsorptive phase. Two samplers (the FLEC® and a home-made cylindrical emission cell), coupled to SPME for static sampling of material emissions, were studied. A good agreement between modeling and experimental data is observed and results show the influence of sampling rate on mass transfer mode in function of sample volume. The equilibrium model is adapted to quite large volume sampler (cylindrical cell) while the solid diffusion model is dedicated to small volume sampler (FLEC®). The limiting steps of mass transfer are the diffusion in gas phase for the cylindrical cell and the pore surface diffusion for the FLEC®. In the future, this modeling approach could be a useful tool for time-saving development of SPME to study building material emission in static mode sampling.

Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

2016-01-01

Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.

Magnetic properties of mechanically alloyed Mn-Al-C powders

NASA Astrophysics Data System (ADS)

Kohmoto, O.; Kageyama, N.; Kageyama, Y.; Haji, H.; Uchida, M.; Matsushima, Y.

2011-01-01

We have prepared supersaturated-solution Mn-Al-C alloy powders by mechanical alloying using a planetary high-energy mill. The starting materials were pure Mn, Al and C powers. The mechanically-alloyed powders were subjected to a two-step heating. Although starting particles are Al and Mn with additive C, the Al peak disappears with MA time. With increasing MA time, transition from α-Mn to β-Mn does not occur; the α-Mn structure maintains. At 100 h, a single phase of supersaturated-solution α-Mn is obtained. The lattice constant of α-Mn decreases with increasing MA time. From the Scherrer formula, the crystallite size at 500 h is obtained as 200Å, which does not mean amorphous state. By two-step heating, high magnetization (66 emu/g) was obtained from short-time-milled powders (t=10 h). The precursor of the as-milled powder is not a single phase α-Mn but contains small amount of fcc Al. After two-step heating, the powder changes to τ-phase. Although the saturation magnetization increases, the value is less than that by conventional bulk MnAl (88 emu/g). Meanwhile, long-time-milled powder of single α-Mn phase results in low magnetization (5.2 emu/g) after two-step heating.

Study of lanthanum aluminate for cost effective electrolyte material for SOFC

NASA Astrophysics Data System (ADS)

Verma, O. N.; Shahi, A. K.; Singh, P.

2018-05-01

The perovskite type electrolyte material LaAlO3 (abbreviated LAO) has been prepared by easy processing of auto-combustion synthesis using lanthanum nitrate and aluminium nitrate salts as precursors and citric acid as the fuel. The XRD analysis reveals that as synthesized material exhibits only single phase having rhombohedral structure. The measured density and theoretical density have been deliberated. The temperature dependent electrical conductivity of LAO increases with increasing the temperature which leads to increased mobility of oxide ion. The major contribution of such a significant value of ionic conductivity of LAO can be inferred to grain boundary resistance.

Graphene-based materials: fabrication and application for adsorption in analytical chemistry.

PubMed

Wang, Xin; Liu, Bo; Lu, Qipeng; Qu, Qishu

2014-10-03

Graphene, a single layer of carbon atoms densely packed into a honeycomb crystal lattice with unique electronic, chemical, and mechanical properties, is the 2D allotrope of carbon. Owing to the remarkable properties, graphene and graphene-based materials are likely to find potential applications as a sorbent in analytical chemistry. The current review focuses predominantly on the recent development of graphene-based materials and demonstrates their enhanced performance in adsorption of organic compounds, metal ions, and solid phase extraction as well as in separation science since mostly 2012. Copyright © 2014 Elsevier B.V. All rights reserved.

Heat capacity of high-purity lanthanum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, P.H.; Finnemore, D.K.; Bevolo, A.J.

1980-04-01

A study of the specific heat of high-purity single-phase dhcp La shows that this material is an intrinsic type-II superconductor with a kappa of about 2.4. The temperature dependence of the free energy is characteristic of an intermediate coupling superconductor with 2..delta../k/sub B/T/sub c/ approx. = 3.7.

Nanocellulose Fragmentation Mechanisms and Inversion of Chirality from the Single Particle to the Cholesteric Phase.

PubMed

Nyström, Gustav; Arcari, Mario; Adamcik, Jozef; Usov, Ivan; Mezzenga, Raffaele

2018-05-22

Understanding how nanostructure and nanomechanics influence physical material properties on the micro- and macroscale is an essential goal in soft condensed matter research. Mechanisms governing fragmentation and chirality inversion of filamentous colloids are of specific interest because of their critical role in load-bearing and self-organizing functionalities of soft nanomaterials. Here we provide a fundamental insight into the self-organization across several length scales of nanocellulose, an important biocolloid system with wide-ranging applications as structural, insulating, and functional material. Through a combined microscopic and statistical analysis of nanocellulose fibrils at the single particle level, we show how mechanically and chemically induced fragmentations proceed in this system. Moreover, by studying the bottom-up self-assembly of fragmented carboxylated cellulose nanofibrils into cholesteric liquid crystals, we show via direct microscopic observations that the chirality is inverted from right-handed at the nanofibril level to left-handed at the level of the liquid crystal phase. These results improve our fundamental understanding of nanocellulose and provide an important rationale for its application in colloidal systems, liquid crystals, and nanomaterials.

A method for the preparation of curcumin by ultrasonic-assisted ammonium sulfate/ethanol aqueous two phase extraction.

PubMed

Xu, Guangkuan; Hao, Changchun; Tian, Suyang; Gao, Feng; Sun, Wenyuan; Sun, Runguang

2017-01-15

This study investigated a new and easy-to-industrialized extracting method for curcumin from Curcuma longa rhizomes using ultrasonic extraction technology combined with ammonium sulfate/ethanol aqueous two-phase system (ATPS), and the preparation of curcumin using the semi-preparative HPLC. The single-factor experiments and response surface methodology (RSM) were utilized to determine the optimal material-solvent ratio, ultrasonic intensity (UI) and ultrasonic time. The optimum extraction conditions were finally determined to be material-solvent rate of 3.29:100, ultrasonic intensity of 33.63W/cm 2 and ultrasonic time of 17min. At these optimum conditions, the extraction yield could reach 46.91mg/g. And the extraction yields of curcumin remained stable in the case of amplification, which indicated that scale-up extraction was feasible and efficient. Afterwards, the semi-preparative HPLC experiment was carried out, in which optimal preparation conditions were elected according to the single factor experiment. The prepared curcumin was obtained and the purity could up to 85.58% by the semi-preparative HPLC. Copyright © 2016 Elsevier B.V. All rights reserved.

Synthesis and characterization of barium silicide (BaSi2) nanowire arrays for potential solar applications.

PubMed

Pokhrel, Ankit; Samad, Leith; Meng, Fei; Jin, Song

2015-11-07

In order to utilize nanostructured materials for potential solar and other energy-harvesting applications, scalable synthetic techniques for these materials must be developed. Herein we use a vapor phase conversion approach to synthesize nanowire (NW) arrays of semiconducting barium silicide (BaSi2) in high yield for the first time for potential solar applications. Dense arrays of silicon NWs obtained by metal-assisted chemical etching were converted to single-crystalline BaSi2 NW arrays by reacting with Ba vapor at about 930 °C. Structural characterization by X-ray diffraction and high-resolution transmission electron microscopy confirm that the converted NWs are single-crystalline BaSi2. The optimal conversion reaction conditions allow the phase-pure synthesis of BaSi2 NWs that maintain the original NW morphology, and tuning the reaction parameters led to a controllable synthesis of BaSi2 films on silicon substrates. The optical bandgap and electrochemical measurements of these BaSi2 NWs reveal a bandgap and carrier concentrations comparable to previously reported values for BaSi2 thin films.

Three-dimensional Aerographite-GaN hybrid networks: Single step fabrication of porous and mechanically flexible materials for multifunctional applications

PubMed Central

Schuchardt, Arnim; Braniste, Tudor; Mishra, Yogendra K.; Deng, Mao; Mecklenburg, Matthias; Stevens-Kalceff, Marion A.; Raevschi, Simion; Schulte, Karl; Kienle, Lorenz; Adelung, Rainer; Tiginyanu, Ion

2015-01-01

Three dimensional (3D) elastic hybrid networks built from interconnected nano- and microstructure building units, in the form of semiconducting-carbonaceous materials, are potential candidates for advanced technological applications. However, fabrication of these 3D hybrid networks by simple and versatile methods is a challenging task due to the involvement of complex and multiple synthesis processes. In this paper, we demonstrate the growth of Aerographite-GaN 3D hybrid networks using ultralight and extremely porous carbon based Aerographite material as templates by a single step hydride vapor phase epitaxy process. The GaN nano- and microstructures grow on the surface of Aerographite tubes and follow the network architecture of the Aerographite template without agglomeration. The synthesized 3D networks are integrated with the properties from both, i.e., nanoscale GaN structures and Aerographite in the form of flexible and semiconducting composites which could be exploited as next generation materials for electronic, photonic, and sensors applications. PMID:25744694

Mechanochemical synthesis of high thermoelectric performance bulk Cu 2X (X = S, Se) materials

DOE PAGES

Yang, Dongwang; Su, Xianli; Yan, Yonggao; ...

2016-11-01

We devised a single-step mechanochemical synthesis/densification procedure for Cu 2X (X = S, Se) thermoelectric materials via applying a pressure of 3 GPa to a stoichiometric admixture of elemental Cu and X for 3 min at room temperature. The obtained bulk materials were single-phase, nearly stoichiometric structures with a relative packing density of 97% or higher. The structures contained high concentration of atomic scale defects and pores of 20-200 nm diameter. The above attributes gave rise to a high thermoelectric performance: at 873 K, the ZT value of Cu2S reached 1.07, about 2.1 times the value typical of samples grownmore » from the melt. The ZT value of Cu 2Se samples reached in excess of 1.2, close to the state-of-the-art value.« less

Photoelectrochemical fabrication of spectroscopic diffraction gratings, phase 2

NASA Technical Reports Server (NTRS)

Rauh, R. David; Carrabba, Michael M.; Li, Jianguo; Cartland, Robert F.; Hachey, John P.; Mathew, Sam

1990-01-01

This program was directed toward the production of Echelle diffraction gratings by a light-driven, electrochemical etching technique (photoelectrochemical etching). Etching is carried out in single crystal materials, and the differential rate of etching of the different crystallographic planes used to define the groove profiles. Etching of V-groove profiles was first discovered by us during the first phase of this project, which was initially conceived as a general exploration of photoelectrochemical etching techniques for grating fabrication. This highly controllable V-groove etching process was considered to be of high significance for producing low pitch Echelles, and provided the basis for a more extensive Phase 2 investigation.

Synthesis of alloys with controlled phase structure

DOEpatents

Guthrie, Stephen Everett; Thomas, George John; Bauer, Walter; Yang, Nancy Yuan Chi

1999-04-20

A method for preparing controlled phase alloys useful for engineering and hydrogen storage applications. This novel method avoids melting the constituents by employing vapor transport, in a hydrogen atmosphere, of an active metal constituent, having a high vapor pressure at temperatures .apprxeq.300 C. and its subsequent condensation on and reaction with the other constituent (substrate) of an alloy thereby forming a controlled phase alloy and preferably a single phase alloy. It is preferred that the substrate material be a metal powder such that diffusion of the active metal constituent, preferably magnesium, and reaction therewith can be completed within a reasonable time and at temperatures .apprxeq.300 C. thereby avoiding undesirable effects such as sintering, local compositional inhomogeneities, segregation, and formation of unwanted second phases such as intermetallic compounds.

Synthesis of alloys with controlled phase structure

DOEpatents

Guthrie, S.E.; Thomas, G.J.; Bauer, W.; Yang, N.Y.C.

1999-04-20

A method is described for preparing controlled phase alloys useful for engineering and hydrogen storage applications. This novel method avoids melting the constituents by employing vapor transport, in a hydrogen atmosphere, of an active metal constituent, having a high vapor pressure at temperatures {approx_equal}300 C and its subsequent condensation on and reaction with the other constituent (substrate) of an alloy thereby forming a controlled phase alloy and preferably a single phase alloy. It is preferred that the substrate material be a metal powder such that diffusion of the active metal constituent, preferably magnesium, and reaction therewith can be completed within a reasonable time and at temperatures {approx_equal}300 C thereby avoiding undesirable effects such as sintering, local compositional inhomogeneities, segregation, and formation of unwanted second phases such as intermetallic compounds. 4 figs.

Experiments on Nucleation in Different Flow Regimes

NASA Technical Reports Server (NTRS)

Bayuzick, R. J.; Hofmeister, W. H.; Morton, C. M.; Robinson, M. B.

1999-01-01

The vast majority of metallic engineering materials are solidified from the liquid phase. Understanding the solidification process is essential to control microstructure, which in turn, determines the properties of materials. The genesis of solidification is nucleation, where the first stable solid forms from the liquid phase. Nucleation kinetics determine the degree of undercooling and phase selection. As such, it is important to understand nucleation phenomena in order to control solidification or glass formation in metals and alloys. Early experiments in nucleation kinetics were accomplished by droplet dispersion methods. Dilatometry was used by Turnbull and others, and more recently differential thermal analysis and differential scanning calorimetry have been used for kinetic studies. These techniques have enjoyed success; however, there are difficulties with these experiments. Since materials are dispersed in a medium, the character of the emulsion/metal interface affects the nucleation behavior. Statistics are derived from the large number of particles observed in a single experiment, but dispersions have a finite size distribution which adds to the uncertainty of the kinetic determinations. Even though temperature can be controlled quite well before the onset of nucleation, the release of the latent heat of fusion during nucleation of particles complicates the assumption of isothermality during these experiments. Containerless processing has enabled another approach to the study of nucleation kinetics. With levitation techniques it is possible to undercool one sample to nucleation repeatedly in a controlled manner, such that the statistics of the nucleation process can be derived from multiple experiments on a single sample. The authors have fully developed the analysis of nucleation experiments on single samples following the suggestions of Skripov. The advantage of these experiments is that the samples are directly observable. The nucleation temperature can be measured by noncontact optical pyrometry, the mass of the sample is known, and post processing analysis can be conducted on the sample. The disadvantages are that temperature measurement must have exceptionally high precision, and it is not possible to isolate specific heterogeneous sites as in droplet dispersions.

Preliminary Phase Field Computational Model Development

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang Y.; Xu, Ke

2014-12-15

This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus ofmore » the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in experiments, special experimental methods were devised to create similar boundary conditions in the iron films. Preliminary MFM studies conducted on single and polycrystalline iron films with small sub-areas created with focused ion beam have correlated quite well qualitatively with phase-field simulations. However, phase-field model dimensions are still small relative to experiments thus far. We are in the process of increasing the size of the models and decreasing specimen size so both have identical dimensions. Ongoing research is focused on validation of the phase-field model. Validation is being accomplished through comparison with experimentally obtained MFM images (in progress), and planned measurements of major hysteresis loops and first order reversal curves. Extrapolation of simulation sizes to represent a more stochastic bulk-like system will require sampling of various simulations (i.e., with single non-magnetic defect, single magnetic defect, single grain boundary, single dislocation, etc.) with distributions of input parameters. These outputs can then be compared to laboratory magnetic measurements and ultimately to simulate magnetic Barkhausen noise signals.« less

Two-step fabrication of single-layer rectangular SnSe flakes

NASA Astrophysics Data System (ADS)

Jiang, Jizhou; Wong, Calvin Pei Yu; Zou, Jing; Li, Shisheng; Wang, Qixing; Chen, Jianyi; Qi, Dianyu; Wang, Hongyu; Eda, Goki; Chua, Daniel H. C.; Shi, Yumeng; Zhang, Wenjing; Thye Shen Wee, Andrew

2017-06-01

Recent findings about ultrahigh thermoelectric performances in SnSe single crystals have stimulated research on this binary semiconductor material. Furthermore, single-layer SnSe is an interesting analogue of phosphorene, with potential applications in two-dimensional (2D) nanoelectronics. Although significant advances in the synthesis of SnSe nanocrystals have been made, fabrication of well-defined large-sized single-layer SnSe flakes in a facile way still remains a challenge. The growth of single-layer rectangular SnSe flakes with a thickness of ~6.8 Å and lateral dimensions of about 30 µm  ×  50 µm is demonstrated by a two-step synthesis method, where bulk rectangular SnSe flakes were synthesized first by a vapor transport deposition method followed by a nitrogen etching technique to fabricate single-layer rectangular SnSe flakes in an atmospheric pressure system. The as-obtained rectangular SnSe flakes exhibited a pure crystalline phase oriented along the a-axis direction. Field-effect transistor devices fabricated on individual single-layer rectangular SnSe flakes using gold electrodes exhibited p-doped ambipolar behavior and a hole mobility of about 0.16 cm2 V-1 s-1. This two-step fabrication method can be helpful for growing other similar 2D large-sized single-layer materials.

