Structural transformations and disordering in zirconolite (CaZrTi2O7) at high pressure.

PubMed

Salamat, Ashkan; McMillan, Paul F; Firth, Steven; Woodhead, Katherine; Hector, Andrew L; Garbarino, Gaston; Stennett, Martin C; Hyatt, Neil C

2013-02-04

There is interest in identifying novel materials for use in radioactive waste applications and studying their behavior under high pressure conditions. The mineral zirconolite (CaZrTi(2)O(7)) exists naturally in trace amounts in diamond-bearing deep-seated metamorphic/igneous environments, and it is also identified as a potential ceramic phase for radionuclide sequestration. However, it has been shown to undergo radiation-induced metamictization resulting in amorphous forms. In this study we probed the high pressure structural properties of this pyrochlore-like structure to study its phase transformations and possible amorphization behavior. Combined synchrotron X-ray diffraction and Raman spectroscopy studies reveal a series of high pressure phase transformations. Starting from the ambient pressure monoclinic structure, an intermediate phase with P2(1)/m symmetry is produced above 15.6 GPa via a first order transformation resulting in a wide coexistence range. Upon compression to above 56 GPa a disordered metastable phase III with a cotunnite-related structure appears that is recoverable to ambient conditions. We examine the similarity between the zirconolite behavior and the structural evolution of analogous pyrochlore systems under pressure.

Transformation-Induced Diffraction Peak Broadening During Bainitic and Martensitic Transformations Under Small External Loads in a Quenched and Tempered High Strength Steel

NASA Astrophysics Data System (ADS)

Dutta, R. K.; Huizenga, R. M.; Amirthalingam, M.; Hermans, M. J. M.; King, A.; Richardson, I. M.

2013-09-01

In situ phase transformation behavior of a high strength S690QL1 steel during continuous cooling under different mechanical loading conditions has been used to investigate the effect of small external loads on the transformation-induced plasticity during bainitic and martensitic transformations. The results show that during phase transformations, the untransformed austenite undergoes plastic deformation, thereby retarding further transformation to bainite/martensite. This occurs independent of external load.

Deformation and Failure Mechanisms of Shape Memory Alloys

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

Daly, Samantha Hayes

2015-04-15

The goal of this research was to understand the fundamental mechanics that drive the deformation and failure of shape memory alloys (SMAs). SMAs are difficult materials to characterize because of the complex phase transformations that give rise to their unique properties, including shape memory and superelasticity. These phase transformations occur across multiple length scales (one example being the martensite-austenite twinning that underlies macroscopic strain localization) and result in a large hysteresis. In order to optimize the use of this hysteretic behavior in energy storage and damping applications, we must first have a quantitative understanding of this transformation behavior. Prior resultsmore » on shape memory alloys have been largely qualitative (i.e., mapping phase transformations through cracked oxide coatings or surface morphology). The PI developed and utilized new approaches to provide a quantitative, full-field characterization of phase transformation, conducting a comprehensive suite of experiments across multiple length scales and tying these results to theoretical and computational analysis. The research funded by this award utilized new combinations of scanning electron microscopy, diffraction, digital image correlation, and custom testing equipment and procedures to study phase transformation processes at a wide range of length scales, with a focus at small length scales with spatial resolution on the order of 1 nanometer. These experiments probe the basic connections between length scales during phase transformation. In addition to the insights gained on the fundamental mechanisms driving transformations in shape memory alloys, the unique experimental methodologies developed under this award are applicable to a wide range of solid-to-solid phase transformations and other strain localization mechanisms.« less

Large tensile superelasticity from intermartensitic transformations in Ni49Mn28Ga23 single crystal

NASA Astrophysics Data System (ADS)

Chernenko, V. A.; Villa, E.; Salazar, D.; Barandiaran, J. M.

2016-02-01

A multistep superelastic behavior, with up to a 12% strain, is reported in a <001>P-oriented Ni49Mn28Ga23 single crystal. The observed behavior is produced by intermartensitic transformations during the tensile stress-strain measurements at temperatures between -140 °C and +60 °C. The tensile stress-temperature phase diagram and the stress dependence of the intermartensitic transformation entropies have been obtained. These results provide important input for theoretical modeling of the phase transformations in these alloys and show promising mechanical properties of the classical Ni-Mn-Ga ferromagnetic shape memory alloys.

Micromechanics of transformation fields in ageing linear viscoelastic composites: effects of phase dissolution or precipitation

NASA Astrophysics Data System (ADS)

Honorio, Tulio

2017-11-01

Transformation fields, in an affine formulation characterizing mechanical behavior, describe a variety of physical phenomena regardless their origin. Different composites, notably geomaterials, present a viscoelastic behavior, which is, in some cases of industrial interest, ageing, i.e. it evolves independently with respect to time and loading time. Here, a general formulation of the micromechanics of prestressed or prestrained composites in Ageing Linear Viscoelasticity (ALV) is presented. Emphasis is put on the estimation of effective transformation fields in ALV. The result generalizes Ageing Linear Thermo- and Poro-Viscoelasticity and it can be used in approaches coping with a phase transformation. Additionally, the results are extended to the case of locally transforming materials due to non-coupled dissolution and/or precipitation of a given (elastic or viscoelastic) phase. The estimations of locally transforming composites can be made with respect to different morphologies. As an application, estimations of the coefficient of thermal expansion of a hydrating alite paste are presented.

A study of stress-induced phase transformation and micromechanical behavior of CuZr-based alloy by in-situ neutron diffraction

DOE PAGES

Wang, Dongmei; Mu, Juan; Chen, Yan; ...

2017-03-01

The stress-induced phase transformation and micromechanical behavior of CuZr-based alloy were investigated by in-situ neutron diffraction. The pseudoelastic behavior with a pronounced strain-hardening effect is observed. The retained martensite nuclei and the residual stress obtained from the 1st cycle reduce the stress threshold for the martensitic transformation. A critical stress level is required for the reverse martensitic transformation from martensite to B2 phase. An increase of intensity for the B2 (110) plane in the 1st cycle is caused by the twinning along the {112}<111> twinning system. The convoluted stress partitioning influenced by the elastic and transformation anisotropy along with themore » newly formed martensite determines the microstress partitioning of the studied CuZr-based alloy. The reversible martensitic transformation is responsible for the pseudoelasticity. The macro mechanical behavior of the pure B2 phase can be divided into 3 stages, which are mediated by the evolvement of the martensitic transformation. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).« less

A study of stress-induced phase transformation and micromechanical behavior of CuZr-based alloy by in-situ neutron diffraction

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

Wang, Dongmei; Mu, Juan; Chen, Yan

The stress-induced phase transformation and micromechanical behavior of CuZr-based alloy were investigated by in-situ neutron diffraction. The pseudoelastic behavior with a pronounced strain-hardening effect is observed. The retained martensite nuclei and the residual stress obtained from the 1st cycle reduce the stress threshold for the martensitic transformation. A critical stress level is required for the reverse martensitic transformation from martensite to B2 phase. An increase of intensity for the B2 (110) plane in the 1st cycle is caused by the twinning along the {112}<111> twinning system. The convoluted stress partitioning influenced by the elastic and transformation anisotropy along with themore » newly formed martensite determines the microstress partitioning of the studied CuZr-based alloy. The reversible martensitic transformation is responsible for the pseudoelasticity. The macro mechanical behavior of the pure B2 phase can be divided into 3 stages, which are mediated by the evolvement of the martensitic transformation. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).« less

Phase transformation pathways of ultrafast-laser-irradiated Ln2O3 (Ln =Er -Lu )

NASA Astrophysics Data System (ADS)

Rittman, Dylan R.; Tracy, Cameron L.; Chen, Chien-Hung; Solomon, Jonathan M.; Asta, Mark; Mao, Wendy L.; Yalisove, Steven M.; Ewing, Rodney C.

2018-01-01

Ultrafast laser irradiation causes intense electronic excitations in materials, leading to transient high temperatures and pressures. Here, we show that ultrafast laser irradiation drives an irreversible cubic-to-monoclinic phase transformation in Ln2O3 (Ln =Er -Lu ), and explore the mechanism by which the phase transformation occurs. A combination of grazing incidence x-ray diffraction and transmission electron microscopy are used to determine the magnitude and depth-dependence of the phase transformation, respectively. Although all compositions undergo the same transformation, their transformation mechanisms differ. The transformation is pressure-driven for Ln =Tm -Lu , consistent with the material's phase behavior under equilibrium conditions. However, the transformation is thermally driven for Ln =Er , revealing that the nonequilibrium conditions of ultrafast laser irradiation can lead to novel transformation pathways. Ab initio molecular-dynamics simulations are used to examine the atomic-scale effects of electronic excitation, showing the production of oxygen Frenkel pairs and the migration of interstitial oxygen to tetrahedrally coordinated constitutional vacancy sites, the first step in a defect-driven phase transformation.

Phase transformation pathways of ultrafast-laser-irradiated Ln 2 O 3 ( Ln = Er – Lu )

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

Rittman, Dylan R.; Tracy, Cameron L.; Chen, Chien-Hung

Ultrafast laser irradiation causes intense electronic excitations in materials, leading to transient high temperatures and pressures. Here, we show that ultrafast laser irradiation drives an irreversible cubic-to-monoclinic phase transformation in Ln 2O 3 ( Ln = Er – Lu ) , and explore the mechanism by which the phase transformation occurs. A combination of grazing incidence x-ray diffraction and transmission electron microscopy are used to determine the magnitude and depth-dependence of the phase transformation, respectively. Although all compositions undergo the same transformation, their transformation mechanisms differ. The transformation is pressure-driven for Ln = Tm – Lu , consistent with themore » material's phase behavior under equilibrium conditions. However, the transformation is thermally driven for Ln = Er , revealing that the nonequilibrium conditions of ultrafast laser irradiation can lead to novel transformation pathways. Ab initio molecular-dynamics simulations are used to examine the atomic-scale effects of electronic excitation, showing the production of oxygen Frenkel pairs and the migration of interstitial oxygen to tetrahedrally coordinated constitutional vacancy sites, the first step in a defect-driven phase transformation.« less

Phase transformation pathways of ultrafast-laser-irradiated Ln 2 O 3 ( Ln = Er – Lu )

DOE PAGES

Rittman, Dylan R.; Tracy, Cameron L.; Chen, Chien-Hung; ...