Electric-field control of tri-state phase transformation with a selective dual-ion switch

NASA Astrophysics Data System (ADS)

Lu, Nianpeng; Zhang, Pengfei; Zhang, Qinghua; Qiao, Ruimin; He, Qing; Li, Hao-Bo; Wang, Yujia; Guo, Jingwen; Zhang, Ding; Duan, Zheng; Li, Zhuolu; Wang, Meng; Yang, Shuzhen; Yan, Mingzhe; Arenholz, Elke; Zhou, Shuyun; Yang, Wanli; Gu, Lin; Nan, Ce-Wen; Wu, Jian; Tokura, Yoshinori; Yu, Pu

2017-06-01

Materials can be transformed from one crystalline phase to another by using an electric field to control ion transfer, in a process that can be harnessed in applications such as batteries, smart windows and fuel cells. Increasing the number of transferrable ion species and of accessible crystalline phases could in principle greatly enrich material functionality. However, studies have so far focused mainly on the evolution and control of single ionic species (for example, oxygen, hydrogen or lithium ions). Here we describe the reversible and non-volatile electric-field control of dual-ion (oxygen and hydrogen) phase transformations, with associated electrochromic and magnetoelectric effects. We show that controlling the insertion and extraction of oxygen and hydrogen ions independently of each other can direct reversible phase transformations among three different material phases: the perovskite SrCoO3-δ (ref. 12), the brownmillerite SrCoO2.5 (ref. 13), and a hitherto-unexplored phase, HSrCoO2.5. By analysing the distinct optical absorption properties of these phases, we demonstrate selective manipulation of spectral transparency in the visible-light and infrared regions, revealing a dual-band electrochromic effect that could see application in smart windows. Moreover, the starkly different magnetic and electric properties of the three phases—HSrCoO2.5 is a weakly ferromagnetic insulator, SrCoO3-δ is a ferromagnetic metal, and SrCoO2.5 is an antiferromagnetic insulator—enable an unusual form of magnetoelectric coupling, allowing electric-field control of three different magnetic ground states. These findings open up opportunities for the electric-field control of multistate phase transformations with rich functionalities.

Preliminary results for mask metrology using spatial heterodyne interferometry

NASA Astrophysics Data System (ADS)

Bingham, Philip R.; Tobin, Kenneth; Bennett, Marylyn H.; Marmillion, Pat

2003-12-01

Spatial heterodyne interferometry (SHI) is an imaging technique that captures both the phase and amplitude of a complex wavefront in a single high-speed image. This technology was developed at the Oak Ridge National Laboratory (ORNL) and is currently being implemented for semiconductor wafer inspection by nLine Corporation. As with any system that measures phase, metrology and inspection of surface structures is possible by capturing a wavefront reflected from the surface. The interpretation of surface structure heights for metrology applications can become very difficult with the many layers of various materials used on semiconductor wafers, so inspection (defect detection) has been the primary focus for semiconductor wafers. However, masks used for photolithography typically only contain a couple well-defined materials opening the doors to high-speed mask metrology in 3 dimensions in addition to inspection. Phase shift masks often contain structures etched out of the transparent substrate material for phase shifting. While these structures are difficult to inspect using only intensity, the phase and amplitude images captured with SHI can produce very good resolution of these structures. The phase images also provide depth information that is crucial for these phase shift regions. Preliminary testing has been performed to determine the feasibility of SHI for high-speed non-contact mask metrology using a prototype SHI system with 532 nm wavelength illumination named the Visible Alpha Tool (VAT). These results show that prototype SHI system is capable of performing critical dimension measurements on 400nm lines with a repeatability of 1.4nm and line height measurements with a repeatability of 0.26nm. Additionally initial imaging of an alternating aperture phase shift mask has shown the ability of SHI to discriminate between typical phase shift heights.

Chalcogenide phase-change thin films used as grayscale photolithography materials.

PubMed

Wang, Rui; Wei, Jingsong; Fan, Yongtao

2014-03-10

Chalcogenide phase-change thin films are used in many fields, such as optical information storage and solid-state memory. In this work, we present another application of chalcogenide phase-change thin films, i.e., as grayscale photolithgraphy materials. The grayscale patterns can be directly inscribed on the chalcogenide phase-change thin films by a single process through direct laser writing method. In grayscale photolithography, the laser pulse can induce the formation of bump structure, and the bump height and size can be precisely controlled by changing laser energy. Bumps with different height and size present different optical reflection and transmission spectra, leading to the different gray levels. For example, the continuous-tone grayscale images of lifelike bird and cat are successfully inscribed onto Sb(2)Te(3) chalcogenide phase-change thin films using a home-built laser direct writer, where the expression and appearance of the lifelike bird and cat are fully presented. This work provides a way to fabricate complicated grayscale patterns using laser-induced bump structures onto chalcogenide phase-change thin films, different from current techniques such as photolithography, electron beam lithography, and focused ion beam lithography. The ability to form grayscale patterns of chalcogenide phase-change thin films reveals many potential applications in high-resolution optical images for micro/nano image storage, microartworks, and grayscale photomasks.

High-throughput search for new permanent magnet materials.

PubMed

Goll, D; Loeffler, R; Herbst, J; Karimi, R; Schneider, G

2014-02-12

The currently highest-performance Fe-Nd-B magnets show limited cost-effectiveness and lifetime due to their rare-earth (RE) content. The demand for novel hard magnetic phases with more widely available RE metals, reduced RE content or, even better, completely free of RE metals is therefore tremendous. The chances are that such materials still exist given the large number of as yet unexplored alloy systems. To discover such phases, an elaborate concept is necessary which can restrict and prioritize the search field while making use of efficient synthesis and analysis methods. It is shown that an efficient synthesis of new phases using heterogeneous non-equilibrium diffusion couples and reaction sintering is possible. Quantitative microstructure analysis of the domain pattern of the hard magnetic phases can be used to estimate the intrinsic magnetic parameters (saturation polarization from the domain contrast, anisotropy constant from the domain width, Curie temperature from the temperature dependence of the domain contrast). The probability of detecting TM-rich phases for a given system is high, therefore the approach enables one to scan through even higher component systems with one single sample. The visualization of newly occurring hard magnetic phases via their typical domain structure and the correlation existing between domain structure and intrinsic magnetic properties allows an evaluation of the industrial relevance of these novel phases.

Structure and transport properties of a plastic crystal ion conductor: diethyl(methyl)(isobutyl)phosphonium hexafluorophosphate.

PubMed

Jin, Liyu; Nairn, Kate M; Forsyth, Craig M; Seeber, Aaron J; MacFarlane, Douglas R; Howlett, Patrick C; Forsyth, Maria; Pringle, Jennifer M

2012-06-13

Understanding the ion transport behavior of organic ionic plastic crystals (OIPCs) is crucial for their potential application as solid electrolytes in various electrochemical devices such as lithium batteries. In the present work, the ion transport mechanism is elucidated by analyzing experimental data (single-crystal XRD, multinuclear solid-state NMR, DSC, ionic conductivity, and SEM) as well as the theoretical simulations (second moment-based solid static NMR line width simulations) for the OIPC diethyl(methyl)(isobutyl)phosphonium hexafluorophosphate ([P(1,2,2,4)][PF(6)]). This material displays rich phase behavior and advantageous ionic conductivities, with three solid-solid phase transitions and a highly "plastic" and conductive final solid phase in which the conductivity reaches 10(-3) S cm(-1). The crystal structure shows unique channel-like packing of the cations, which may allow the anions to diffuse more easily than the cations at lower temperatures. The strongly phase-dependent static NMR line widths of the (1)H, (19)F, and (31)P nuclei in this material have been well simulated by different levels of molecular motions in different phases. Thus, drawing together of the analytical and computational techniques has allowed the construction of a transport mechanism for [P(1,2,2,4)][PF(6)]. It is also anticipated that utilization of these techniques will allow a more detailed understanding of the transport mechanisms of other plastic crystal electrolyte materials.

Process for fabricating polycrystalline semiconductor thin-film solar cells, and cells produced thereby

DOEpatents

Wu, Xuanzhi; Sheldon, Peter

2000-01-01

A novel, simplified method for fabricating a thin-film semiconductor heterojunction photovoltaic device includes initial steps of depositing a layer of cadmium stannate and a layer of zinc stannate on a transparent substrate, both by radio frequency sputtering at ambient temperature, followed by the depositing of dissimilar layers of semiconductors such as cadmium sulfide and cadmium telluride, and heat treatment to convert the cadmium stannate to a substantially single-phase material of a spinel crystal structure. Preferably, the cadmium sulfide layer is also deposited by radio frequency sputtering at ambient temperature, and the cadmium telluride layer is deposited by close space sublimation at an elevated temperature effective to convert the amorphous cadmium stannate to the polycrystalline cadmium stannate with single-phase spinel structure.

Effect of synthesis methods on the Ca{sub 3}Co{sub 4}O{sub 9} thermoelectric ceramic performances

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sotelo, A.; Rasekh, Sh.; Torres, M.A.

2015-01-15

Three different synthesis methods producing nanometric grain sizes, coprecipitation with ammonium carbonate, oxalic acid, and by attrition milling have been studied to produce Ca{sub 3}Co{sub 4}O{sub 9} ceramics and compared with the classical solid state route. These three processes have produced high reactive precursors and all the organic material and CaCO{sub 3}·have been decomposed in a single thermal treatment. Coprecipitation leads to pure Ca{sub 3}Co{sub 4}O{sub 9} phase, while attrition milling and classical solid state produce small amounts of Ca{sub 3}Co{sub 2}O{sub 6} secondary phase. Power factor values are similar for all three samples, being slightly lower for the onesmore » produced by attrition milling. These values are much higher than the obtained in samples prepared by the classical solid state method, used as reference. The maximum power factor values determined at 800 °C (∼0.43 mW/K{sup 2} m) are slightly higher than the best reported values obtained in textured ones which also show much higher density values. - Graphical abstract: Impressive raise of PF in Ca{sub 3}Co{sub 4}O{sub 9} thermoelectric materials obtained from nanometric grains. - Highlights: • Ca{sub 3}Co{sub 4}O{sub 9} has been produced by four different methods. • Precursors particle sizes influences on the final performances. • Coprecipitation methods produce single Ca{sub 3}Co{sub 4}O{sub 9} phase. • Power factor reaches values comparable to high density textured materials.« less

Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃

DOE PAGES

Yue, Ji-Li; Zhou, Yong-Ning; Shi, Si-Qi; ...

2015-03-06

The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic Fe₂(MoO₄)₃ electrode, two distinct guest ion occupation paths, namely discrete one for Li and pseudo-continuous one for Na, as well as their relationship with single-phase and two-phase modes for Na⁺ and Li⁺, respectively during the intercalation/deintercalation process have been demonstrated. For the first time, the direct atomic-scale observation of biphasic domains (discrete occupation) in partially lithiated Fe₂(MoO₄)₃ and the one by one Na occupation (pseudo-continuous occupation) at 8d sites inmore » partially sodiated Fe₂(MoO₄)₃ are obtained during the discharge processes of Li/Fe₂(MoO₄)₃ and Na/Fe₂(MoO₄)₃ cells respectively. Our combined experimental and theoretical studies bring the new insights for the research and development of intercalation compounds as electrode materials for secondary batteries.« less

Solvent effects and polymorphic transformation of organic nonlinear optical crystal L-pyroglutamic acid in solution growth processes . I. Solvent effects and growth morphology

NASA Astrophysics Data System (ADS)

Wang, W. S.; Aggarwal, M. D.; Choi, J.; Gebre, T.; Shields, Angela D.; Penn, Benjamin G.; Frazier, Donald O.

1999-03-01

Single crystals of a new promising nonlinear optical material for the tunable UV harmonic generation, L-pyroglutamic acid 60×20×20 mm 3 in size were obtained from aqueous solution by using the temperature-lowering method. Solubility of L-pyroglutamic acid in different solvents was measured. The single crystals showed different morphological characteristics and growth rate in different solvents with different crystallographic orientations. Methanol or ethanol solutions yielded needle-like crystals. In mixed solution such as methanol/H 2O or ethanol/ H 2O plate-like crystals with a thickness in the direction [0 1 0] were observed. The water as a good solvent, however, produced long prism-like crystals. The two polymorphs of L-pyroglutamic acid (α and β phases) were found for the first time. The growth shapes of α-phase is mainly a prism and β phases is a rhombic plate.The growth rate of α and β phases is mainly a function of the supersaturation of the L-pyroglutamic acid in solution.

A time-dependent order parameter for ultrafast photoinduced phase transitions.

PubMed

Beaud, P; Caviezel, A; Mariager, S O; Rettig, L; Ingold, G; Dornes, C; Huang, S-W; Johnson, J A; Radovic, M; Huber, T; Kubacka, T; Ferrer, A; Lemke, H T; Chollet, M; Zhu, D; Glownia, J M; Sikorski, M; Robert, A; Wadati, H; Nakamura, M; Kawasaki, M; Tokura, Y; Johnson, S L; Staub, U

2014-10-01

Strongly correlated electron systems often exhibit very strong interactions between structural and electronic degrees of freedom that lead to complex and interesting phase diagrams. For technological applications of these materials it is important to learn how to drive transitions from one phase to another. A key question here is the ultimate speed of such phase transitions, and to understand how a phase transition evolves in the time domain. Here we apply time-resolved X-ray diffraction to directly measure the changes in long-range order during ultrafast melting of the charge and orbitally ordered phase in a perovskite manganite. We find that although the actual change in crystal symmetry associated with this transition occurs over different timescales characteristic of the many electronic and vibrational coordinates of the system, the dynamics of the phase transformation can be well described using a single time-dependent 'order parameter' that depends exclusively on the electronic excitation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nesterova, E.V.; Bouvier, S.; Bacroix, B.

Transmission electron microscopy (TEM) microstructures of a high-strength dual-phase steel DP800 have been examined after moderate plastic deformations in simple shear and uniaxial tension. Special attention has been paid to the effect of the intergranular hard phase (martensite) on the microstructure evolution in the near-grain boundary regions. Quantitative parameters of dislocation patterning have been determined and compared with the similar characteristics of previously examined single-phase steels. The dislocation patterning in the interiors of the ferrite grains in DP800 steel is found to be similar to that already observed in the single-phase IF (Interstitial Free) steel whereas the martensite-affected zones presentmore » a delay in patterning and display very high gradients of continuous (gradual) disorientations associated with local internal stresses. The above stresses are shown to control the work-hardening of dual-phase materials at moderate strains for monotonic loading and are assumed to influence their microstructure evolution and mechanical behavior under strain-path changes. - Highlights: • The microstructure evolution has been studied by TEM in a DP800 steel. • It is influenced by both martensite and dislocations in the initial state. • The DP800 steel presents a high work-hardening rate due to internal stresses.« less

Ferroelastic domain structure and phase transition in single-crystalline [PbZn 1/3Nb 2/3O 3] 1-x[PbTiO 3] x observed via in situ x-ray microbeam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tao; Du, Zehui; Tamura, Nobumichi

(1-x)Pb(Zn 1/3Nb 2/3)O 3-xPbTiO 3 ((1-x)PZN-xPT in short) is one of the most important piezoelectric materials. In this study, we extensively investigated (1-x)PZN-xPT (x = 0.07–0.11) ferroelectric single crystals using in-situ synchrotron μXRD, complemented by TEM and PFM, to correlate microstructures with phase transitions. The results reveal that (i) at 25°C, the equilibrium state of (1-x)PZN-xPT is a metastable orthorhombic phase for x = 0.07 and 0.08, while it shows coexistence of orthorhombic and tetragonal phases for x = 0.09 and x = 0.11, with all ferroelectric phases accompanied by ferroelastic domains; (ii) upon heating, the phase transformation in xmore » = 0.07 is Orthorhombic → Monoclinic → Tetragonal → Cubic. The coexistence of ferroelectric tetragonal and paraelectric cubic phases was in-situ observed in x = 0.08 above Curie temperature (T C), and (iii) phase transition can be explained by the evolution of the ferroelectric and ferroelastic domains. These results disclose that (1-x)PZN-xPT are in an unstable regime, which is possible factor for its anomalous dielectric response and high piezoelectric coefficient.« less

Ferroelastic domain structure and phase transition in single-crystalline [PbZn 1/3Nb 2/3O 3] 1-x[PbTiO 3] x observed via in situ x-ray microbeam

DOE PAGES

Li, Tao; Du, Zehui; Tamura, Nobumichi; ...

2017-11-10

(1-x)Pb(Zn 1/3Nb 2/3)O 3-xPbTiO 3 ((1-x)PZN-xPT in short) is one of the most important piezoelectric materials. In this study, we extensively investigated (1-x)PZN-xPT (x = 0.07–0.11) ferroelectric single crystals using in-situ synchrotron μXRD, complemented by TEM and PFM, to correlate microstructures with phase transitions. The results reveal that (i) at 25°C, the equilibrium state of (1-x)PZN-xPT is a metastable orthorhombic phase for x = 0.07 and 0.08, while it shows coexistence of orthorhombic and tetragonal phases for x = 0.09 and x = 0.11, with all ferroelectric phases accompanied by ferroelastic domains; (ii) upon heating, the phase transformation in xmore » = 0.07 is Orthorhombic → Monoclinic → Tetragonal → Cubic. The coexistence of ferroelectric tetragonal and paraelectric cubic phases was in-situ observed in x = 0.08 above Curie temperature (T C), and (iii) phase transition can be explained by the evolution of the ferroelectric and ferroelastic domains. These results disclose that (1-x)PZN-xPT are in an unstable regime, which is possible factor for its anomalous dielectric response and high piezoelectric coefficient.« less

Gelfand-type problem for two-phase porous media

PubMed Central

Gordon, Peter V.; Moroz, Vitaly

2014-01-01

We consider a generalization of the Gelfand problem arising in Frank-Kamenetskii theory of thermal explosion. This generalization is a natural extension of the Gelfand problem to two-phase materials, where, in contrast to the classical Gelfand problem which uses a single temperature approach, the state of the system is described by two different temperatures. We show that similar to the classical Gelfand problem the thermal explosion occurs exclusively owing to the absence of stationary temperature distribution. We also show that the presence of interphase heat exchange delays a thermal explosion. Moreover, we prove that in the limit of infinite heat exchange between phases the problem of thermal explosion in two-phase porous media reduces to the classical Gelfand problem with renormalized constants. PMID:24611025

Broad Wavelength Tunable Robust Lasing from Single-Crystal Nanowires of Cesium Lead Halide Perovskites (CsPbX3, X = Cl, Br, I).