2018-01-10

Ultrafast laser irradiation causes intense electronic excitations in materials, leading to transient high temperatures and pressures. Here, we show that ultrafast laser irradiation drives an irreversible cubic-to-monoclinic phase transformation in Ln 2O 3 ( Ln = Er – Lu ) , and explore the mechanism by which the phase transformation occurs. A combination of grazing incidence x-ray diffraction and transmission electron microscopy are used to determine the magnitude and depth-dependence of the phase transformation, respectively. Although all compositions undergo the same transformation, their transformation mechanisms differ. The transformation is pressure-driven for Ln = Tm – Lu , consistent with themore » material's phase behavior under equilibrium conditions. However, the transformation is thermally driven for Ln = Er , revealing that the nonequilibrium conditions of ultrafast laser irradiation can lead to novel transformation pathways. Ab initio molecular-dynamics simulations are used to examine the atomic-scale effects of electronic excitation, showing the production of oxygen Frenkel pairs and the migration of interstitial oxygen to tetrahedrally coordinated constitutional vacancy sites, the first step in a defect-driven phase transformation.« less

High-pressure phase transitions, amorphization, and crystallization behaviors in Bi2Se3.

PubMed

Zhao, Jinggeng; Liu, Haozhe; Ehm, Lars; Dong, Dawei; Chen, Zhiqiang; Gu, Genda

2013-03-27

The phase transition, amorphization, and crystallization behaviors of the topological insulator bismuth selenide (Bi2Se3) were discovered by performing in situ high-pressure angle-dispersive x-ray diffraction experiments during an increasing, decreasing, and recycling pressure process. In the compression process, Bi2Se3 transforms from the original rhombohedral structure (phase I(A)) to a monoclinic structure (phase II) at about 10.4 GPa, and further to a body-centered tetragonal structure (phase III) at about 24.5 GPa. When releasing pressure to ambient conditions after the complete transformation from phase II to III, Bi2Se3 becomes an amorphous solid (AM). In the relaxation process from this amorphous state, Bi2Se3 starts crystallizing into an orthorhombic structure (phase I(B)) about five hours after releasing the pressure to ambient. A review of the pressure-induced phase transition behaviors of A2B3-type materials composed from the V and VI group elements is presented.

The Effect of AOT and Octanoic Acid on the Formation of Stable Water-in-diesel Microemulsion

NASA Astrophysics Data System (ADS)

Zhang, Yue; Misran, Misni Bin; Wang, Zhicheng; Zhang, Yu

2017-05-01

Sodium bis(2-ethylhexyl)sulfosuccinate (AOT) and octanoic acid (OA) were used as surfactants to prepare water-in-diesel microemulsion. The effect of mixed surfactants ratio on the phase behavior of water-in-diesel microemulsion was investigated. The R0-T plot phase diagrams for the diesel/AOT and OA/water system with different surfactant ratios were constructed at 30-80 °C. The results indicate that the largest single phase region could be obtained when OA to AOT molar ratio was 1. The temperature had a significant influence on phase transformation behavior. The single phase separated into two immiscible phases with the increase of temperature when R0 value was above 10. Compared with applying AOT alone, mixing AOT with appropriate amount of OA is benefit to form smaller nanosized W/O droplets. The determination of particle size was performed to verify the phase transformation behavior, and the results were consistent with the phase diagrams.

Reverse Shape Memory Effect Related to α → γ Transformation in a Fe-Mn-Al-Ni Shape Memory Alloy

NASA Astrophysics Data System (ADS)

Peng, Huabei; Huang, Pan; Zhou, Tiannan; Wang, Shanling; Wen, Yuhua

2017-05-01

In this study, we investigated the shape memory behavior and phase transformations of solution-treated Fe43.61Mn34.74Al13.38Ni8.27 alloy between room temperature and 1173 K (900 °C). This alloy exhibits the reverse shape memory effect resulting from the phase transformation of α (bcc) → γ (fcc) between 673 K and 1073 K (400 °C and 800 °C) in addition to the shape memory effect resulting from the martensitic reverse transformation of γ' (fcc) → α (bcc) below 673 K (400 °C). There is a high density of hairpin-shaped dislocations in the α phase undergoing the martensitic reverse transformation of γ' → α. The lath γ phase, which preferentially nucleates and grows in the reversed α phase, has the same crystal orientation with the reverse-transformed γ' martensite. However, the vermiculate γ phase, which is precipitated in the α phase between lath γ phase, has different crystal orientations. The lath γ phase is beneficial to attaining better reverse shape memory effect than the vermiculate γ phase.

THE ROLE OF METASTABLE STATES IN POLYMER PHASE TRANSITIONS: Concepts, Principles, and Experimental Observations

NASA Astrophysics Data System (ADS)

Cheng, Stephen Z. D.; Keller, Andrew

1998-08-01

Polymer phases can be described in the same way as phases in other condensed matter using a number density operator and its correlation functions. This description requires the understanding of symmetry operations and order at different atomic and molecular levels. Statistical mechanics provides a link between the microscopic description of the structure and motion and the macroscopic thermodynamic properties. Within the limits of the laws of thermodynamics, polymers exhibit a rich variety of phase transition behaviors. By definition, a first-order phase transition describes a transformation that involves a sudden change of thermodynamic properties at its transition temperature, whereas higher-order phase transitions are classified as critical phenomena. Of special interest is the role of metastability in phase and phase transition behaviors. Although a metastable state possesses a local free energy minimum, it is not at the global equilibrium. Furthermore, metastable states can also be associated with phase sizes. Metastable behavior is also observed in phase transformations that are impeded by kinetic limitations along the pathway to thermodynamic equilibrium. This is illustrated in structural and morphological investigations of crystallization and mesophase transitions, liquid-liquid phase separation, vitrification, and gel formation, as well as combinations of transformation processes. In these cases, the metastable state often becomes the dominant state for the entire system and is observed over a range of time and size scales. This review describes the general principles of metastability in polymer phases and phase transitions and provides illustrations from current experimental works in selected areas.

Effect of thermal cycling on the R-phase and martensitic transformations in a Ti-rich NiTi alloy

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

Pelosin, V.; Riviere, A.

1998-04-01

The effect of thermal cycling on transformation temperature was studied on a Ti-rich NiTi alloy. The study was carried out by determining the electrical resistance, the internal friction, and the elastic modulus vs temperature. This study shows that the martensite microstructure is modified by the successive cycling transformation. In addition, the authors established that both the martensite internal friction and the transition peak are sensitive to the transient effect (the vibration frequency lies around 300 Hz). But the major results concern the behavior associated with the R phase occurrence and its evolution. They have stated that the premartensitic phase becomesmore » stable following the diminishment of the beginning of the martensite formation (M{sub s}). Interrupted cooling has also shown that, contrary to the martensite, the R phase exhibits no hysteretic behavior.« less

Thermomechanical Characterization and Modeling of Superelastic Shape Memory Alloy Beams and Frames

NASA Astrophysics Data System (ADS)

Watkins, Ryan

Of existing applications, the majority of shape memory alloy (SMA) devices consist of beam (orthodontic wire, eye glasses frames, catheter guide wires) and framed structures (cardiovascular stents, vena cava filters). Although uniaxial tension data is often sufficient to model basic beam behavior (which has been the main focus of the research community), the tension-compression asymmetry and complex phase transformation behavior of SMAs suggests more information is necessary to properly model higher complexity states of loading. In this work, SMA beams are experimentally characterized under general loading conditions (including tension, compression, pure bending, and buckling); furthermore, a model is developed with respect to general beam deformation based on the relevant phenomena observed in the experimental characterization. Stress induced phase transformation within superelastic SMA beams is shown to depend on not only the loading mode, but also kinematic constraints imposed by beam geometry (such as beam cross-section and length). In the cases of tension and pure bending, the structural behavior is unstable and corresponds to phase transformation localization and propagation. This unstable behavior is the result of a local level up--down--up stress/strain response in tension, which is measured here using a novel composite-based experimental technique. In addition to unstable phase transformation, intriguing post-buckling straightening is observed in short SMA columns during monotonic loading (termed unbuckling here). Based on this phenomenological understanding of SMA beam behavior, a trilinear based material law is developed in the context of a Shanley column model and is found to capture many of the relevant features of column buckling, including the experimentally observed unbuckling behavior. Due to the success of this model, it is generalized within the context of beam theory and, in conjunction with Bloch wave stability analysis, is used to model and design SMA honeycombs.

Micromechanics of plastic deformation and phase transformation in a three-phase TRIP-assisted advanced high strength steel: Experiments and modeling

NASA Astrophysics Data System (ADS)

Srivastava, Ankit; Ghassemi-Armaki, Hassan; Sung, Hyokyung; Chen, Peng; Kumar, Sharvan; Bower, Allan F.

2015-05-01

The micromechanics of plastic deformation and phase transformation in a three-phase advanced high strength steel are analyzed both experimentally and by microstructure-based simulations. The steel examined is a three-phase (ferrite, martensite and retained austenite) quenched and partitioned sheet steel with a tensile strength of 980 MPa. The macroscopic flow behavior and the volume fraction of martensite resulting from the austenite-martensite transformation during deformation were measured. In addition, micropillar compression specimens were extracted from the individual ferrite grains and the martensite particles, and using a flat-punch nanoindenter, stress-strain curves were obtained. Finite element simulations idealize the microstructure as a composite that contains ferrite, martensite and retained austenite. All three phases are discretely modeled using appropriate crystal plasticity based constitutive relations. Material parameters for ferrite and martensite are determined by fitting numerical predictions to the micropillar data. The constitutive relation for retained austenite takes into account contributions to the strain rate from the austenite-martensite transformation, as well as slip in both the untransformed austenite and product martensite. Parameters for the retained austenite are then determined by fitting the predicted flow stress and transformed austenite volume fraction in a 3D microstructure to experimental measurements. Simulations are used to probe the role of the retained austenite in controlling the strain hardening behavior as well as internal stress and strain distributions in the microstructure.

Experiment and Modeling of Simultaneous Creep, Plasticity and Transformation of High Temperature Shape Memory Alloys During Cyclic Actuation

NASA Technical Reports Server (NTRS)

Kumar, Parikshith K.; Desai, Uri; Chatzigeorgiou, George; Lagoudas, Dimitris C.; Monroe, James; Karaman, Ibrahim; Noebe, Ron; Bigelow, Glen

2010-01-01

The present work is focused on studying the cycling actuation behavior of HTSMAs undergoing simultaneous creep and transformation. For the thermomechanical testing, a high temperature test setup was assembled on a MTS frame with the capability to test up to temperatures of 600 C. Constant stress thermal cycling tests were conducted to establish the actuation characteristics and the phase diagram for the chosen HTSMA. Additionally, creep tests were conducted at constant stress levels at different test temperatures to characterize the creep behavior of the alloy over the operational range. A thermodynamic constitutive model is developed and extended to take into account a) the effect of multiple thermal cycling on the generation of plastic strains due to transformation (TRIP strains) and b) both primary and secondary creep effects. The model calibration is based on the test results. The creep tests and the uniaxial tests are used to identify the viscoplastic behavior of the material. The parameters for the SMA properties, regarding the transformation and transformation induced plastic strain evolutions, are obtained from the material phase diagram and the thermomechanical tests. The model is validated by predicting the material behavior at different thermomechanical test conditions.