PubMed

Fu, Yongping; Zhu, Haiming; Stoumpos, Constantinos C; Ding, Qi; Wang, Jue; Kanatzidis, Mercouri G; Zhu, Xiaoyang; Jin, Song

2016-08-23

Lead halide perovskite nanowires (NWs) are emerging as a class of inexpensive semiconductors with broad bandgap tunability for optoelectronics, such as tunable NW lasers. Despite exciting progress, the current organic-inorganic hybrid perovskite NW lasers suffer from limited tunable wavelength range and poor material stability. Herein, we report facile solution growth of single-crystal NWs of inorganic perovskite CsPbX3 (X = Br, Cl) and their alloys [CsPb(Br,Cl)3] and a low-temperature vapor-phase halide exchange method to convert CsPbBr3 NWs into perovskite phase CsPb(Br,I)3 alloys and metastable CsPbI3 with well-preserved perovskite crystal lattice and NW morphology. These single crystalline NWs with smooth end facets and subwavelength dimensions are ideal Fabry-Perot cavities for NW lasers. Optically pumped tunable lasing across the entire visible spectrum (420-710 nm) is demonstrated at room temperature from these NWs with low lasing thresholds and high-quality factors. Such highly efficient lasing similar to what can be achieved with organic-inorganic hybrid perovskites indicates that organic cation is not essential for light emission application from these lead halide perovskite materials. Furthermore, the CsPbBr3 NW lasers show stable lasing emission with no measurable degradation after at least 8 h or 7.2 × 10(9) laser shots under continuous illumination, which are substantially more robust than their organic-inorganic counterparts. The Cs-based perovskites offer a stable material platform for tunable NW lasers and other nanoscale optoelectronic devices.

The relative effects on math performance of single- versus multiple-ratio schedules: a case study1

PubMed Central

Lovitt, Tom C.; Esveldt, Karen A.

1970-01-01

This series of four experiments sought to assess the comparative effects of multiple- versus single-ratio schedules on a pupil's responding to mathematics materials. Experiment I, which alternated between single- and multiple-ratio contingencies, revealed that during the latter phase the subject responded at a higher rate. Similar findings were revealed by Exp. II. The third experiment, which manipulated frequency of reinforcement rather than multiple ratios, revealed that the alteration had a minimal effect on the subject's response rate. A final experiment, conducted to assess further the effects of multiple ratios, provided data similar to those of Exp. I and II. PMID:16795267

Calcium hydroxyapatite-based photocatalysts for environment remediation: Characteristics, performances and future perspectives.

PubMed

Piccirillo, C; L Castro, P M

2017-05-15

Calcium hydroxyapatite Ca 10 (PO 4 ) 6 (OH) 2 (HAp) is a material widely used in biomedicine, for bone implants manufacture, due to its biocompatibility. HAp has also application for environmental remediation, as it can be employed as metal removal; moreover, it has the capability of effectively adsorbing organic molecules its surface. In recent years, the photocatalytic properties of HAp have been investigated; indeed several studies report of HAp used as photocatalyst, either on its own or combined with other photocatalytic materials. Although in the majority of cases the activity was induced by UV light, some reports of visible light-activated materials were reported. Here we present a critical review of the latest developments for HAp-based photocatalysts; the materials discussed are undoped single phase HAp, doped HAp and HAp-containing composites. For undoped single phase HAp, the possible surface treatment and lattice defects which can lead to a photoactive material are discussed. Considering doped HAp, the use of Ti 4+ (the most common dopant) is described, with particular attention to the effects that this metal have on the characteristics of the material (i.e. crystallinity) and on its photocatalytic behaviour. The use of other dopants is also discussed. For the multiphasic materials, the combination of HAp with other photocatalysts is discussed, mainly but not only with titanium dioxide TiO 2 . Overall, HAp is a compound with high potential as photocatalyst; this property, combined with its capability for heavy metal removal, makes it a multifunctional material for environmental remediation. As future perspectives, further studies, based on the results obtained until present, should be performed, to improve the performance of the materials and/or shift the band gap into the visible. The use of other dopants and/or the combination with other photocatalysts, for instance, are features which is worth exploring. Copyright © 2017 Elsevier Ltd. All rights reserved.

3-D photo-patterning of refractive index structures in photosensitive thin film materials

DOEpatents

Potter, Jr., Barrett George; Potter, Kelly Simmons

2002-01-01

A method of making a three-dimensional refractive index structure in a photosensitive material using photo-patterning. The wavelengths at which a photosensitive material exhibits a change in refractive index upon exposure to optical radiation is first determined and then a portion of the surface of the photosensitive material is optically irradiated at a wavelength at which the photosensitive material exhibits a change in refractive index using a designed illumination system to produce a three-dimensional refractive index structure. The illumination system can be a micro-lenslet array, a macroscopic refractive lens array, or a binary optic phase mask. The method is a single-step, direct-write procedure to produce a designed refractive index structure.

Preparation and Thermoelectric Properties of the Skutterudite-Related Phase Ru(0.5)Pd(0.5)Sb3

NASA Technical Reports Server (NTRS)

Caillat, T.; Kulleck, J.; Borshchevsky, A.; Fleurial, J.-P.

1996-01-01

A new skutterudite phase Ru(0.5)Pd(0.5)Sb3 was prepared. This new phase adds to a large number of already known materials with the skutterudite structure which have shown good potential for thermoelectric applications. Single phase, polycrystalline samples were prepared and characterized by x-ray analysis, electron probe microanalysis, density, sound velocity, thermal-expansion coefficient, and differential thermal analysis measurements. Ru(0.5)Pd(0.5)Sb3 has a cubic lattice, space group Im3 (T(sup 5, sub h)), with a = 9.298 A and decomposes at about 920 K. The Seebeck coefficient, the electrical resistivity, the Hall effect, and the thermal conductivity were measured on hot-pressed samples over a wide range of temperatures. Preliminary results show that Ru(0.5)Pd(0.5)Sb3 behaves as a heavily doped semiconductor with an estimated band gap of about 0.6 eV. The lattice thermal conductivity of Ru(0.5)Pd(0.5)Sb3 is substantially lower than that of the binary isostructural compounds CoSb3 and IrSb3. The unusually low thermal conductivity might be explained by additional hole and charge transfer phonon scattering in this material. The potential of this material for thermoelectric applications is discussed.

Room Temperature Monoclinic Phase in BaTiO3 Single Crystals

NASA Astrophysics Data System (ADS)

Denev, Sava; Kumar, Amit; Barnes, Andrew; Vlahos, Eftihia; Shepard, Gabriella; Gopalan, Venkatraman

2010-03-01

BaTiO3 is a well studied ferroelectric material for the last half century. It is well known to show phase transitions to tetragonal, orthorhombic and rhombohedral phases upon cooling. Yet, some old and some recent studies have argued that all these phases co-exist with a second phase with monoclinic distortion. Using optical second harmonic generation (SHG) at room temperature we directly present evidence for such monoclininc phase co-existing with tetragonal phase at room temperature. We observe domains with the expected tetragonal symmetry exhibiting 90^o and 180^o domain walls. However, at points of higher stress at the tips of the interpenetrating tetragonal domains we observe a well pronounced metastable ``staircase pattern'' with a micron-scale fine structure. Polarization studies show that this phase can be explained only by monoclinic symmetry. This phase is very sensitive to external perturbations such as temperature and fields, hence stabilizing this phase at room temperature could lead to large properties' tunability.

Electro-optic Modulation Using a DAST Single-crystal Film in a Fabry-Perot Cavity

NASA Astrophysics Data System (ADS)

Kutty, S. P.

2005-03-01

In this paper, we report a multiple-pass electro-optic modulator using a single- crystal film of 4'-dimethyamino-N-methyl-4-stilbazolium tosylate (DAST) placed inside a Fabry-Perot cavity. The single-crystal film was prepared using the modified shear method. Electro-optic modulation was achieved at 633 nm using field-induced birefringence in the cross polarized geometry including the Fabry-Perot cavity. The modulation due to the electro-optic effect was recorded as a function of phase while the phase was controlled by moving one of the mirrors in the cavity. The observed modulation was high (80 percent) for a low field (0.5V/micron) applied along the charge transfer axis on the film. Similar modulation using the Fabry-Perot cavity with a lower modulation depth was observed involving electroabsorption at 633 nm. Electroabsorption in the DAST film has been recently reported [1]. These are important results considering applications in photonics. [1] ``Electroabsorption in single-crystal film of a second-order optical material,'' R. K. Swamy, S. P. Kutty, J. Titus, S. Khatavkar, and M. Thakur, APL, Vol. 85, 4025, (2004).

interThermalPhaseChangeFoam-A framework for two-phase flow simulations with thermally driven phase change

NASA Astrophysics Data System (ADS)

Nabil, Mahdi; Rattner, Alexander S.

The volume-of-fluid (VOF) approach is a mature technique for simulating two-phase flows. However, VOF simulation of phase-change heat transfer is still in its infancy. Multiple closure formulations have been proposed in the literature, each suited to different applications. While these have enabled significant research advances, few implementations are publicly available, actively maintained, or inter-operable. Here, a VOF solver is presented (interThermalPhaseChangeFoam), which incorporates an extensible framework for phase-change heat transfer modeling, enabling simulation of diverse phenomena in a single environment. The solver employs object oriented OpenFOAM library features, including Run-Time-Type-Identification to enable rapid implementation and run-time selection of phase change and surface tension force models. The solver is packaged with multiple phase change and surface tension closure models, adapted and refined from earlier studies. This code has previously been applied to study wavy film condensation, Taylor flow evaporation, nucleate boiling, and dropwise condensation. Tutorial cases are provided for simulation of horizontal film condensation, smooth and wavy falling film condensation, nucleate boiling, and bubble condensation. Validation and grid sensitivity studies, interfacial transport models, effects of spurious currents from surface tension models, effects of artificial heat transfer due to numerical factors, and parallel scaling performance are described in detail in the Supplemental Material (see Appendix A). By incorporating the framework and demonstration cases into a single environment, users can rapidly apply the solver to study phase-change processes of interest.

Fishing the Fermi sea

DOE Office of Scientific and Technical Information (OSTI.GOV)

Canfield, P.

2008-03-01

Sophocles had it right, the Rolling Stones made a friendly amendment and Linus Pauling detailed the conceptual mechanism for finding novel materials that will define and revolutionize the future. Within the field of solid-state physics, the discovery of remarkable phases and transitions is often tightly coupled to the design, discovery and growth of novel materials. The past several decades of work in the field of correlated electron physics - that is, the study of materials in which the interactions are sufficiently strong that conventional single-electron theories don't apply - can be described by a list of materials that have definedmore » new extremes, be it extremes of temperature, field, pressure, complexity or, even better, simplicity.« less

A review of materials engineering in silicon-based optical fibres

NASA Astrophysics Data System (ADS)

Healy, Noel; Gibson, Ursula; Peacock, Anna C.

2018-02-01

Semiconductor optical fibre technologies have grown rapidly in the last decade and there are now a range of production and post-processing techniques that allow for a vast degree of control over the core material's optoelectronic properties. These methodologies and the unique optical fibre geometry provide an exciting platform for materials engineering and fibres can now be produced with single crystal cores, low optical losses, tunable strain, and inscribable phase composition. This review discusses the state-of-the-art regarding the production of silicon optical fibres in amorphous and crystalline form and then looks at the post-processing techniques and the improved material quality and new functionality that they afford.

MaRIE first experiments summaries version: May 9, 2010

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarrao, John L

2010-01-01

A predictive understanding of microstructure-based heterogeneity and its consequences for materials damage & failure and phase transformation initiation is presently lacking. Most metallic materials used in applications are polycrystalline aggregates - individual single crystals separated by grain boundaries. Most of these materials are either metallic alloys or contain impurities. In either case, there is spatial variability in their chemical composition. These materials also contain dislocations which will be distributed in some way throughout the individual grains and increase in density with deformation and typically form dislocation sub-cell arrangements - producing spatial distribution in dislocation density. Many materials also produce twinmore » or slip band structures with deformation which produce further heterogeneity within individual crystals. The objective of this first experiment is to probe the physics of dynamic solid-solid phase transformation and damage at length scales approaching those at which they nucleate in order to gain a detailed understanding of this process and the influence real material microstructure has on these events. These experiments would simultaneously be simulated by the appropriate modeling tools to further develop these predictive tools and to assist in our interpretation of experimental results.« less

Induction of optical vortex in the crystals subjected to bending stresses.

PubMed

Skab, Ihor; Vasylkiv, Yurij; Vlokh, Rostyslav

2012-08-20

We describe a method for generation of optical vortices that relies on bending of transparent parallelepiped-shaped samples fabricated from either glass or crystalline solid materials. It is shown that the induced singularity of optical indicatrix rotation leads in general to appearance of a mixed screw-edge dislocation of the phase front of outgoing optical beam. At the same time, some specified geometrical parameters of the sample can ensure generation of a purely screw dislocation of the phase front and, as a result, a singly charged canonical optical vortex.

Preparation of highly oxidized RBa.sub.2 Cu.sub.4 O.sub.8 superconductors

DOEpatents

Morris, Donald E.

1991-01-01

Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known syntheses in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed. The compounds and structures thus formed are substantially nonsusceptible to variations in their oxygen content when subjected to changing temperatures, thereby forming a temperature-stable substantially single phase crystal.

Acrivos Award Talk

NASA Astrophysics Data System (ADS)

Datta, Sujit Sankar

2015-11-01

Filtering water and brewing coffee are familiar examples of forcing a fluid through a porous material. Such flows are also crucial to many technological applications, including oil recovery, groundwater remediation, waste CO2 sequestration, and even transporting nutrients through mammalian tissues. I will present an experimental approach by which we directly visualize flow within a disordered 3D porous medium over a broad range of length scales, from the scale of individual pores to that of the entire medium. I will describe how we use this approach to learn about fluctuations and instabilities in single-phase and multi-phase flows.

Fabrication of computer-generated holograms using femtosecond laser direct writing.

PubMed

Berlich, René; Richter, Daniel; Richardson, Martin; Nolte, Stefan

2016-04-15

We demonstrate a single-step fabrication method for computer-generated holograms based on femtosecond laser direct writing. Therefore, a tightly arranged longitudinal waveguide array is directly inscribed into a transparent material. By tailoring the individual waveguide length, the phase profile of an incident laser beam can be arbitrarily adapted. The approach is verified in common borosilicate glass by inscribing a designed phase hologram, which forms the desired intensity pattern in its far field. The resulting performance is analyzed, and the potential as well as limitations of the method are discussed.

Multifunctional Single-Phase Photocatalysts: Extended Near Infrared Photoactivity and Reliable Magnetic Recyclability

NASA Astrophysics Data System (ADS)

Li, Xiaoning; Zhu, Zhu; Li, Feng; Huang, Yan; Hu, Xiang; Huang, Haoliang; Peng, Ranran; Zhai, Xiaofang; Fu, Zhengping; Lu, Yalin

2015-10-01

A practical photocatalyst should be able to integrate together various functions including the extended solar conversion, a feasible and economic recyclability, and above the room temperature operation potential, et al., in order to fulfill the spreading application needs in nowadays. In this report, a multifunctional single-phase photocatalyst which possesses a high photoactivity extended into the near infrared region, an easy magnetic recyclability and the high temperature stability was developed by doping Co into a new layer-structured Bi7Fe3Ti3O21 material. Light absorption and photocatalytic activity of the resulted Bi7Fe3-xCoxTi3O21 photocatalyst were extended to the long wavelength as far as 800 nm. Its strong ferromagnetism above the room temperature enables the nanopowders fully recyclable in viscous solutions simply with a magnet bar in an experimental demonstration. Furthermore, such photoactivity and magnetic recyclability were heavily tested under high-temperature and high-viscosity conditions, which was intended to simulate the actual industrial environments. This work brings the bright light to a full availability of a new multifunctional photocatalyst, via integrating the much enhanced ferromagnetic, ferroelectric, optoelectronic properties, most importantly, into a single-phase structure.

Hybrid-dimensional modelling of two-phase flow through fractured porous media with enhanced matrix fracture transmission conditions

NASA Astrophysics Data System (ADS)

Brenner, Konstantin; Hennicker, Julian; Masson, Roland; Samier, Pierre

2018-03-01

In this work, we extend, to two-phase flow, the single-phase Darcy flow model proposed in [26], [12] in which the (d - 1)-dimensional flow in the fractures is coupled with the d-dimensional flow in the matrix. Three types of so called hybrid-dimensional two-phase Darcy flow models are proposed. They all account for fractures acting either as drains or as barriers, since they allow pressure jumps at the matrix-fracture interfaces. The models also permit to treat gravity dominated flow as well as discontinuous capillary pressure at the material interfaces. The three models differ by their transmission conditions at matrix fracture interfaces: while the first model accounts for the nonlinear two-phase Darcy flux conservations, the second and third ones are based on the linear single phase Darcy flux conservations combined with different approximations of the mobilities. We adapt the Vertex Approximate Gradient (VAG) scheme to this problem, in order to account for anisotropy and heterogeneity aspects as well as for applicability on general meshes. Several test cases are presented to compare our hybrid-dimensional models to the generic equi-dimensional model, in which fractures have the same dimension as the matrix, leading to deep insight about the quality of the proposed reduced models.

Synthesis, characterization, microstructure, optical and magnetic properties of strontium cobalt carbonate precursor and Sr2Co2O5 oxide material

NASA Astrophysics Data System (ADS)

Agilandeswari, K.; Ruban Kumar, A.