Experimental dynamic metamorphism of mineral single crystals

USGS Publications Warehouse

Kirby, S.H.; Stern, L.A.

1993-01-01

This paper is a review of some of the rich and varied interactions between non-hydrostatic stress and phase transformations or mineral reactions, drawn mainly from results of experiments done on mineral single crystals in our laboratory or our co-authors. The state of stress and inelastic deformation can enter explicitly into the equilibrium phase relations and kinetics of mineral reactions. Alternatively, phase transformations can have prominent effects on theology and on the nature of inelastic deformation. Our examples represent five types of structural phase changes, each of which is distinguished by particular mechanical effects. In increasing structural complexity, these include: (1) displacive phase transformations involving no bond-breaking, which may produce anomalous brittle behavior. A primary example is the a-?? quartz transition which shows anomalously low fracture strength and tertiary creep behavior near the transition temperature; (2) martensitic-like transformations involving transformation strains dominated by shear deformation. Examples include the orthoenstatite ??? clinoenstatite and w u ??rtzite ??? sphalerite transformations; (3) coherent exsolution or precipitation of a mineral solute from a supersaturated solid-solution, with anisotropy of precipitation and creep rates produced under nonhydrostatic stress. Examples include exsolution of corundum from MgO ?? nAl2O3 spinels and Ca-clinopyroxene from orthopyroxene; (4) order-disorder transformations that are believed to cause anomalous plastic yield strengthening, such as MgO - nAl2O3 spinels; and (5) near-surface devolatilization of hydrous silicate single-crystals that produces a fundamental brittleness thought to be connected with dehydration at microcracks at temperatures well below nominal macroscopic dehydration temperatures. As none of these interactions between single-crystal phase transformations and non-hydrostatic stress is understood in detail, this paper serves as a challenge to field structural geologists to test whether interactions of these types occur in nature, and to theoreticians to reach a deeper understanding of the complex relations between phase transformations, the local state of stress and associated deformation and deformation rates. ?? 1993.

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

Tracy, Cameron L.; Park, Sulgiye; Rittman, Dylan R.

High pressure x-ray diffraction measurements reveal that the face-centered cubic (fcc) high-entropy alloy CrMnFeCoNi transforms martensitically to a hexagonal close-packed (hcp) phase at ~14 GPa. We attribute this to suppression of the local magnetic moments, destabilizing the fcc phase. Similar to fcc-to-hcp transformations in Al and the noble gases, this transformation is sluggish, occurring over a range of >40 GPa. But, the behavior of CrMnFeCoNi is unique in that the hcp phase is retained following decompression to ambient pressure, yielding metastable fcc-hcp mixtures.

In situ phase transformation of Laves phase from Chi-phase in Mo-containing Fe–Cr–Ni alloys

DOE PAGES

Tan, L.; Yang, Y.

2015-11-01

For an in situ phase transformation of the Chi (χ) phase to the Laves phase we observed in a Fe–Cr–Ni–Mo model alloy. The morphology, composition, and crystal structure of the χ and Laves phases, and their orientation relationship with the matrix austenite phase were investigated. The resulted Laves phase has larger lattice mismatch with the matrix phase than the χ phase, leading to the increase of local strain fields and the formation of dislocations. Moreover, this finding is helpful to understand the precipitation behavior of the intermetallic phases in the Mo-containing austenitic stainless steels.

In Situ Neutron Diffraction Analyzing Stress-Induced Phase Transformation and Martensite Elasticity in [001]-Oriented Co49Ni21Ga30 Shape Memory Alloy Single Crystals

NASA Astrophysics Data System (ADS)

Reul, A.; Lauhoff, C.; Krooß, P.; Gutmann, M. J.; Kadletz, P. M.; Chumlyakov, Y. I.; Niendorf, T.; Schmahl, W. W.

2018-02-01

Recent studies demonstrated excellent pseudoelastic behavior and cyclic stability under compressive loads in [001]-oriented Co-Ni-Ga high-temperature shape memory alloys (HT-SMAs). A narrow stress hysteresis was related to suppression of detwinning at RT and low defect formation during phase transformation due to the absence of a favorable slip system. Eventually, this behavior makes Co-Ni-Ga HT-SMAs promising candidates for several industrial applications. However, deformation behavior of Co-Ni-Ga has only been studied in the range of theoretical transformation strain in depth so far. Thus, the current study focuses not only on the activity of elementary deformation mechanisms in the pseudoelastic regime up to maximum theoretical transformation strains but far beyond. It is shown that the martensite phase is able to withstand about 5% elastic strain, which significantly increases the overall deformation capability of this alloy system. In situ neutron diffraction experiments were carried out using a newly installed testing setup on Co-Ni-Ga single crystals in order to reveal the nature of the stress-strain response seen in the deformation curves up to 10% macroscopic strain.

Thermal Behavior of an HSLA Steel and the Impact in Phase Transformation: Submerged Arc Welding (SAW) Process Approach to Pipelines

NASA Astrophysics Data System (ADS)

Costa, P. S.; Reyes-Valdés, F. A.; Saldaña-Garcés, R.; Delgado, E. R.; Salinas-Rodríguez, A.