2014-04-01

Sr2Co2O5 ceramic synthesized by the coprecipitation of strontium cobalt carbonate method. XRD analysis shows the single phase strontianite precursor and decomposed oxide product as orthorhombic structure of Sr2Co2O5. Thermal analysis proves the Sr2Co2O5 phase formation temperature of 800 °C. SEM image indicates crystalline rod shaped carbonate precursor transformed to oxide as porous diffused sphere shape particles. Optical band gap it reveals the strontium cobalt carbonate precursor as insulating material and the Sr2Co2O5 as semiconducting nature. The room temperature magnetic study indicates the carbonate precursor as paramagnetic but its oxide Sr2Co2O5 as superparamagnetic behavior.

Chiral d -wave superconductivity in a triangular surface lattice mediated by long-range interaction

NASA Astrophysics Data System (ADS)

Cao, Xiaodong; Ayral, Thomas; Zhong, Zhicheng; Parcollet, Olivier; Manske, Dirk; Hansmann, Philipp

2018-04-01

Adatom systems on the Si(111) surface have recently attracted an increasing attention as strongly correlated systems with a rich phase diagram. We study these materials by a single band model on the triangular lattice, including 1 /r long-range interaction. Employing the recently proposed TRILEX method, we find an unconventional superconducting phase of chiral d -wave symmetry in hole-doped systems. Contrary to usual scenarios where charge and spin fluctuations are seen to compete, here the superconductivity is driven simultaneously by both charge and spin fluctuations and crucially relies on the presence of the long-range tail of the interaction. We provide an analysis of the relevant collective bosonic modes and predict how a cumulative charge and spin paring mechanism leads to superconductivity in doped silicon adatom materials.

Enhanced Mechanical Performance of Bio-Inspired Hybrid Structures Utilising Topological Interlocking Geometry

PubMed Central

Djumas, Lee; Molotnikov, Andrey; Simon, George P.; Estrin, Yuri

2016-01-01

Structural composites inspired by nacre have emerged as prime exemplars for guiding materials design of fracture-resistant, rigid hybrid materials. The intricate microstructure of nacre, which combines a hard majority phase with a small fraction of a soft phase, achieves superior mechanical properties compared to its constituents and has generated much interest. However, replicating the hierarchical microstructure of nacre is very challenging, not to mention improving it. In this article, we propose to alter the geometry of the hard building blocks by introducing the concept of topological interlocking. This design principle has previously been shown to provide an inherently brittle material with a remarkable flexural compliance. We now demonstrate that by combining the basic architecture of nacre with topological interlocking of discrete hard building blocks, hybrid materials of a new type can be produced. By adding a soft phase at the interfaces between topologically interlocked blocks in a single-build additive manufacturing process, further improvement of mechanical properties is achieved. The design of these fabricated hybrid structures has been guided by computational work elucidating the effect of various geometries. To our knowledge, this is the first reported study that combines the advantages of nacre-inspired structures with the benefits of topological interlocking. PMID:27216277

Multiphase materials with lignin. IV. Blends of hydroxypropyl cellulose with lignin

Treesearch

Timothy G. Rials; Wolfgang G. Glasser

1989-01-01

Polymer blends of hydroxypropyl cellulose (HPC) and organosolv lignin (OSL) were prepared by mixing in solutions of both pyridine and dioxane, and casting as films, and by mixing in the melt followed by extrusion. All preparations exhibited partial miscibility as evidenced by a single Tg up to a composition of 40 wt % lignin above which phase...

Thermal diffusivity determination using heterodyne phase insensitive transient grating spectroscopy

NASA Astrophysics Data System (ADS)

Dennett, Cody A.; Short, Michael P.

2018-06-01

The elastic and thermal transport properties of opaque materials may be measured using transient grating spectroscopy (TGS) by inducing and monitoring periodic excitations in both reflectivity and surface displacement. The "phase grating" response encodes both properties of interest, but complicates quantitative analysis by convolving temperature dynamics with surface displacement dynamics. Thus, thermal transport characteristics are typically determined using the "amplitude grating" response to isolate the surface temperature dynamics. However, this signal character requires absolute heterodyne phase calibration and contains no elastic property information. Here, a method is developed by which phase grating TGS measurements may be consistently analyzed to determine thermal diffusivity with no prior knowledge of the expected properties. To demonstrate this ability, the wavelength-dependent 1D effective thermal diffusivity of pure germanium is measured using this type of response and found to be consistent with theoretical predictions made by solving the Boltzmann transport equation. This ability to determine the elastic and thermal properties from a single set of TGS measurements will be particularly advantageous for new in situ implementations of the technique being used to study dynamic materials systems.

Electrical Characteristics and Preparation of Nanostructured Pb(Zr0.5Ti0.5)O3 Films by Spray Pyrolysis

NASA Astrophysics Data System (ADS)

Koo, Horng-Show; Chen, Mi; Hotta, Yoichi; Kawai, Tomoji

2007-07-01

Nanostructured thin films of Pb(Zr0.5Ti0.5)O3 on Pt (1000 Å)/Ti (100 Å)/SiO2 (2000 Å)/Si substrates are prepared by spray pyrolysis and subsequently rapid thermal annealing. Lead nitrate, zirconium nitrate and titanium isopropoxide are used as starting material with ethylene glycol as solvent. The crystal structure of the as-sprayed films are transformed from the amorphous, pyrochlore and multiple phases of pyrochlore and perovskite to the single phase of perovskite as the annealing temperature is increased up to 500 °C. For the formation of single phase perovskite, excess lead of 10 mol % is required to compensate the loss of lead during the processing of the primitive films. The physical characteristics of the resultant films show the dielectric constant (\\varepsilonr) of 400, remanent polarization (2Pr) of 30.0 μC/cm2 and coercive field (2Ec) of 70.0 kV/cm, respectively.

Remarks on the Particular Behavior in Martensitic Phase Transition in Cu-Based and Ni-Ti Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Torra, Vicenç; Martorell, Ferran; Lovey, Francisco C.; Sade, Marcos

2018-05-01

Many macroscopic behaviors of the martensitic transformations are difficult to explain in the frame of the classical first-order phase transformations, without including the role of point and crystallographic defects (dislocations, stacking faults, interfaces, precipitates). A few major examples are outlined in the present study. First, the elementary reason for thermoelasticity and pseudoelasticity in single crystals of Cu-Zn-Al (β-18R transformation) arises from the interaction of a growing martensite plate with the existing dislocations in the material. Secondly, in Cu-Al-Ni, the twinned hexagonal (γ') martensite produces dislocations inhibiting this transformation and favoring the appearance of 18R in subsequent transformation cycles. Thirdly, single crystals of Cu-Al-Be visualize, via enhanced stress, a transformation primarily to 18R, a structural distortion of the 18R structure, and an additional transformation to another martensitic phase (i.e., 6R) with an increased strain. A dynamic behavior in Ni-Ti is also analyzed, where defects alter the pseudoelastic behavior after cycling.

Wet-chemical synthesis of different bismuth telluride nanoparticles using metal organic precursors - single source vs. dual source approach.

PubMed

Bendt, Georg; Weber, Anna; Heimann, Stefan; Assenmacher, Wilfried; Prymak, Oleg; Schulz, Stephan

2015-08-28

Thermolysis of the single source precursor (Et2Bi)2Te in DIPB at 80 °C yielded phase-pure Bi4Te3 nanoparticles, while mixtures of Bi4Te3 and elemental Bi were formed at higher temperatures. In contrast, cubic Bi2Te particles were obtained by thermal decomposition of Et2BiTeEt in DIPB. Moreover, a dual source approach (hot injection method) using the reaction of Te(SiEt3)2 and Bi(NMe2)3 was applied for the synthesis of different pure Bi-Te phases including Bi2Te, Bi4Te3 and Bi2Te3, which were characterized by PXRD, REM, TEM and EDX. The influence of reaction temperature, precursor molar ratio and thermolysis conditions on the resulting material phase was verified. Moreover, reactions of alternate bismuth precursors such as Bi(NEt2)3, Bi(NMeEt)3 and BiCl3 with Te(SiEt3)2 were investigated.

Characteristics of uranium carbonitride microparticles synthesized using different reaction conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silva, Chinthaka M; Lindemer, Terrence; Voit, Stewart L

2014-11-01

Three sets of different experimental conditions by changing the cover gases during the sample preparation were tested to synthesize uranium carbonitride (UC1-xNx) microparticles. In the first two sets of experiments using (N2 to N2-4%H2 to Ar) and (Ar to N2 to Ar) environments, single phase UC1-xNx was synthesized. When reducing environments (Ar-4%H2 to N2-4%H2 to Ar-4%H2) were utilized, theoretical densities up to 97% of single phase UC1-xNx kernels were obtained. Physical and chemical characteristics such as density, phase purity, and chemical compositions of the synthesized UC1-xNx materials for the diferent experimental conditions used are provided. In-depth analysis of the microstruturesmore » of UC1-xNx has been carried out and is discussed with the objective of large batch fabrication of high density UC1-xNx kernels.« less

Microseismic Signature of Magma Failure: Testing Failure Forecast in Heterogeneous Material

NASA Astrophysics Data System (ADS)

Vasseur, J.; Lavallee, Y.; Hess, K.; Wassermann, J. M.; Dingwell, D. B.

2012-12-01

Volcanoes exhibit a range of seismic precursors prior to eruptions. This range of signals derive from different processes, which if quantified, may tell us when and how the volcano will erupt: effusively or explosively. This quantification can be performed in laboratory. Here we investigated the signals associated with the deformation and failure of single-phase silicate liquids compare to mutli-phase magmas containing pores and crystals as heterogeneities. For the past decades, magmas have been simplified as viscoelastic fluids with grossly predictable failure, following an analysis of the stress and strain rate conditions in volcanic conduits. Yet it is clear that the way magmas fail is not unique and evidences increasingly illustrate the role of heterogeneities in the process of magmatic fragmentation. In such multi-phase magmas, failure cannot be predicted using current rheological laws. Microseismicity, as detected in the laboratory by analogous Acoustic Emission (AE), can be used to monitor fracture initiation and propagation, and thus provides invaluable information to characterise the process of brittle failure underlying explosive eruptions. Tri-axial press experiments on different synthetised and natural glass samples have been performed to investigate the acoustic signature of failure. We observed that the failure of single-phase liquids occurs without much strain and is preceded by the constant nucleation, propagation and coalescence of cracks as demonstrated by the monitored AE. In contrast, the failure of multi-phase magmas depends on the applied stress and is strain dependent. The path dependence of magma failure is nonetheless accompanied by supra exponential acceleration in released AEs. Analysis of the released AEs following material Failure Forecast Method (FFM) suggests that the predicability of failure is enhanced by the presence of heterogeneities in magmas. We discuss our observations in terms of volcanic scenarios.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boatner, Lynn A.; Comer, Eleanor P.; Wright, Gomez W.

Monovalent alkali halides such as NaI, CsI, and LiI are widely used as inorganic scintillators for radiation detection due to their light yield, the capability for the growth of large single crystals, relatively low cost, and other favorable characteristics. These materials are frequently activated through the addition of small amounts (e.g., a few hundred ppm) of elements such as thallium - or sodium in the case of CsI. The monovalent alkali halide scintillators can also be activated with low concentrations of Eu 2+, however Eu activation has previously not been widely employed due to the non-uniform segregation of the divalentmore » Eu dopant that leads to the formation of unwanted phases during Bridgman or other solidification crystal-growth methods. Specifically, for Eu concentrations near and above ~0.5%, Suzuki Phase precipitates form in the course of the melt-growth process, and these Suzuki Phase particles scatter the scintillation light. This adversely affects the scintillator performance via reduction in the optical transmission of the material, and depending on the crystal thickness and precipitated-particle concentration, this reduction can occur up to the point of opacity. Here we describe a post-growth process for the removal of Suzuki Phase precipitates from single crystals of the neutron scintillator LiI activated with Eu 2+ at concentrations up to and in excess of 3 wt.%, and we correlate the resulting neutron-detection performance with the thermal processing methods used to remove the Suzuki Phase particles. Furthermore, the resulting improved scintillator properties using increased Eu activator levels are applicable to neutron imaging and active interrogation systems, and pulse-height gamma-ray spectroscopy rather than pulse-shape discrimination can be used to discriminate between gamma ray and neutron interaction events.« less

Thermal effects in high-power CW second harmonic generation in Mg-doped stoichiometric lithium tantalate.

PubMed

Tovstonog, Sergey V; Kurimura, Sunao; Suzuki, Ikue; Takeno, Kohei; Moriwaki, Shigenori; Ohmae, Noriaki; Mio, Norikatsu; Katagai, Toshio

2008-07-21

We investigated thermal behaviors of single-pass second-harmonic generation of continuous wave green radiation with high efficiency by quasi-phase matching in periodically poled Mg-doped stoichiometric lithium tantalate (PPMgSLT). Heat generation turned out to be directly related to the green light absorption in the material. Strong relation between an upper limit of the second harmonic power and confocal parameter was found. Single-pass second-harmonic generation of 16.1 W green power was achieved with 17.6% efficiency in Mg:SLT at room temperature.

Growth and characterization of CaFe1-xCoxAsF single crystals by CaAs flux method

NASA Astrophysics Data System (ADS)

Ma, Yonghui; Hu, Kangkang; Ji, Qiucheng; Gao, Bo; Zhang, Hui; Mu, Gang; Huang, Fuqiang; Xie, Xiaoming

2016-10-01

Millimeter sized single crystals of CaFe1-x Cox AsF were grown using a self-flux method. It is found that high-quality single crystals can be grown from three approaches with different initial raw materials. The chemical compositions and crystal structure were characterized carefully. Compared with the undoped parent phase CaFeAsF, the crystal lattice along the c-axis is suppressed by the Co substitution while that along the a-axis expands slightly. Superconductivity with the critical transition Tc as high as 21 K was confirmed by both the resistivity and magnetic susceptibility measurements in the sample with x=0.118. Moreover, it is found that Tc can be enhanced for about 1 K under the very small hydrostatic pressure of 0.22 GPa, which is more quick than that reported in the polycrystalline samples. Our results are a promotion for the physical investigations of 1111 phase iron-pnictide superconductors.

In Situ X-ray Diffraction of Forsterite Under Shock Compression to 52 GPa: Time Resolved Observation of Changes in Crystal Structure and Phase

NASA Astrophysics Data System (ADS)

Akin, M. C.; Maddox, B.; Teruya, A.; Asimow, P. D.

2015-12-01

The Earth's mantle is composed primarily of ferromagnesian silicates, of which Forsterite (Fo) is the magnesium-rich end member of the dominant upper mantle phase, olivine. Fo is thought to undergo a chemical decomposition associated with a structural phase transition when dynamically loaded to 40-71 GPa, but previous inferences about such decomposition have been based only on pressure-density data with no direct phase identification. To obtain direct data on the phase evolution of shocked Fo, synthetic single crystal samples of Mg2SiO4 Fo were loaded to pressures of 52 GPa using a two stage light gas gun. X-ray diffraction (XRD) patterns were collected on the static and the loaded samples in situ using a single pulse Mo Kα anode to provide a 17 keV X-ray source. X-ray polycapillary optics were used to couple the source to the sample. Clear Laue spots were observed in the static images, while the dynamic images show the appearance of new spots at early times and powder-like rings at late times. The angles of the dynamically driven spots and rings overlap with each other and indicate the change in phase of forsterite under pressure through a process that begins with the formation of single crystals and ends with polycrystalline material. Efforts are underway to identify the high-pressure phases from among the library of dense magnesium silicates, and further experiments covering a larger pressure range will be completed shortly. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Environmentally friendly method to grow wide-bandgap semiconductor aluminum nitride crystals: Elementary source vapor phase epitaxy

PubMed Central

Wu, PeiTsen; Funato, Mitsuru; Kawakami, Yoichi

2015-01-01

Aluminum nitride (AlN) has attracted increasing interest as an optoelectronic material in the deep ultraviolet spectral range due to its wide bandgap of 6.0 eV (207 nm wavelength) at room temperature. Because AlN bulk single crystals are ideal device substrates for such applications, the crystal growth of bulky AlN has been extensively studied. Two growth methods seem especially promising: hydride vapor phase epitaxy (HVPE) and sublimation. However, the former requires hazardous gases such as hydrochloric acid and ammonia, while the latter needs extremely high growth temperatures around 2000 °C. Herein we propose a novel vapor-phase-epitaxy-based growth method for AlN that does not use toxic materials; the source precursors are elementary aluminum and nitrogen gas. To prepare our AlN, we constructed a new growth apparatus, which realizes growth of AlN single crystals at a rate of ~18 μm/h at 1550 °C using argon as the source transfer via the simple reaction Al + 1/2N2 → AlN. This growth rate is comparable to that by HVPE, and the growth temperature is much lower than that in sublimation. Thus, this study opens up a novel route to achieve environmentally friendly growth of AlN. PMID:26616203

Hot-Chemistry Structural Phase Transformation in Single-Crystal Chalcogenides for Long-Life Lithium Ion Batteries.

PubMed

Hassan, Fathy M; Hu, Qianqian; Fu, Jing; Batmaz, Rasim; Li, Jingde; Yu, Aiping; Xiao, Xingcheng; Chen, Zhongwei

2017-06-21

Tuned chalcogenide single crystals rooted in sulfur-doped graphene were prepared by high-temperature solution chemistry. We present a facile route to synthesize a rod-on-sheet-like nanohybrid as an active anode material and demonstrate its superior performance in lithium ion batteries (LIBs). This nanohybrid contains a nanoassembly of one-dimensional (1D) single-crystalline, orthorhombic SnS onto two-dimensional (2D) sulfur-doped graphene. The 1D nanoscaled SnS with the rodlike single-crystalline structure possesses improved transport properties compared to its 2D hexagonal platelike SnS 2 . Furthermore, we blend this hybrid chalcogenide with biodegradable polymer composite using water as a solvent. Upon drying, the electrodes were subjected to heating in vacuum at 150 °C to induce polymer condensation via formation of carboxylate groups to produce a mechanically robust anode. The LIB using the as-developed anode material can deliver a high volumetric capacity of ∼2350 mA h cm -3 and exhibit superior cycle stability over 1500 cycles as well as a high capacity retention of 85% at a 1 C rate. The excellent battery performance combined with the simplistic, scalable, and green chemistry approach renders this anode material as a very promising candidate for LIB applications.

Biaxial flexural strength and microstructure changes of two recycled pressable glass ceramics.

PubMed

Albakry, Mohammad; Guazzato, Massimiliano; Swain, Michael Vincent

2004-09-01

This study evaluated the biaxial flexural strength and identified the crystalline phases and the microstructural features of pressed and repressed materials of the glass ceramics, Empress 1 and Empress 2. Twenty pressed and 20 repressed disc specimens measuring 14 mm x 1 mm per material were prepared following the manufacturers' recommendations. Biaxial flexure (piston on 3-ball method) was used to assess strength. X-ray diffraction was performed to identify the crystalline phases, and a scanning electron microscope was used to disclose microstructural features. Biaxial flexural strength, for the pressed and repressed specimens, respectively, were E1 [148 (SD 18) and 149 (SD 35)] and E2 [340 (SD 40), 325 (SD 60)] MPa. There was no significant difference in strength between the pressed and the repressed groups of either material, Empress 1 and Empress 2 (p > 0.05). Weibull modulus values results were E1: (8, 4.7) and E2: (9, 5.8) for the same groups, respectively. X-ray diffraction revealed that leucite was the main crystalline phase for Empress 1 groups, and lithium disilicate for Empress 2 groups. No further peaks were observed in the X-ray diffraction patterns of either material after repressing. Dispersed leucite crystals and cracks within the leucite crystals and glass matrix were features observed in Empress 1 for pressed and repressed samples. Similar microstructure features--dense lithium disilicate crystals within a glass matrix--were observed in Empress 2 pressed and repressed materials. However, the repressed material showed larger lithium disilicate crystals than the singly pressed material. Second pressing had no significant effect on the biaxial flexural strength of Empress 1 or Empress 2; however, higher strength variations among the repressed samples of the materials may indicate less reliability of these materials after second pressing.

Transition to collapsed tetragonal phase in CaFe 2As 2 single crystals as seen by 57Fe Mössbauer spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan

Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe 2As 2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ~25% on cooling from room temperature to ~100 K in the tetragonal phase and is only weakly temperature dependent atmore » low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe 2As 2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Furthermore, based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.« less

Phase transformations at interfaces: Observations from atomistic modeling

DOE PAGES

Frolov, T.; Asta, M.; Mishin, Y.

2016-10-01

Here, we review the recent progress in theoretical understanding and atomistic computer simulations of phase transformations in materials interfaces, focusing on grain boundaries (GBs) in metallic systems. Recently developed simulation approaches enable the search and structural characterization of GB phases in single-component metals and binary alloys, calculation of thermodynamic properties of individual GB phases, and modeling of the effect of the GB phase transformations on GB kinetics. Atomistic simulations demonstrate that the GB transformations can be induced by varying the temperature, loading the GB with point defects, or varying the amount of solute segregation. The atomic-level understanding obtained from suchmore » simulations can provide input for further development of thermodynamics theories and continuous models of interface phase transformations while simultaneously serving as a testing ground for validation of theories and models. They can also help interpret and guide experimental work in this field.« less

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rotundu, Costel R.; Wen, Jiajia; He, Wei

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. Here, we performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at ~ 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rotundu, Costel R.; Wen, Jiajia; He, Wei

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. We performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at similar to 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Finally, further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

NASA Astrophysics Data System (ADS)

Rotundu, Costel R.; Wen, Jiajia; He, Wei; Choi, Yongseong; Haskel, Daniel; Lee, Young S.

2018-02-01

The application of pressure reveals a rich phase diagram for the quantum S =1 /2 spin chain material TiOCl. We performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T =4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at ˜6 GPa up to 215 K but possibly extends in temperature to above T =300 K, indicating the possibility of a quantum singlet state at room temperature. Near the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE PAGES

Rotundu, Costel R.; Wen, Jiajia; He, Wei; ...

2018-02-15

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. Here, we performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at ~ 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE PAGES

Rotundu, Costel R.; Wen, Jiajia; He, Wei; ...

2018-02-15

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. We performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at similar to 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Finally, further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Time-resolved, dual heterodyne phase collection transient grating spectroscopy

DOE PAGES

Dennett, Cody A.; Short, Michael P.

2017-05-23

The application of optical heterodyne detection for transient grating spectroscopy (TGS) using a fixed, binary phase mask often relies on taking the difference between signals captured at multiple heterodyne phases. To date, this has been accomplished by manually controlling the heterodyne phase between measurements with an optical flat. In this letter, an optical configuration is presented which allows for collection of TGS measurements at two heterodyne phases concurrently through the use of two independently phase controlled interrogation paths. This arrangement allows for complete, heterodyne amplified TGS measurements to be made in a manner not constrained by a mechanical actuation time.more » Measurements are instead constrained only by the desired signal-to-noise ratio. A temporal resolution of between 1 and 10 s, demonstrated here on single crystal metallic samples, will allow TGS experiments to be used as an in-situ, time-resolved monitoring technique for many material processing applications.« less

Characteristics of Nano-emulsion for Cold Thermal Storage

NASA Astrophysics Data System (ADS)

Fumoto, Koji; Kawaji, Masahiro; Kawanami, Tsuyoshi

Phase change emulsion (PCE) is novel kind of heat storage and heat transfer fluids. It has characteristics as follows; greater apparent specific heat and higher heat transfer abilities in the phase change temperature range than conventional single phase heat transfer fluid. In this paper, a phase change emulsion, which has droplet diameter distribution of nanometer, were prepared. The Nano-emulsion was formed by low energy emulsification methods, as known the phase inversion temperature (PIT) method. Physical properties, such as viscosity, diameter and its distribution of emulsion were investigated. Especially, the relationships between preparation method and the concentration of surfactant have been discussed in detail. The results show that the viscosity of the Nano-emulsion is lower than the micro-emulsion, which was made by same mixing ratio of surfactant and concentration of phase change material. In addition, the Nano-emulsion clarified that stability was higher than microemulsions.

Time-resolved, dual heterodyne phase collection transient grating spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dennett, Cody A.; Short, Michael P.

The application of optical heterodyne detection for transient grating spectroscopy (TGS) using a fixed, binary phase mask often relies on taking the difference between signals captured at multiple heterodyne phases. To date, this has been accomplished by manually controlling the heterodyne phase between measurements with an optical flat. In this letter, an optical configuration is presented which allows for collection of TGS measurements at two heterodyne phases concurrently through the use of two independently phase controlled interrogation paths. This arrangement allows for complete, heterodyne amplified TGS measurements to be made in a manner not constrained by a mechanical actuation time.more » Measurements are instead constrained only by the desired signal-to-noise ratio. A temporal resolution of between 1 and 10 s, demonstrated here on single crystal metallic samples, will allow TGS experiments to be used as an in-situ, time-resolved monitoring technique for many material processing applications.« less

Defect-induced solid state amorphization of molecular crystals

NASA Astrophysics Data System (ADS)

Lei, Lei; Carvajal, Teresa; Koslowski, Marisol

2012-04-01

We investigate the process of mechanically induced amorphization in small molecule organic crystals under extensive deformation. In this work, we develop a model that describes the amorphization of molecular crystals, in which the plastic response is calculated with a phase field dislocation dynamics theory in four materials: acetaminophen, sucrose, γ-indomethacin, and aspirin. The model is able to predict the fraction of amorphous material generated in single crystals for a given applied stress. Our results show that γ-indomethacin and sucrose demonstrate large volume fractions of amorphous material after sufficient plastic deformation, while smaller amorphous volume fractions are predicted in acetaminophen and aspirin, in agreement with experimental observation.

Nucleation and growth studies of crystalline carbon phases at nanoscale

NASA Astrophysics Data System (ADS)

Mani, Radhika C.

Understanding the nucleation and early stage growth of crystals from the vapor phase is important for realizing large-area single-crystal quality films, controlled synthesis of nanocrystals, and the possible discovery of new phases of materials. Carbon provides the most interesting system because all its known crystalline phases (diamond, graphite and carbon nanotubes) are technologically important materials. Hence, this dissertation is focused on studying the nucleation and growth of carbon phases synthesized from the vapor phase. Nucleation experiments were performed in a microwave plasma chemical vapor deposition (CVD) reactor, and the resulting carbon nanocrystals were analyzed primarily using electron nanodiffraction and Raman spectroscopy. These studies led to the discovery of two new crystalline phases of sp 3 carbon other than diamond: face-centered and body-centered cubic carbon. Nanodiffraction results revealed possible hydrogen substitution into diamond-cubic lattices, indicating that these new phases probably act as intermediates in diamond nucleation. Nucleation experiments also led to the discovery of two new morphologies for sp2 carbon: nanocrystals of graphite and tapered, hollow 1-D structures termed here as "carbon nanopipettes". A Kinetic Monte Carlo (KMC) algorithm was developed to simulate the growth of individual diamond crystals from the vapor phase, starting with small clusters of carbon atoms (or seeds). Specifically, KMC simulations were used to distinguish the kinetic rules that give rise to a star-shaped decahedral morphology compared to decahedral crystals. KMC simulations revealed that slow adsorption on the {111} step-propagation sites compared to kink sites leads to star-decahedral crystals, and higher adsorption leads to decahedral crystals. Since the surfaces of the nanocrystals of graphite and nanopipettes were expected to be composed primarily of edge-plane sites, the electrochemical behavior of both these materials were investigated with compounds requiring chemisorption, specifically biologically important species. Both these materials exhibited a stable and reversible voltammetric behavior for dopamine (a neurotransmitter) similar to that of graphite edge planes. Furthermore, a simple bottom-up concept utilizing the tapered morphology of the nanopipettes was developed to assemble a nanoarray sensor for fast cyclic voltammetry. In summary, the main outcomes of this dissertation include: the discovery of new crystalline carbon phases, understanding kinetic faceting of multiply twinned diamond crystals and tapered morphologies of carbon nanotubes, and development of new electrode materials based on sp2 carbon nanocrystals for sensing biologically important analytes.

Crystal structure across the β to α phase transition in thermoelectric Cu 2–xSe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.

Here, the crystal structure uniquely imparts the specific properties of a material, and thus provides the starting point for any quantitative understanding of thermoelectric properties. Cu 2–xSe is an intensely studied high performing, non-toxic and cheap thermoelectric material, and here for the first time, the average structure of β-Cu 2–xSe is reported based on analysis of multi-temperature single-crystal X-ray diffraction data. It consists of Se–Cu layers with additional copper between every alternate layer. The structural changes during the peculiar zT enhancing phase transition mainly consist of changes in the inter-layer distance coupled with subtle Cu migration. Just prior to themore » transition the structure exhibits strong negative thermal expansion due to the reordering of Cu atoms, when approached from low temperatures. The phase transition is fully reversible and group–subgroup symmetry relations are derived that relate the low-temperature β-phase to the high-temperature α-phase. Weak superstructure reflections are observed and a possible Cu ordering is proposed. The structural rearrangement may have a significant impact on the band structure and the Cu rearrangement may also be linked to an entropy increase. Both factors potentially contribute to the extraordinary zT enhancement across the phase transition.« less

Inducing phase transitions of T-like BiFeO3 films by low-energy He implantation

NASA Astrophysics Data System (ADS)

Herklotz, Andreas; Beekman, Christianne; Rus, Stefania Florina; Ivanov, Ilia; Balke, Nina; Ward, Thomas Zac

Ferroelectric phase transitions of BiFeO3 are found to be controllable through the application of single axis, out-of-plane strain. Low-energy He implantation has been deployed to induce out-of-plane strain in T-like BFO films, while the compressive in-plane strain due to the coherent growth on LaAlO3 substrates remains fixed. Our data shows that He implantation triggers a MC -MA - T phase sequence of the T polymorph that is identical to structural changes that are induced with increasing temperature. Mixed phases nanodomains phases are gradually suppressed and disappear above a certain He doping level. Our data shows that the ferroelectric and optical properties of BiFeO3 films critically depend on the He doping level. Thus, the results demonstrates that He implantation can be used as an intriguing approach to study lines in the rich phase space of BFO films that can't be accessed by simple heteroepitaxy. This effort was wholly supported by the US Department of Energy (DOE), Office of Basic Energy Sciences (BES), Materials Sciences and Engineering Division, with user projects supported at ORNL's Center for Nanophase Materials Research (CNMS) which is also sponsored by DOE-BES.

Crystal structure across the β to α phase transition in thermoelectric Cu 2–xSe

DOE PAGES

Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; ...

2017-06-13

Here, the crystal structure uniquely imparts the specific properties of a material, and thus provides the starting point for any quantitative understanding of thermoelectric properties. Cu 2–xSe is an intensely studied high performing, non-toxic and cheap thermoelectric material, and here for the first time, the average structure of β-Cu 2–xSe is reported based on analysis of multi-temperature single-crystal X-ray diffraction data. It consists of Se–Cu layers with additional copper between every alternate layer. The structural changes during the peculiar zT enhancing phase transition mainly consist of changes in the inter-layer distance coupled with subtle Cu migration. Just prior to themore » transition the structure exhibits strong negative thermal expansion due to the reordering of Cu atoms, when approached from low temperatures. The phase transition is fully reversible and group–subgroup symmetry relations are derived that relate the low-temperature β-phase to the high-temperature α-phase. Weak superstructure reflections are observed and a possible Cu ordering is proposed. The structural rearrangement may have a significant impact on the band structure and the Cu rearrangement may also be linked to an entropy increase. Both factors potentially contribute to the extraordinary zT enhancement across the phase transition.« less

Investigating gas-phase defect formation in late-stage solidification using a novel phase-field crystal alloy model

NASA Astrophysics Data System (ADS)

Wang, Nan; Smith, Nathan; Provatas, Nikolas

2017-09-01

We study late-stage solidification and the associated formation of defects in alloy materials using a novel model based on the phase-field-crystal technique. It is shown that our model successfully captures several important physical phenomena that occur in the late stages of solidification, including solidification shrinkage, liquid cavitation and microsegregation, all in a single framework. By examining the interplay of solidification shrinkage and solute segregation, this model reveals that the formation of gas pore defects at the late stage of solidification can lead to nucleation of second phase solid particles due to solute enrichment in the eutectic liquid driven by gas-phase nucleation and growth. We also predict a modification of the Gulliver-Scheil equation in the presence of gas pockets in confined liquid pools.

New Density Functional Approach for Solid-Liquid-Vapor Transitions in Pure Materials

NASA Astrophysics Data System (ADS)

Kocher, Gabriel; Provatas, Nikolas

2015-04-01

A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most quantitative features to date in PFC modeling of pure substances, and full consistency with thermodynamics in pressure-volume-temperature space is demonstrated. A method to control either the volume or the pressure of the system is also introduced. Nonequilibrium simulations show that 2- and 3-phase growth of solid, vapor, and liquid can be achieved, while our formalism also allows for a full range of pressure-induced transformations. This model opens up a new window for the study of pressure driven interactions of condensed phases with vapor, an experimentally relevant paradigm previously missing from phase field crystal theories.

Improving the Mechanical Properties of the Fusion Zone in Electron-Beam Welded Ti-5Al-5Mo-5V-3Cr Alloys

NASA Astrophysics Data System (ADS)

Marvel, Christopher J.; Sabol, Joseph C.; Pasang, Timotius; Watanabe, Masashi; Misiolek, Wojciech Z.

2017-04-01

It is well-known that ω-phase precipitates embrittle Ti-5553 alloys and that ω-phase embrittlement can be overcome with appropriate heat treatments. However, the microstructural evolution of electron-beam welded Ti-5553 is not as understood as compared to the cast or wrought material. This study compared the microstructures of as-welded and post-weld heat-treated specimens by scanning and transmission electron microscopy, and similarly compared the localized mechanical behavior of the fusion zones with microhardness testing and digital image correlation coupled tensile testing. The primary observations were that the embrittling ω-phase precipitates formed upon cooling, and could not be fully solutionized in a single-step treatment of 1077 K (804 °C) for 1 hour. It was also discovered that nanoscale α-phase precipitates nucleated after the single-step treatment, although they were small in number and sparsely distributed. However, a two-step heat treatment of 1077 K (804 °C) for 1 hour and 873 K (600 °C) for 4 hours completely solutionized the ω-phase and produced a dense network of 2- μm-wide α-phase plates, which significantly improved the mechanical properties. Overall, this study has shown that post-weld heat treatments improve the strength and ductility of electron-beam welded Ti-5553 alloys by controlling ω- and α-phase evolution.