Heat input during welding metal fusion generates different transformations, such as grain growth, hydrogen cracking, and the formation of brittle structures, generally associated with the heat-affected zone (HAZ). For this reason, it is very important to know the behavior of this area before welding. This paper presents a study of the thermal behavior and its effect on phase transformations in the HAZ, depending on cooling rates (0.1-200 °C/s) to obtain continuous cooling transformation (CCT) curves for an high-strength low-alloy (HSLA) steel. In order to determine the formed phases, optical microscopy and Vickers microhardness measurement were used. The experimental CCT curve was obtained from an HSLA steel, and the results showed that, with the used cooling conditions, the steel did not provide formation of brittle structures. Therefore, it is unlikely that welds made by submerged arc welding (SAW) may lead to hydrogen embrittlement in the HAZ, which is one of the biggest problems of cracking in gas conduction pipelines. In addition, with these results, it will be possible to control the microstructure to optimize the pipe fabrication with SAW process in industrial plants.

Pressure, temperature, and electric field dependence of phase transformations in niobium modified 95/5 lead zirconate titanate

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

Dong, Wen D.; Carlos Valadez, J.; Gallagher, John A.

2015-06-28

Ceramic niobium modified 95/5 lead zirconate-lead titanate (PZT) undergoes a pressure induced ferroelectric to antiferroelectric phase transformation accompanied by an elimination of polarization and a volume reduction. Electric field and temperature drive the reverse transformation from the antiferroelectric to ferroelectric phase. The phase transformation was monitored under pressure, temperature, and electric field loading. Pressures and temperatures were varied in discrete steps from 0 MPa to 500 MPa and 25 °C to 125 °C, respectively. Cyclic bipolar electric fields were applied with peak amplitudes of up to 6 MV m{sup −1} at each pressure and temperature combination. The resulting electric displacement–electric field hysteresis loops weremore » open “D” shaped at low pressure, characteristic of soft ferroelectric PZT. Just below the phase transformation pressure, the hysteresis loops took on an “S” shape, which split into a double hysteresis loop just above the phase transformation pressure. Far above the phase transformation pressure, when the applied electric field is insufficient to drive an antiferroelectric to ferroelectric phase transformation, the hysteresis loops collapse to linear dielectric behavior. Phase stability maps were generated from the experimental data at each of the temperature steps and used to form a three dimensional pressure–temperature–electric field phase diagram.« less

About the Transformation Phase Zones of Shape Memory Alloys' Fracture Tests on Single Edge-Cracked Specimen

NASA Astrophysics Data System (ADS)

Taillebot, V.; Lexcellent, C.; Vacher, P.

2012-03-01

The thermomechanical behavior of shape memory alloys is now well mastered. However, a hindrance to their sustainable use is the lack of knowledge of their fracture behavior. With the aim of filling this partial gap, fracture tests on edge-cracked specimens in NiTi have been made. Particular attention was paid to determine the phase transformation zones in the vicinity of the crack tip. In one hand, experimental kinematic fields are observed using digital image correlation showing strain localization around the crack tip. In the other hand, an analytical prediction, based on a modified equivalent stress criterion and taking into account the asymmetric behavior of shape memory alloys in tension-compression, provides shape and size of transformation outset zones. Experimental results are relatively in agreement with our analytical modeling.

500 keV Ar2+ ion irradiation induced anatase to brookite phase transformation and ferromagnetism at room temperature in TiO2 thin films

NASA Astrophysics Data System (ADS)

Bharati, B.; Mishra, N. C.; Kanjilal, D.; Rath, Chandana

2018-01-01

In our earlier report, where we have demonstrated ferromagnetic behavior at room temperature (RT) in TiO2 thin films deposited through electron beam evaporation technique followed by annealing either in Ar or O2 atmosphere [Mohanty et al., Journal of Magnetism and Magnetic Materials 355 (2014) 240-245], here we have studied the evolution of structure and magnetic properties after irradiating the TiO2 thin films with 500 keV Ar2+ ions. The pristine film while exhibits anatase phase, the films become amorphous after irradiating at fluence in the range 1 × 1014 to 1 × 1016 ions/cm2. Increasing the fluence up to 5 × 1016 ions/cm2, amorphous to crystalline phase transformation occurs and the structure becomes brookite. Although anatase to rutile phase transformation is usually reported in literatures, anatase to brookite phase transformation is an unusual feature which we have reported here for the first time. Such anatase to brookite phase transformation is accompanied with grain growth without showing any change in film thickness evidenced from Rutherford's Back Scattering (RBS) measurement. From scanning probe micrographs (SPM), roughness is found to be more in amorphous films than in the crystalline ones. Anatase to brookite phase transformation could be realized by considering the importance of intermediate amorphous phase. Because due to amorphous phase, heat deposited by energetic ions are localized as dissipation of heat is less and as a result, the localized region crystallizes in brookite phase followed by grain growth as observed in highest fluence. Further, we have demonstrated ferromagnetic behavior at RT in irradiated films similar to pristine one, irrespective of their phase and crystallinity. Origin for room temperature ferromagnetism (RTFM) is attributed to the presence of oxygen vacancies which is confirmed by carrying out XPS measurement.

High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi

DOE PAGES

Tracy, Cameron L.; Park, Sulgiye; Rittman, Dylan R.; ...