Multi-scale invertigation of the relationship between the microstructure and mechanical properties in dual phase steels

NASA Astrophysics Data System (ADS)

Zhang, Fan

Dual phase steel alloys belong to the first generation of advanced high strength steels that are widely used in the automotive industry to form body structure and closure panels of vehicles. A deeper understanding of the microstructural features, such as phase orientation and morphology are needed in order to establish their effect on the mechanical performance and to design a material with optimized attributes. In this work, our goal is to establish what kind of relationship exist between the mechanical properties and the microstructural representation of dual phase steels obtained from experimental observations. Microstructure in different specimens are characterized with advanced experimental techniques as optical microscopy, scanning electron microscopy, transmission electron microscopy, electron backscatter diffraction pattern, scanning probe microscopy, and nanoindentation. Nanoindentation, Vickers hardness and tensile testing are conducted to reveal a multi-scale mechanical performance on original material and also specimens under a variety combinations of temperatures, cooling rates, and rolling conditions. To quantify the single phase properties in each sample, an inverse method is adopted using experimental nanoindentation load-depth curves to obtain tensile stress-strain curves for each phase, and the inverse results were verified with the true stress-strain curves from tensile tests. This work also provides the insight on spatial phase distribution of different phases through a 2-point correlation statistical methodology and relate to material strength and formability. The microstructure information is correlated with the results of mechanical tests. The broken surfaces from tensile testing are analyzed to discover the fracture mechanism in relation to martensite morphology and distribuion. Viscoplastic self-consistent fast Fourier Transformation simulations is also used to compute efficiently the local and the homogenized viscoplastic response of the polycrystalline microstructure. The specific objectives of this work are 1) the development of etching techniques and electron backscatter diffraction strategies to characterize ferrite and martensite phases in steel; 2) the uncovering of a relationship between strength/ductility and material microstructure, 3) a statistical description to quantify the spatial distributions of these phases; and finally 4) the simulation of the microstructural evolution using parameters obtained from the experiments.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Young, Steve M.; Manni, S.; Shao, Junping

BaSn 2 has been shown to form as layers of buckled stanene intercalated by barium ions. However, despite an apparently straightforward synthesis and significant interest in stanene as a topological material, BaSn 2 has been left largely unexplored, and has only recently been recognized as a potential topological insulator. Belonging to neither the lead nor bismuth chalcogenide families, it would represent a unique manifestation of the topological insulating phase. Here in this paper, we present a detailed investigation of BaSn 2, using both ab initio and experimental methods. First-principles calculations demonstrate that this overlooked material is indeed a strong, wide-gapmore » topological insulator with a bulk band gap of 200 meV. We characterize the surface state dependence on termination chemistry, providing guidance for experimental efforts to measure and manipulate its topological properties. Additionally, through ab initio modeling and synthesis experiments, we explore the stability and accessibility of this phase, revealing a complicated phase diagram that indicates a challenging path to obtaining single crystals.« less

BaSn 2 : A wide-gap strong topological insulator

DOE PAGES

Young, Steve M.; Manni, S.; Shao, Junping; ...

2017-02-15

BaSn 2 has been shown to form as layers of buckled stanene intercalated by barium ions. However, despite an apparently straightforward synthesis and significant interest in stanene as a topological material, BaSn 2 has been left largely unexplored, and has only recently been recognized as a potential topological insulator. Belonging to neither the lead nor bismuth chalcogenide families, it would represent a unique manifestation of the topological insulating phase. Here in this paper, we present a detailed investigation of BaSn 2, using both ab initio and experimental methods. First-principles calculations demonstrate that this overlooked material is indeed a strong, wide-gapmore » topological insulator with a bulk band gap of 200 meV. We characterize the surface state dependence on termination chemistry, providing guidance for experimental efforts to measure and manipulate its topological properties. Additionally, through ab initio modeling and synthesis experiments, we explore the stability and accessibility of this phase, revealing a complicated phase diagram that indicates a challenging path to obtaining single crystals.« less

Holographic rugate structures for x-ray optics applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jannson, T.; Savant, Gajendra.; Qiao, Yong.

1988-07-01

XUV Bragg Holographic Optical Elements (HOEs), based on a single-step volume holographic recording, have been proposed by Physical Optic Corporation (POC), as an entirely new approach to x-ray optics. Their theory, as well as the first experimental proof-of-concept, have been demonstrated in Phase 1 of the DOE program. During the first year (exactly, 8-month duration) of the on-going Phase 2, the high-efficiency XUV Lippmann holographic mirrors have been fabricated and their optical, physical, and material properties have been investigated over the entire XUV region (1--100nm). The XUV Bragg HOEs, based on dichromated gelatin (DCG) and on DCG/polymer grafts, have beenmore » recorded in the visible region (using an Innova Argo laser) and reconstructed using twelve XUV wavelengths. In addition, these phase high-resolution holographic materials have been shown to be suitable to direct x-ray laser holographic recording (using Princeton's x-ray laser). The volume x-ray holographic recording will be realized within the second year of the program effort.« less

Ultrafast time-resolved electron diffraction revealing the nonthermal dynamics of near-UV photoexcitation-induced amorphization in Ge2Sb2Te5.

PubMed

Hada, Masaki; Oba, Wataru; Kuwahara, Masashi; Katayama, Ikufumi; Saiki, Toshiharu; Takeda, Jun; Nakamura, Kazutaka G

2015-08-28

Because of their robust switching capability, chalcogenide glass materials have been used for a wide range of applications, including optical storages devices. These phase transitions are achieved by laser irradiation via thermal processes. Recent studies have suggested the potential of nonthermal phase transitions in the chalcogenide glass material Ge2Sb2Te5 triggered by ultrashort optical pulses; however, a detailed understanding of the amorphization and damage mechanisms governed by nonthermal processes is still lacking. Here we performed ultrafast time-resolved electron diffraction and single-shot optical pump-probe measurements followed by femtosecond near-ultraviolet pulse irradiation to study the structural dynamics of polycrystalline Ge2Sb2Te5. The experimental results present a nonthermal crystal-to-amorphous phase transition of Ge2Sb2Te5 initiated by the displacements of Ge atoms. Above the fluence threshold, we found that the permanent amorphization caused by multi-displacement effects is accompanied by a partial hexagonal crystallization.

Ultrafast time-resolved electron diffraction revealing the nonthermal dynamics of near-UV photoexcitation-induced amorphization in Ge2Sb2Te5

PubMed Central

Hada, Masaki; Oba, Wataru; Kuwahara, Masashi; Katayama, Ikufumi; Saiki, Toshiharu; Takeda, Jun; Nakamura, Kazutaka G.

2015-01-01

Because of their robust switching capability, chalcogenide glass materials have been used for a wide range of applications, including optical storages devices. These phase transitions are achieved by laser irradiation via thermal processes. Recent studies have suggested the potential of nonthermal phase transitions in the chalcogenide glass material Ge2Sb2Te5 triggered by ultrashort optical pulses; however, a detailed understanding of the amorphization and damage mechanisms governed by nonthermal processes is still lacking. Here we performed ultrafast time-resolved electron diffraction and single-shot optical pump-probe measurements followed by femtosecond near-ultraviolet pulse irradiation to study the structural dynamics of polycrystalline Ge2Sb2Te5. The experimental results present a nonthermal crystal-to-amorphous phase transition of Ge2Sb2Te5 initiated by the displacements of Ge atoms. Above the fluence threshold, we found that the permanent amorphization caused by multi-displacement effects is accompanied by a partial hexagonal crystallization. PMID:26314613

Fast Atomic-Scale Chemical Imaging of Crystalline Materials and Dynamic Phase Transformations.

PubMed

Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F; Spoerke, Erik David; Pan, Wei; Zuo, Jian Min

2016-04-13

Atomic-scale phenomena fundamentally influence materials form and function that makes the ability to locally probe and study these processes critical to advancing our understanding and development of materials. Atomic-scale chemical imaging by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) is a powerful approach to investigate solid crystal structures. Inefficient X-ray emission and collection, however, require long acquisition times (typically hundreds of seconds), making the technique incompatible with electron-beam sensitive materials and study of dynamic material phenomena. Here we describe an atomic-scale STEM-EDS chemical imaging technique that decreases the acquisition time to as little as one second, a reduction of more than 100 times. We demonstrate this new approach using LaAlO3 single crystal and study dynamic phase transformation in beam-sensitive Li[Li0.2Ni0.2Mn0.6]O2 (LNMO) lithium ion battery cathode material. By capturing a series of time-lapsed chemical maps, we show for the first time clear atomic-scale evidence of preferred Ni-mobility in LNMO transformation, revealing new kinetic mechanisms. These examples highlight the potential of this approach toward temporal, atomic-scale mapping of crystal structure and chemistry for investigating dynamic material phenomena.

Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures

DOE PAGES

Gludovatz, Bernd; Hohenwarter, Anton; Thurston, Keli V. S.; ...

2016-02-02

The high-entropy alloys are an intriguing new class of metallic materials that derive their properties not from a single dominant constituent, such as iron in steels, nor from the presence of a second phase, such as in nickel-base superalloys, but rather comprise multi-element systems that crystallize as a single phase, despite containing high concentrations (~20 at.%) of five or more elements with different crystal structures. Indeed, we have recently reported on one such single-phase high-entropy alloy, NiCoCrFeMn, which displays exceptional strength and toughness at cryogenic temperatures. Here which displays unprecedented strength-toughness properties that exceed those of all high-entropy alloys andmore » most multi-phase alloys. With roomtemperature tensile strengths of almost 1 GPa and KJIc fracture-toughness values above 200 MPa.m 1/2 (with crack-growth toughnesses exceeding 300 MPa.m 1/2), the strength, ductility and toughness of the NiCoCr alloy actually improve at cryogenic temperatures to unprecedented levels of strengths above 1.3 GPa, failure strains up to 90% and K JIc values of 275 MPa.m 1/2 (with crackgrowth toughnesses above 400 MPa.m 1/2). These properties appear to result from continuous steady strain hardening, which acts to suppress plastic instability, resulting from pronounced dislocation activity and deformation-induced nano-twinning.« less

Dual echelon femtosecond single-shot spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shin, Taeho; Wolfson, Johanna W.; Teitelbaum, Samuel W.

We have developed a femtosecond single-shot spectroscopic technique to measure irreversible changes in condensed phase materials in real time. Crossed echelons generate a two-dimensional array of time-delayed pulses with one femtosecond probe pulse. This yields 9 ps of time-resolved data from a single laser shot, filling a gap in currently employed measurement methods. We can now monitor ultrafast irreversible dynamics in solid-state materials or other samples that cannot be flowed or replenished between laser shots, circumventing limitations of conventional pump-probe methods due to sample damage or product buildup. Despite the absence of signal-averaging in the single-shot measurement, an acceptable signal-to-noisemore » level has been achieved via background and reference calibration procedures. Pump-induced changes in relative reflectivity as small as 0.2%−0.5% are demonstrated in semimetals, with both electronic and coherent phonon dynamics revealed by the data. The optical arrangement and the space-to-time conversion and calibration procedures necessary to achieve this level of operation are described. Sources of noise and approaches for dealing with them are discussed.« less

Benzil: 2-methyl-4-nitroaniline binary single crystals for nonlinear optical applications

NASA Astrophysics Data System (ADS)

Choi, Jaeho; Aggarwal, Mohan D.; Wang, Wen Shan; Penn, Benjamin G.; Frazier, Donald O.

1999-06-01

Benzil:MNA binary organic single crystals have been grown to overcome decomposition tendency and improve mechanical properties of 2-methyl-4-nitroaniline (MNA) which is known to be one of the best organic NLO material. Single crystals of binary system have grown using a transparent Bridgman- Stockbarger system which has fabricated to monitor the growth process. The growth conditions for the flat solid- liquid interface are optimized for the different dopant concentration of benzil. The melt in the self-sealing ampoule is maintained in liquid state without decomposition up to 2 weeks which allows us to grow 20 mm long single crystals. Hardness of 5wt% benzil:MNA is measured to be 13 Kg/mm2 which is 45% higher than benzil. The conversion efficiency of second-harmonic generation is found to be 1.5% with 4.5 mm interaction length. Since MNA is phase-matchable material, this efficiency could be comparable to commercial KDP. Surface quality of binary crystals has maintained its initial condition in air without absorption of water vapor which may be the main cause of surface degradation.

Attenuation properties of diagnostic x-ray shielding materials.

PubMed

Archer, B R; Fewell, T R; Conway, B J; Quinn, P W

1994-09-01

Single- and three-phase broad-beam x-ray attenuation data have been obtained using lead, steel, plate glass, gypsum wallboard, lead acrylic, and wood. Tube voltages of 50, 70, 100, 125, and 150 kVp were employed and the resulting curves were compared to transmission data found in the literature. To simplify computation of barrier requirements, all data sets were parametrized by nonlinear least-squares fit to a previously described mathematical model. High attenuation half value layers and the lead equivalence of the alternate materials were also determined.

Suppression of Boride Formation in Transient Liquid Phase Bonding of Pairings of Parent Superalloy Materials with Different Compositions and Grain Structures and Resulting Mechanical Properties

NASA Astrophysics Data System (ADS)

Steuer, Susanne; Singer, Robert F.

2014-07-01

Two Ni-based superalloys, columnar grained Alloy 247 and single-crystal PWA1483, are joined by transient liquid phase bonding using an amorphous brazing foil containing boron as a melting point depressant. At lower brazing temperatures, two different morphologies of borides develop in both base materials: plate-like and globular ones. Their ratio to each other is temperature dependent. With very high brazing temperatures, the deleterious boride formation in Alloy 247 can be totally avoided, probably because the three-phase-field moves to higher alloying element contents. For the superalloy PWA1483, the formation of borides cannot be completely avoided at high brazing temperatures as incipient melting occurs. During subsequent solidification of these areas, Chinese-script-like borides precipitate. The mechanical properties (tensile tests at room and elevated temperatures and short-term creep rupture tests at elevated temperatures) for brazed samples without boride precipitation are very promising. Tensile strengths and creep times to 1 pct strain are comparable, respectively, higher than the ones of the weaker parent material for all tested temperatures and creep conditions (from 90 to 100 pct rsp. 175 to 250 pct).

Spectrophotometric properties of materials observed by Pancam on the Mars Exploration Rovers: 2. Opportunity

USGS Publications Warehouse

Johnson, J. R.; Grundy, W.M.; Lemmon, M.T.; Bell, J.F.; Johnson, M.J.; Deen, R.; Arvidson, R. E.; Farrand, W. H.; Guinness, E.; Hayes, A.G.; Herkenhoff, K. E.; Seelos, F.; Soderblom, J.; Squyres, S.

2006-01-01

The Panoramic Camera (Pancam) on the Mars Exploration Rover Opportunity acquired visible/near-infrared multispectral observations of soils and rocks under varying viewing and illumination geometries that were modeled using radiative transfer theory to improve interpretations of the microphysical and surface scattering nature of materials in Meridiani Planum. Nearly 25,000 individual measurements were collected of rock and soil units identified by their color and morphologic properties over a wide range of phase angles (0-150??) at Eagle crater, in the surrounding plains, in Endurance crater, and in the plains between Endurance and Erebus craters through Sol 492. Corrections for diffuse skylight incorporated sky models based on observations of atmospheric opacity throughout the mission. Disparity maps created from Pancam stereo images allowed inclusion of local facet orientation estimates. Outcrop rocks overall exhibited the highest single scattering albedos (???0.9 at 753 nm), and most spherule-rich soils exhibited the lowest (???0.6 at 753 nm). Macroscopic roughness among outcrop rocks varied but was typically larger than spherule-rich soils. Data sets with sufficient phase angle coverage (resulting in well-constrained Hapke parameters) suggested that models using single-term and two-term Henyey-Greenstein phase functions exhibit a dominantly broad backscattering trend for most undisturbed spherule-rich soils. Rover tracks and other compressed soils exhibited forward scattering, while outcrop rocks were intermediate in their scattering behaviors. Some phase functions exhibited wavelength-dependent trends that may result from variations in thin deposits of airfall dust that occurred during the mission. Copyright 2006 by the American Geophysical Union.

Improved magnetic properties of barium hexaferrite by CoFe2O4 nanoparticles prepared by ultrasonic irradiation

NASA Astrophysics Data System (ADS)

Nastiti, G.; Manaf, A.

2017-07-01

Magnetic properties of composite magnets made of nanoparticles of Barium Hexaferrite (BHF) and CoFe2O4 were reported in this paper. The two types of magnetic particles have a high total magnetization value which was required for permanent magnet applications. Both CoFe2O4 and BHF were synthesized through mechanical alloying coupled with high-frequency ultrasonic irradiation. In this respect, mechanically milled BHF precursors was sintered at a temperature of 1250 °C for 2 hours leading to single-phase powders. A similar method was also employed in the preparation of CoFe2O4 materials, but this required a relatively longer sintering time up to 12 hours at a sintering temperature of 900 °C. Composite magnets were obtained after sintering the mechanically mixed the two types of nanoparticles as constituted components of the composite. The hysteresis loop of CoFe2O4 materials as evaluated by Vibrating Sample Magnetometer (VSM) showing soft magnetic phase with a total magnetization value of 0.47 T and a coercivity of 47.37 kA/m. It is shown that the magnetic properties of composite magnets are a composition dependent in which the remanent was enhanced above the value of an isotropic single phase BHF magnet. The enhancement in remanent magnetization raised the effect of grain exchange interaction between hard and soft magnetic phases. The microstructure studied by X-Ray diffraction (XRD), Particle Size Analyzer (PSA) and their respective enhancement in magnetic properties are discussed in detail in term of grain exchange interactions.

A coupled ductile fracture phase-field model for crystal plasticity

NASA Astrophysics Data System (ADS)

Hernandez Padilla, Carlos Alberto; Markert, Bernd

2017-07-01

Nowadays crack initiation and evolution play a key role in the design of mechanical components. In the past few decades, several numerical approaches have been developed with the objective to predict these phenomena. The objective of this work is to present a simplified, nonetheless representative phenomenological model to predict the crack evolution of ductile fracture in single crystals. The proposed numerical approach is carried out by merging a conventional elasto-plastic crystal plasticity model and a phase-field model modified to predict ductile fracture. A two-dimensional initial boundary value problem of ductile fracture is introduced considering a single-crystal setup and Nickel-base superalloy material properties. The model is implemented into the finite element context subjected to a quasi-static uniaxial tension test. The results are then qualitatively analyzed and briefly compared to current benchmark results in the literature.

STM Studies of Spin-­Orbit Coupled Phases in Real-­ and Momentum-­Space

DOE Office of Scientific and Technical Information (OSTI.GOV)

Madhavan, Vidya

The recently discovered class of spin-orbit coupled materials with interesting topological character are fascinating both from fundamental as well as application point of view. Two striking examples are 3D topological insulators (TIs) and topological crystalline insulators (TCIs). These materials host linearly dispersing (Dirac like) surface states with an odd number of Dirac nodes and are predicted to carry a quantized half-integer value of the axion field. The non-trivial topological properties of TIs and TCIs arise from strong spin-orbit coupling leading to an inverted band structure; which also leads to the chiral spin texture in momentum space. In this project wemore » used low temperature scanning tunneling microscopy (STM) and spectroscopy (STS) to study materials with topological phases in real- and momentum-space. We studied both single crystals and thin films of topological materials which are susceptible to being tuned by doping, strain or gating, allowing us to explore their physical properties in the most interesting regimes and set the stage for future technological applications. .« less

Synthesis, structure stability and magnetic properties of nanocrystalline Ag-Ni alloy

NASA Astrophysics Data System (ADS)

Santhi, Kalavathy; Thirumal, E.; Karthick, S. N.; Kim, Hee-Je; Nidhin, Marimuthu; Narayanan, V.; Stephen, A.

2012-05-01

Silver-nickel alloy nanoparticles with an average size of 30-40 nm were synthesized by chemically reducing the mixture of silver and nickel salts using sodium borohydride. The structure and the magnetic properties of the alloy samples with different compositions were investigated. The phase stability of the material was analysed after annealing the sample in vacuum at various temperatures. The material exhibits single fcc phase which is stable up to 400 °C and Ni precipitation sets in when the sample is annealed to 500 °C. The thermal analysis using DSC was carried out to confirm the same. The alloy compositions are found to be in close correlation with the metal salt ratios in the precursors. The synthesized samples exhibit weak paramagnetic to ferromagnetic behaviour. The magnetic measurements reveal that by adjusting the precursor ratio, the Ni content in the material can be altered and hence its magnetic properties tailored to suit specific requirements. The formation of Ag-Ni alloy is confirmed by the observed Curie temperature from the magneto thermogram. Annealing the sample helps to produce significant enhancement in the magnetization of the material.

Nucleation and atomic layer reaction in nickel silicide for defect-engineered Si nanochannels.

PubMed

Tang, Wei; Picraux, S Tom; Huang, Jian Yu; Gusak, Andriy M; Tu, King-Ning; Dayeh, Shadi A

2013-06-12

At the nanoscale, defects can significantly impact phase transformation processes and change materials properties. The material nickel silicide has been the industry standard electrical contact of silicon microelectronics for decades and is a rich platform for scientific innovation at the conjunction of materials and electronics. Its formation in nanoscale silicon devices that employ high levels of strain, intentional, and unintentional twins or grain boundaries can be dramatically different from the commonly conceived bulk processes. Here, using in situ high-resolution transmission electron microscopy (HRTEM), we capture single events during heterogeneous nucleation and atomic layer reaction of nickel silicide at various crystalline boundaries in Si nanochannels for the first time. We show through systematic experiments and analytical modeling that unlike other typical face-centered cubic materials such as copper or silicon the twin defects in NiSi2 have high interfacial energies. We observe that these twin defects dramatically change the behavior of new phase nucleation and can have direct implications for ultrascaled devices that are prone to defects or may utilize them to improve device performance.

Microstructural stability and mechanical behavior of FeNiMnCr high entropy alloy under ion irradiation

DOE PAGES

Leonard, Keith J.; Bei, Hongbin; Zinkle, Steven J.; ...

2016-05-13

In recent years, high entropy alloys (HEAs) have attracted significant attention due to their excellent mechanical properties and good corrosion resistance, making them potential candidates for high temperature fission and fusion structural applications. However there is very little known about their radiation resistance, particularly at elevated temperatures relevant for energy applications. In the present study, a single phase (face centered cubic) concentrated solid solution alloy of composition 27%Fe-28%Ni-27%Mn-18%Cr was irradiated with 3 or 5.8 MeV Ni ions at temperatures ranging from room temperature to 700 °C and midrange doses from 0.03 to 10 displacements per atom (dpa). Transmission electron microscopymore » (TEM), scanning transmission electron microscopy with energy dispersive x-ray spectrometry (STEM/EDS) and X-ray diffraction (XRD) were used to characterize the radiation defects and microstructural changes. Irradiation at higher temperatures showed evidence of relatively sluggish solute diffusion with limited solute depletion or enrichment at grain boundaries. The main microstructural feature at all temperatures was high-density small dislocation loops. Voids were not observed at any irradiation condition. Nano-indentation tests on specimens irradiated at room temperature showed a rapid increase in hardness ~35% and ~80% higher than the unirradiated value at 0.03 and 0.3 dpa midrange doses, respectively. The irradiation-induced hardening was less pronounced for 500 °C irradiations (<20% increase after 3 dpa). Overall, the examined HEA material exhibits superior radiation resistance compared to conventional single phase Fe-Cr-Ni austenitic alloys such as stainless steels. Furthermore, the present study provides insight on the fundamental irradiation behavior of a single phase HEA material over a broad range of irradiation temperatures.« less

Disk-Anchored Magnetic Propellers - A Cure for the SW Sex Syndrome

NASA Astrophysics Data System (ADS)

Horne, Keith

In AE Aqr, magnetic fields transfer energy and angular momentum from a rapidly-spinning white dwarf to material in the gas stream from the companion star, with the effect of spinning down the white dwarf while flinging the gas stream material out of the binary system. This magnetic propeller produces a host of observable signatures, chief among which are broad, single-peaked, flaring emission lines with phase-shifted orbital kinematics. SW Sex stars have accretion disks, but also broad, single-peaked, phase-shifted emission lines similar to those seen in AE Aqr. We propose that a magnetic propeller similar to that which operates in AE Aqr is also at work in SW Sex stars - and to some extent in all nova-like systems. The propeller is anchored in the inner accretion disk, rather than, or in addition to, the white dwarf. Energy and angular momentum are thereby extracted from the inner disk and transferred to gas-stream material flowing above the disk, which is consequently pitched out of the system. This provides a non-local, dissipationless angular-momentum-extraction mechanism, which should result in cool inner disks with temperature profiles flatter than T propto R^{-3/4}, as observed in eclipse mapping studies of nova-like variables. The disk-anchored magnetic propeller model appears to explain qualitatively most if not all of the peculiar features of the SW Sex syndrome.

Combining Microfluidics and Microrheology to Determine Rheological Properties of Soft Matter during Repeated Phase Transitions.

PubMed

Wehrman, Matthew D; Milstrey, Melissa J; Lindberg, Seth; Schultz, Kelly M

2018-04-19

The microstructure of soft matter directly impacts macroscopic rheological properties and can be changed by factors including colloidal rearrangement during previous phase changes and applied shear. To determine the extent of these changes, we have developed a microfluidic device that enables repeated phase transitions induced by exchange of the surrounding fluid and microrheological characterization while limiting shear on the sample. This technique is µ 2 rheology, the combination of microfluidics and microrheology. The microfluidic device is a two-layer design with symmetric inlet streams entering a sample chamber that traps the gel sample in place during fluid exchange. Suction can be applied far away from the sample chamber to pull fluids into the sample chamber. Material rheological properties are characterized using multiple particle tracking microrheology (MPT). In MPT, fluorescent probe particles are embedded into the material and the Brownian motion of the probes is recorded using video microscopy. The movement of the particles is tracked and the mean-squared displacement (MSD) is calculated. The MSD is related to macroscopic rheological properties, using the Generalized Stokes-Einstein Relation. The phase of the material is identified by comparison to the critical relaxation exponent, determined using time-cure superposition. Measurements of a fibrous colloidal gel illustrate the utility of the technique. This gel has a delicate structure that can be irreversibly changed when shear is applied. µ 2 rheology data shows that the material repeatedly equilibrates to the same rheological properties after each phase transition, indicating that phase transitions do not play a role in microstructural changes. To determine the role of shear, samples can be sheared prior to injection into our microfluidic device. µ 2 rheology is a widely applicable technique for the characterization of soft matter enabling the determination of rheological properties of delicate microstructures in a single sample during phase transitions in response to repeated changes in the surrounding environmental conditions.

Accessing the exceptional points of parity-time symmetric acoustics

PubMed Central

Shi, Chengzhi; Dubois, Marc; Chen, Yun; Cheng, Lei; Ramezani, Hamidreza; Wang, Yuan; Zhang, Xiang

2016-01-01

Parity-time (PT) symmetric systems experience phase transition between PT exact and broken phases at exceptional point. These PT phase transitions contribute significantly to the design of single mode lasers, coherent perfect absorbers, isolators, and diodes. However, such exceptional points are extremely difficult to access in practice because of the dispersive behaviour of most loss and gain materials required in PT symmetric systems. Here we introduce a method to systematically tame these exceptional points and control PT phases. Our experimental demonstration hinges on an active acoustic element that realizes a complex-valued potential and simultaneously controls the multiple interference in the structure. The manipulation of exceptional points offers new routes to broaden applications for PT symmetric physics in acoustics, optics, microwaves and electronics, which are essential for sensing, communication and imaging. PMID:27025443

Magnetic State of Quasiordered Fe-Al Alloys Doped with Ga and B: Magnetic Phase Separation and Spin Order

NASA Astrophysics Data System (ADS)

Voronina, E. V.; Ivanova, A. G.; Arzhnikov, A. K.; Chumakov, A. I.; Chistyakova, N. I.; Pyataev, A. V.; Korolev, A. V.

2018-04-01

Results of structural, magnetic, and Mössbauer studies of quasi ordered alloys Fe65Al35 - x M x ( M x = Ga, B; x = 0, 5 at %) are presented. The magnetic state of examined structurally-single-phase alloys at low temperatures is interpreted from the viewpoint of magnetic phase separation. An explanation is proposed for the observed behavior of magnetic characteristics of Fe65Al35 and Fe65Al30Ga5 in the framework of the model of two magnetic phases, a ferromagnetic-type one and a spin density wave. The boron-doped alloy Fe65Al30B5 is shown to demonstrate behavior that is typical of materials with the ferromagnetic type of ordering.

Systems and Methods of Laser Texturing of Material Surfaces and Their Applications

NASA Technical Reports Server (NTRS)

Gupta, Mool C. (Inventor); Nayak, Barada K. (Inventor)

2014-01-01

The surface of a material is textured and by exposing the surface to pulses from an ultrafast laser. The laser treatment causes pillars to form on the treated surface. These pillars provide for greater light absorption. Texturing and crystallization can be carried out as a single step process. The crystallization of the material provides for higher electric conductivity and changes in optical and electronic properties of the material. The method may be performed in vacuum or a gaseous environment. The gaseous environment may aid in texturing and/or modifying physical and chemical properties of the surfaces. This method may be used on various material surfaces, such as semiconductors, metals and their alloys, ceramics, polymers, glasses, composites, as well as crystalline, nanocrystalline, polycrystalline, microcrystalline, and amorphous phases.

Thermal and Chemical Characterization of Composite Materials. MSFC Center Director's Discretionary Fund Final Report, Project No. ED36-18

NASA Technical Reports Server (NTRS)

Stanley, D. C.; Huff, T. L.

2003-01-01

The purpose of this research effort was to: (1) provide a concise and well-defined property profile of current and developing composite materials using thermal and chemical characterization techniques and (2) optimize analytical testing requirements of materials. This effort applied a diverse array of methodologies to ascertain composite material properties. Often, a single method of technique will provide useful, but nonetheless incomplete, information on material composition and/or behavior. To more completely understand and predict material properties, a broad-based analytical approach is required. By developing a database of information comprised of both thermal and chemical properties, material behavior under varying conditions may be better understood. THis is even more important in the aerospace community, where new composite materials and those in the development stage have little reference data. For example, Fourier transform infrared (FTIR) spectroscopy spectral databases available for identification of vapor phase spectra, such as those generated during experiments, generally refer to well-defined chemical compounds. Because this method renders a unique thermal decomposition spectral pattern, even larger, more diverse databases, such as those found in solid and liquid phase FTIR spectroscopy libraries, cannot be used. By combining this and other available methodologies, a database specifically for new materials and materials being developed at Marshall Space Flight Center can be generated . In addition, characterizing materials using this approach will be extremely useful in the verification of materials and identification of anomalies in NASA-wide investigations.

bcc-iron as a promising new monochromator material for thermal neutrons

NASA Astrophysics Data System (ADS)

Kirscht, Patrick; Sobolev, Oleg; Eckold, Götz

2018-04-01

The development of high-performance neutron monochromators is a long-standing and still actual topic in neutron instrumentation. Due to its high scattering cross section, iron is a particularly interesting material since it offers the possibility to obtain high reflectivities at small wavelength and good resolution. Phase transitions between bcc- and fcc-phases hindered the growth of large and high-quality single crystals in the past and only recently bcc-crystals became commercially available. We have characterized the reflecting properties of as-grown and deformed crystals using γ-rays and thermal neutrons. Absolute reflectivities well above 30% for neutron wavelengths near 1 Å could be obtained that are superior to that of all other existing monochromator materials. Hence, the progress in crystal growth along with the knowledge of directed plastic deformation makes the development of bcc-Fe neutron monochromators feasible. Their application in crystal-monochromator instruments is suitable to increase the useful neutron flux at large energies considerably.

[The progress in speciation analysis of trace elements by atomic spectrometry].

PubMed

Wang, Zeng-Huan; Wang, Xu-Nuo; Ke, Chang-Liang; Lin, Qin

2013-12-01

The main purpose of the present work is to review the different non-chromatographic methods for the speciation analysis of trace elements in geological, environmental, biological and medical areas. In this paper, the sample processing methods in speciation analysis were summarized, and the main strategies for non-chromatographic technique were evaluated. The basic principles of the liquid extractions proposed in the published literatures recently and their advantages and disadvantages were discussed, such as conventional solvent extraction, cloud point extraction, single droplet microextraction, and dispersive liquid-liquid microextraction. Solid phase extraction, as a non-chromatographic technique for speciation analysis, can be used in batch or in flow detection, and especially suitable for the online connection to atomic spectrometric detector. The developments and applications of sorbent materials filled in the columns of solid phase extraction were reviewed. The sorbents include chelating resins, nanometer materials, molecular and ion imprinted materials, and bio-sorbents. Other techniques, e. g. hydride generation technique and coprecipitation, were also reviewed together with their main applications.

Time-domain separation of optical properties from structural transitions in resonantly bonded materials.

PubMed

Waldecker, Lutz; Miller, Timothy A; Rudé, Miquel; Bertoni, Roman; Osmond, Johann; Pruneri, Valerio; Simpson, Robert E; Ernstorfer, Ralph; Wall, Simon

2015-10-01

The extreme electro-optical contrast between crystalline and amorphous states in phase-change materials is routinely exploited in optical data storage and future applications include universal memories, flexible displays, reconfigurable optical circuits, and logic devices. Optical contrast is believed to arise owing to a change in crystallinity. Here we show that the connection between optical properties and structure can be broken. Using a combination of single-shot femtosecond electron diffraction and optical spectroscopy, we simultaneously follow the lattice dynamics and dielectric function in the phase-change material Ge2Sb2Te5 during an irreversible state transformation. The dielectric function changes by 30% within 100 fs owing to a rapid depletion of electrons from resonantly bonded states. This occurs without perturbing the crystallinity of the lattice, which heats with a 2-ps time constant. The optical changes are an order of magnitude larger than those achievable with silicon and present new routes to manipulate light on an ultrafast timescale without structural changes.

Real-Time Observation of Order-Disorder Transformation of Organic Cations Induced Phase Transition and Anomalous Photoluminescence in Hybrid Perovskites.

PubMed

Yang, Bin; Ming, Wenmei; Du, Mao-Hua; Keum, Jong K; Puretzky, Alexander A; Rouleau, Christopher M; Huang, Jinsong; Geohegan, David B; Wang, Xiaoping; Xiao, Kai

2018-05-01

A fundamental understanding of the interplay between the microscopic structure and macroscopic optoelectronic properties of organic-inorganic hybrid perovskite materials is essential to design new materials and improve device performance. However, how exactly the organic cations affect the structural phase transition and optoelectronic properties of the materials is not well understood. Here, real-time, in situ temperature-dependent neutron/X-ray diffraction and photoluminescence (PL) measurements reveal a transformation of the organic cation CH 3 NH 3 + from order to disorder with increasing temperature in CH 3 NH 3 PbBr 3 perovskites. The molecular-level order-to-disorder transformation of CH 3 NH 3 + not only leads to an anomalous increase in PL intensity, but also results in a multidomain to single-domain structural transition. This discovery establishes the important role that organic cation ordering has in dictating structural order and anomalous optoelectronic phenomenon in hybrid perovskites. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reducing mechanical cross-coupling in phased array transducers using stop band material as backing

NASA Astrophysics Data System (ADS)

Henneberg, J.; Gerlach, A.; Storck, H.; Cebulla, H.; Marburg, S.