2017-05-25

High pressure x-ray diffraction measurements reveal that the face-centered cubic (fcc) high-entropy alloy CrMnFeCoNi transforms martensitically to a hexagonal close-packed (hcp) phase at ~14 GPa. We attribute this to suppression of the local magnetic moments, destabilizing the fcc phase. Similar to fcc-to-hcp transformations in Al and the noble gases, this transformation is sluggish, occurring over a range of >40 GPa. But, the behavior of CrMnFeCoNi is unique in that the hcp phase is retained following decompression to ambient pressure, yielding metastable fcc-hcp mixtures.

Phase transformations in Ln2O3 materials irradiated with swift heavy ions

NASA Astrophysics Data System (ADS)

Tracy, Cameron L.; Lang, Maik; Zhang, Fuxiang; Trautmann, Christina; Ewing, Rodney C.

2015-11-01

Phase transformations induced in the cubic C-type lanthanide sesquioxides, Ln2O3 (Ln = Sm, Gd, Ho, Tm, and Lu), by dense electronic excitation are investigated. The structural modifications resulting from exposure to beams of 185 MeV Xe and 2246 MeV Au ions are characterized using synchrotron x-ray diffraction and Raman spectroscopy. The formation of a B-type polymorph, an X-type nonequilibrium phase, and an amorphous phase are observed. The specific phase formed and the transformation rate show dependence on the material composition, as well as the ion beam mass and energy. Atomistic mechanisms for these transformations are determined, indicating that formation of the B-type phase results from the production of anti-Frenkel defects and the aggregation of anion vacancies into planar clusters, whereas formation of the X-type and amorphous phases requires extensive displacement of both anions and cations. The observed variations in phase behavior with changing lanthanide ionic radius and deposited electronic energy density are related to the energetics of these transformation mechanisms.

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

Hou, Huilong; Hamilton, Reginald F., E-mail: rfhamilton@psu.edu; Horn, Mark W.

NiTi shape memory alloy (SMA) thin films were fabricated using biased target ion beam deposition (BTIBD), which is a new technique for fabricating submicrometer-thick SMA thin films, and the capacity to exhibit shape memory behavior was investigated. The thermally induced shape memory effect (SME) was studied using the wafer curvature method to report the stress-temperature response. The films exhibited the SME in a temperature range above room temperature and a narrow thermal hysteresis with respect to previous reports. To confirm the underlying phase transformation, in situ x-ray diffraction was carried out in the corresponding phase transformation temperature range. The B2more » to R-phase martensitic transformation occurs, and the R-phase transformation is stable with respect to the expected conversion to the B19′ martensite phase. The narrow hysteresis and stable R-phase are rationalized in terms of the unique properties of the BTIBD technique.« less

Determination of the continuous cooling transformation diagram of a high strength low alloyed steel

NASA Astrophysics Data System (ADS)

Kang, Hun Chul; Park, Bong June; Jang, Ji Hun; Jang, Kwang Soon; Lee, Kyung Jong

2016-11-01

The continuous cooling transformation diagram of a high strength low alloyed steel was determined by a dilatometer and microscopic analysis (OM, SEM) as well as thermodynamic analysis. As expected, Widmanstätten ferrite, bainite and martensite coexisted for most cooling rates, which made it difficult to determine the transformation kinetics of individual phases. However, peaks were clearly observed in the dilatometric {d( {LVDT} )}/{dT} curves. By overlapping the {d( {LVDT} )}/{dT} curves, which were determined using various cooling rates, peaks were separated and the peak rate temperatures, as well as the temperature at the start of transformation (5%) and the end of transformation (95%) of an individual phase, were determined. A SEM analysis was also conducted to identify which phase existed and to quantify the volume fraction of each phase. It was confirmed that the additional {d( {LVDT} )}/{dT} curve analysis described the transformation behavior more precisely than the conventional continuous cooling transformation diagram, as determined by the volume measured from the microstructure analysis.

Morphological Evolution and Weak Interface Development within CVD-Zirconia Coating Deposited on Hi-Nicalon Fiber

NASA Technical Reports Server (NTRS)

Li, Hao; Lee, Jinil; Libera, Matthew R.; Lee, Woo Y.; Kebbede, Anteneh; Lance, Michael J.; Wang, Hongyu; Morscher, Gregory N.; Gray, Hugh R. (Technical Monitor)

2002-01-01

The phase contents and morphology of a ZrO2 fiber coating deposited at 1050 C on Hi-Nicalon(Tm) by chemical vapor deposition were examined as a function of deposition time from 5 to 120 min. The morphological evolution in the ZrO2 coating was correlated to the development of delamination within the ZrO2 coating. The delamination appears to occur as a result of: (1) continuous formation of tetragonal ZrO2 nuclei on the deposition surface; (2) martensitic transformation of the tetragonal phase to a monoclinic phase upon reaching a critical grain size; and (3) development of significant compressive hoop stresses due to the volume dilation associated with the transformation. Our observations suggest that it will be of critical importance to further understand and eventually control the nucleation and grain growth behavior of CVD ZrO2 and its phase transformation behavior for its potential applications for composites.

Microstructure and Shape Memory Behavior of Ti-Nb Shape Memory Alloy Thin Film

NASA Astrophysics Data System (ADS)

Meng, X. L.; Sun, B.; Sun, J. Y.; Gao, Z. Y.; Cai, W.; Zhao, L. C.