2018-06-01

Phased array transducers are widely used for acoustic imaging and surround sensing applications. A major design challenge is the achievement of low mechanical cross-coupling between the single transducer elements. Cross-coupling induces a loss of imaging resolution. In this work, the mechanical cross-coupling between acoustic transducers is investigated for a generic model. The model contains a common backing with two bending elements bonded on top. The dimensions of the backing are small; thus, wave reflections on the backing edges have to be considered. This is different to other researches. The operating frequency in the generic model is set to a low kHz range. Low operating frequencies are typical for surround sensing applications. The influence of the backing on cross-coupling is investigated numerically. In order to reduce mechanical cross-coupling a stop band material is designed. It is shown numerically that a reduction in mechanical cross-coupling can be achieved by using stop band material as backing. The effect is validated with experimental testing.

The expanding materials multiverse

NASA Astrophysics Data System (ADS)

Powell, Ben J.

2018-06-01

High-energy physicists are limited to studying a single vacuum and its excitations, the particles of the standard model. For condensed-matter physicists, every new phase of matter brings a new “‘vacuum.” Remarkably, the low-energy excitations of these new vacua can be very different from the individual electrons, protons, and neutrons that constitute the material. The materials multiverse contains universes where the particle-like excitations carry only a fraction of the elementary electronic charge (1), are magnetic monopoles (2), or are their own antiparticles (3). None of these properties have ever been observed in the particles found in free space. Often, emergent gauge fields accompany these “fractionalized” particles (2, 4, 5), just as electromagnetic gauge fields accompany charged particles. On page 1101 of this issue, Hassan et al. (6) provide a glimpse of the emergent behaviors of a putative new phase of matter, the dipole liquid. What particles live in this universe, and what new physics is found in this and neighboring parts of the multiverse?

Special Workshop: Kolsky/Split Hopkinson Pressure Bar Testing of Ceramics

DTIC Science & Technology

2006-09-01

merit) control armor performance and how these properties are controlled/ influenced by intrinsic (crystal structure, phase transitions, and single...reproducibility uncertainties (estimates of precision) could be quantified and also identify key parameters that should be controlled in SHPB/Kolsky testing...control performance? Are there figures of merit? How are the mechanical properties influenced by intrinsic and extrinsic material characteristics

Phase Transitions of Thermoelectric TAGS-85.

PubMed

Kumar, Anil; Vermeulen, Paul A; Kooi, Bart J; Rao, Jiancun; van Eijck, Lambert; Schwarzmüller, Stefan; Oeckler, Oliver; Blake, Graeme R

2017-12-18

The alloys (GeTe) x (AgSbTe 2 ) 100-x , commonly known as TAGS-x, are among the best performing p-type thermoelectric materials for the composition range 80 ≤ x ≤ 90 and in the temperature range 200-500 °C. They adopt a rhombohedrally distorted rocksalt structure at room temperature and are reported to undergo a reversible phase transition to a cubic structure at ∼250 °C. However, we show that, for the optimal x = 85 composition (TAGS-85), both the structural and thermoelectric properties are highly sensitive to the initial synthesis method employed. Single-phase rhombohedral samples exhibit the best thermoelectric properties but can only be obtained after an annealing step at 600 °C during initial cooling from the melt. Under faster cooling conditions, the samples obtained are inhomogeneous, containing multiple rhombohedral phases with a range of lattice parameters and exhibiting inferior thermoelectric properties. We also find that when the room-temperature rhombohedral phase is heated, an intermediate trigonal structure containing ordered cation vacancy layers is formed at ∼200 °C, driven by the spontaneous precipitation of argyrodite-type Ag 8 GeTe 6 which alters the stoichiometry of the TAGS-85 matrix. The rhombohedral and trigonal phases of TAGS-85 coexist up to 380 °C, above which a single cubic phase is obtained and the Ag 8 GeTe 6 precipitates redissolve into the matrix. On subsequent cooling a mixture of rhombohedral, trigonal, and Ag 8 GeTe 6 phases is again obtained. Initially single-phase samples exhibit thermoelectric power factors of up to 0.0035 W m -1 K -2 at 500 °C, a value that is maintained on subsequent thermal cycling and which represents the highest power factor yet reported for undoped TAGS-85. Therefore, control over the structural homogeneity of TAGS-85 as demonstrated here is essential in order to optimize the thermoelectric performance.

Simultaneous Measurement of Thermal Conductivity and Specific Heat in a Single TDTR Experiment

NASA Astrophysics Data System (ADS)

Sun, Fangyuan; Wang, Xinwei; Yang, Ming; Chen, Zhe; Zhang, Hang; Tang, Dawei

2018-01-01

Time-domain thermoreflectance (TDTR) technique is a powerful thermal property measurement method, especially for nano-structures and material interfaces. Thermal properties can be obtained by fitting TDTR experimental data with a proper thermal transport model. In a single TDTR experiment, thermal properties with different sensitivity trends can be extracted simultaneously. However, thermal conductivity and volumetric heat capacity usually have similar trends in sensitivity for most materials; it is difficult to measure them simultaneously. In this work, we present a two-step data fitting method to measure the thermal conductivity and volumetric heat capacity simultaneously from a set of TDTR experimental data at single modulation frequency. This method takes full advantage of the information carried by both amplitude and phase signals; it is a more convenient and effective solution compared with the frequency-domain thermoreflectance method. The relative error is lower than 5 % for most cases. A silicon wafer sample was measured by TDTR method to verify the two-step fitting method.

Preferentially oriented, High temperature superconductors by seeding and a method for their preparation

DOEpatents

Lee, Dominic F.; Kroeger, Donald M.; Goyal, Amit

2001-01-01

A multi-domained bulk REBa.sub.2 Cu.sub.3 O.sub.x with low-angle domain boundaries which resembles a quasi-single domained material and a method for producing the same comprising arranging multiple seeds, which can be small single crystals, single domained melt-textured REBa.sub.2 Cu.sub.3 O.sub.x pieces, textured substrates comprised of grains with low misorientation angles, or thick film REBa.sub.2 Cu.sub.3 O.sub.x deposited on such textured substrate, such seeds being tailored for various REBa.sub.2 Cu.sub.3 O.sub.x compounds, in specific pattern and relative seed orientations on a superconductor precursor material which may be placed in contact with a porous substrate so as to reduce the amount of liquid phase in the melt. Because seeds can be arranged in virtually any pattern, high quality REBa.sub.2 Cu.sub.3 O.sub.x elements of virtually unlimited size and complex geometry can be fabricated.

Method for preparing preferentially oriented, high temperature superconductors using solution reagents

DOEpatents

Lee, Dominic F.; Kroeger, Donald M.; Goyal, Amit

2002-01-01

A multi-domained bulk REBa.sub.2 CU.sub.3 O.sub.x with low-angle domain boundaries which resemble a quasi-single domained material and a method for producing the same comprising arranging multiple seeds, which can be small single crystals, single domained melt-textured REBa.sub.2 CU.sub.3 O.sub.x pieces, textured substrates comprises of grains with low misorientation angles, or thick film REBa.sub.2 CU.sub.3 O.sub.x deposited on such textured substrate, such seeds being tailored for various REBa.sub.2 CU.sub.3 O.sub.x compounds, in specific pattern and relative seed orientations on a superconductor precursor material which may be placed in contact with a porous substrate so as to reduce the amount of liquid phase in the melt. Because seeds can be arranged in virtually any pattern, high quality REBa.sub.2 CU.sub.3 O.sub.x elements of virtually unlimited size and complex geometry can be fabricated.

Intensity correlation measurement system by picosecond single shot soft x-ray laser.

PubMed

Kishimoto, Maki; Namikawa, Kazumichi; Sukegawa, Kouta; Yamatani, Hiroshi; Hasegawa, Noboru; Tanaka, Momoko

2010-01-01

We developed a new soft x-ray speckle intensity correlation spectroscopy system by use of a single shot high brilliant plasma soft x-ray laser. The plasma soft x-ray laser is characterized by several picoseconds in pulse width, more than 90% special coherence, and 10(11) soft x-ray photons within a single pulse. We developed a Michelson type delay pulse generator using a soft x-ray beam splitter to measure the intensity correlation of x-ray speckles from materials and succeeded in generating double coherent x-ray pulses with picosecond delay times. Moreover, we employed a high-speed soft x-ray streak camera for the picosecond time-resolved measurement of x-ray speckles caused by double coherent x-ray pulse illumination. We performed the x-ray speckle intensity correlation measurements for probing the relaxation phenomena of polarizations in polarization clusters in the paraelectric phase of the ferroelectric material BaTiO(3) near its Curie temperature and verified its performance.

Large magnetoelectric coupling in magnetically short-range ordered Bi₅Ti₃FeO₁₅ film.

PubMed

Zhao, Hongyang; Kimura, Hideo; Cheng, Zhenxiang; Osada, Minoru; Wang, Jianli; Wang, Xiaolin; Dou, Shixue; Liu, Yan; Yu, Jianding; Matsumoto, Takao; Tohei, Tetsuya; Shibata, Naoya; Ikuhara, Yuichi

2014-06-11

Multiferroic materials, which offer the possibility of manipulating the magnetic state by an electric field or vice versa, are of great current interest. However, single-phase materials with such cross-coupling properties at room temperature exist rarely in nature; new design of nano-engineered thin films with a strong magneto-electric coupling is a fundamental challenge. Here we demonstrate a robust room-temperature magneto-electric coupling in a bismuth-layer-structured ferroelectric Bi₅Ti₃FeO₁₅ with high ferroelectric Curie temperature of ~1000 K. Bi₅Ti₃FeO₁₅ thin films grown by pulsed laser deposition are single-phase layered perovskit with nearly (00l)-orientation. Room-temperature multiferroic behavior is demonstrated by a large modulation in magneto-polarization and magneto-dielectric responses. Local structural characterizations by transmission electron microscopy and Mössbauer spectroscopy reveal the existence of Fe-rich nanodomains, which cause a short-range magnetic ordering at ~620 K. In Bi₅Ti₃FeO₁₅ with a stable ferroelectric order, the spin canting of magnetic-ion-based nanodomains via the Dzyaloshinskii-Moriya interaction might yield a robust magneto-electric coupling of ~400 mV/Oe·cm even at room temperature.

Electrical Properties of Bismuth/Lithium-Cosubstituted Strontium Titanate Ceramics

NASA Astrophysics Data System (ADS)

Alkathy, Mahmoud. S.; James Raju, K. C.

2018-03-01

Sr(1-x)(Bi,Li) x TiO3 compound was prepared via a solid-state reaction route with microwave heating of the starting materials. X-ray diffraction analysis revealed pure perovskite phase without formation of any secondary phases. The electrical conductivity was studied as a function of temperature and frequency. The experimental results indicate that the alternating-current (AC) conductivity increased with frequency, following the Jonscher power law. To interpret the possible mechanism for electrical conduction, the correlated barrier hopping model was applied. The effect of temperature and the Bi/Li concentration on the electrical resistivity was studied. The results showed that the electrical resistivity decreased with increasing temperature, which could be due to increased thermal energy of electrons. Also, the electrical resistivity decreased with increase in the amount of Bi and Li, which could be due to increased concentration of structural defects, which could increase the number of either electrons or holes available for conduction. A single semicircular arc corresponding to a single relaxation process was observed for all the investigated ceramics, suggesting a grain contribution to the total resistance in these materials. Arrhenius plots were used to obtain the activation energy for the samples.

Modeling the Role of Dislocation Substructure During Class M and Exponential Creep. Revised

NASA Technical Reports Server (NTRS)

Raj, S. V.; Iskovitz, Ilana Seiden; Freed, A. D.

1995-01-01

The different substructures that form in the power-law and exponential creep regimes for single phase crystalline materials under various conditions of stress, temperature and strain are reviewed. The microstructure is correlated both qualitatively and quantitatively with power-law and exponential creep as well as with steady state and non-steady state deformation behavior. These observations suggest that creep is influenced by a complex interaction between several elements of the microstructure, such as dislocations, cells and subgrains. The stability of the creep substructure is examined in both of these creep regimes during stress and temperature change experiments. These observations are rationalized on the basis of a phenomenological model, where normal primary creep is interpreted as a series of constant structure exponential creep rate-stress relationships. The implications of this viewpoint on the magnitude of the stress exponent and steady state behavior are discussed. A theory is developed to predict the macroscopic creep behavior of a single phase material using quantitative microstructural data. In this technique the thermally activated deformation mechanisms proposed by dislocation physics are interlinked with a previously developed multiphase, three-dimensional. dislocation substructure creep model. This procedure leads to several coupled differential equations interrelating macroscopic creep plasticity with microstructural evolution.

Electrical Properties of Bismuth/Lithium-Cosubstituted Strontium Titanate Ceramics

NASA Astrophysics Data System (ADS)

Alkathy, Mahmoud. S.; James Raju, K. C.

2018-07-01

Sr(1- x)(Bi,Li) x TiO3 compound was prepared via a solid-state reaction route with microwave heating of the starting materials. X-ray diffraction analysis revealed pure perovskite phase without formation of any secondary phases. The electrical conductivity was studied as a function of temperature and frequency. The experimental results indicate that the alternating-current (AC) conductivity increased with frequency, following the Jonscher power law. To interpret the possible mechanism for electrical conduction, the correlated barrier hopping model was applied. The effect of temperature and the Bi/Li concentration on the electrical resistivity was studied. The results showed that the electrical resistivity decreased with increasing temperature, which could be due to increased thermal energy of electrons. Also, the electrical resistivity decreased with increase in the amount of Bi and Li, which could be due to increased concentration of structural defects, which could increase the number of either electrons or holes available for conduction. A single semicircular arc corresponding to a single relaxation process was observed for all the investigated ceramics, suggesting a grain contribution to the total resistance in these materials. Arrhenius plots were used to obtain the activation energy for the samples.

Ferroelectric-ferromagnetic coupling in hexagonal YMnO3 film

NASA Astrophysics Data System (ADS)

Cheng, Shaobo; Li, Menglei; Deng, Shiqing; Bao, Shanyong; Tang, Peizhe; Duan, Wenhui; Ma, Jing; Nan, Cewen; Zhu, Jing

Simultaneously achieving ferroelectricity and ferromagnetism in a single phase material is an important research topic in recent decades. Here, we demonstrate that with the modulation of oxygen vacancies, the ferroelectric-ferromagnetic coupling can be realized in the typical hexagonal manganite: YMnO3. The first-principal calculations are used to reveal the importance of oxygen vacancies on the alterations of magnetic behaviors for YMnO3. In order to obtain net magnetic moments, the on-top oxygen vacancies of MnO5 clusters should be created, thus the initial 2D spin frustration structure of Mn ions will be broken. By growing YMnO3 film on Al2O3 substrate, large in-plane compressive strain is induced, thus we can experimentally realize the on-top oxygen vacancies. With the help of SQUID and spherical aberration corrected TEM, the magnetic moments are experimentally measured and the correlations between the crystal structures and magnetic properties can be clearly understood. Our findings may pave a way for future applications of single phase multiferroic materials. National 973 Project of China (2015CB654902, 2011CB606405) and Chinese National Natural Science Foundation (11374174, 51390471).

Single-Phase Concentrated Solid-Solution Alloys: Bridging Intrinsic Transport Properties and Irradiation Resistance

DOE PAGES

Jin, Ke; Bei, Hongbin

2018-04-30

Single-phase concentrated solid-solution alloys (SP-CSAs), including high entropy alloys (HEAs), are compositionally complex but structurally simple, and provide a playground of tailoring material properties through modifying their compositional complexity. The recent progress in understanding the compositional effects on the energy and mass transport properties in a series of face-centered-cubic SP-CSAs is the focus of this review. Relatively low electrical and thermal conductivities, as well as small separations between the interstitial and vacancy migration barriers have been generally observed, but largely depend on the alloying constituents. We further discuss the impact of such intrinsic transport properties on their irradiation response; themore » linkage to the delayed damage accumulation, slow defect aggregation, and suppressed irradiation induced swelling and segregation has been presented. We emphasize that the number of alloying elements may not be a critical factor on both transport properties and the defect behaviors under ion irradiations. Furthermore, the recent findings have stimulated novel concepts in the design of new radiation-tolerant materials, but further studies are demanded to enable predictive models that can quantitatively bridge the transport properties to the radiation damage.« less

Single-Phase Concentrated Solid-Solution Alloys: Bridging Intrinsic Transport Properties and Irradiation Resistance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Ke; Bei, Hongbin

Single-phase concentrated solid-solution alloys (SP-CSAs), including high entropy alloys (HEAs), are compositionally complex but structurally simple, and provide a playground of tailoring material properties through modifying their compositional complexity. The recent progress in understanding the compositional effects on the energy and mass transport properties in a series of face-centered-cubic SP-CSAs is the focus of this review. Relatively low electrical and thermal conductivities, as well as small separations between the interstitial and vacancy migration barriers have been generally observed, but largely depend on the alloying constituents. We further discuss the impact of such intrinsic transport properties on their irradiation response; themore » linkage to the delayed damage accumulation, slow defect aggregation, and suppressed irradiation induced swelling and segregation has been presented. We emphasize that the number of alloying elements may not be a critical factor on both transport properties and the defect behaviors under ion irradiations. Furthermore, the recent findings have stimulated novel concepts in the design of new radiation-tolerant materials, but further studies are demanded to enable predictive models that can quantitatively bridge the transport properties to the radiation damage.« less