2017-09-01

Ti-Nb shape memory alloy (SMA) thin film is a promising candidate applied as microactuator in biomedical field. In this study, the microstructure and shape memory behavior of Ti-Nb SMA thin films in different heat treatment conditions have been investigated. Fine ω phases embedded in the β phase matrix suppress the martensitic transformation of the films. As a result, the as-deposited and most of the annealed films consist of the β and α″ dual phases. The annealed Ti-Nb thin film shows excellent superelasticity effect when deformed above the reverse martensitic transformation temperature, that is 3.5% total recovery strain can be obtained when 4% pre-strain is loaded.

Properties and Potential of Two (ni,pt)ti Alloys for Use as High-temperature Actuator Materials

NASA Technical Reports Server (NTRS)

Noebe, Ronald; Gaydosh, Darrell; Padula, Santo, II.; Garg, Anita; Biles, Tiffany; Nathal, Michael

2005-01-01

The microstructure, transformation temperatures, basic tensile properties, shape memory behavior, and work output for two (Ni,Ti)Pt high-temperature shape memory alloys have been characterized. One was a Ni30Pt20Ti50 alloy (referred to as 20Pt) with transformation temperatures above 230 C and the other was a Ni20Pt30Ti50 alloy (30Pt) with transformation temperatures about 530 C. Both materials displayed shape memory behavior and were capable of 100% (no-load) strain recovery for strain levels up to their fracture limit (3-4%) when deformed at room temperature. For the 20Pt alloy, the tensile strength, modulus, and ductility dramatically increased when the material was tested just about the austenite finish (A(sub f)) temperature. For the 30Pt alloy, a similar change in yield behavior at temperatures above the A(sub f) was not observed. In this case the strength of the austentite phase was at best comparable and generally much weaker than the martensite phase. A ductility minimum was also observed just below the A(sub s) temperature in this alloy. As a result of these differences in tensile behavior, the two alloys performed completely different when thermally cycled under constant load. The 20Pt alloy behaved similar to conventional binary NiTi alloys with work output due to the martensite-to-austenite transformation initially increasing with applied stress. The maximum work output measured in the 20Pt alloy was nearly 9 J/cu cm and was limited by the tensile ductility of the material. In contrast, the martensite-to-austenite transformation in the 30Pt alloy was not capable of performing work against any bias load. The reason for this behavior was traced back to its basic mechanical properties, where the yield strength of the austenite phase was similar to or lower than that of the martensite phase, depending on temperature. Hence, the recovery or transformation strain for the 30Pt alloy under load was essentially zero, resulting in zero work output.

Intergranular fracture in UO{sub 2}: derivation of traction-separation law from atomistic simulations

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

Zhang, Yongfeng; Millett, P.C.; Tonks, M.R.

2013-07-01

In this study, the intergranular fracture behavior of UO{sub 2} was studied by molecular dynamics simulations using the Basak potential. In addition, the constitutive traction-separation law was derived from atomistic data using the cohesive-zone model. In the simulations a bicrystal model with the (100) symmetric tilt Σ5 grain boundaries was utilized. Uniaxial tension along the grain boundary normal was applied to simulate Mode-I fracture. The fracture was observed to propagate along the grain boundary by micro-pore nucleation and coalescence, giving an overall intergranular fracture behavior. Phase transformations from the Fluorite to the Rutile and Scrutinyite phases were identified at themore » propagating crack tips. These new phases are metastable and they transformed back to the Fluorite phase at the wake of crack tips as the local stress concentration was relieved by complete cracking. Such transient behavior observed at atomistic scale was found to substantially increase the energy release rate for fracture. Insertion of Xe gas into the initial notch showed minor effect on the overall fracture behavior. (authors)« less

Intergranular fracture in UO2: derivation of traction-separation law from atomistic simulations

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

Yongfeng Zhang; Paul C Millett; Michael R Tonks

2013-10-01

In this study, the intergranular fracture behavior of UO2 was studied by molecular dynamics simulations using the Basak potential. In addition, the constitutive traction-separation law was derived from atomistic data using the cohesive-zone model. In the simulations a bicrystal model with the (100) symmetric tilt E5 grain boundaries was utilized. Uniaxial tension along the grain boundary normal was applied to simulate Mode-I fracture. The fracture was observed to propagate along the grain boundary by micro-pore nucleation and coalescence, giving an overall intergranular fracture behavior. Phase transformations from the Fluorite to the Rutile and Scrutinyite phases were identified at the propagatingmore » crack tips. These new phases are metastable and they transformed back to the Fluorite phase at the wake of crack tips as the local stress concentration was relieved by complete cracking. Such transient behavior observed at atomistic scale was found to substantially increase the energy release rate for fracture. Insertion of Xe gas into the initial notch showed minor effect on the overall fracture behavior.« less

Metastable phase transformation and hcp-ω transformation pathways in Ti and Zr under high hydrostatic pressures

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

Gao, Lei; Ding, Xiangdong, E-mail: dingxd@mail.xjtu.edu.cn, E-mail: ekhard@esc.cam.ac.uk; Sun, Jun

2016-07-18

The energy landscape of Zr at high hydrostatic pressure suggests that its transformation behavior is strongly pressure dependent. This is in contrast to the known transition mechanism in Ti, which is essentially independent of hydrostatic pressure. Generalized solid-state nudged elastic band calculations at constant pressure shows that α-Zr transforms like Ti only at the lowest pressure inside the stability field of ω-phase. Different pathways apply at higher pressures where the energy landscape contains several high barriers so that metastable states are expected, including the appearance of a transient bcc phase at ca. 23 GPa. The global driving force for the hcp-ωmore » transition increases strongly with increasing pressure and reaches 23.7 meV/atom at 23 GPa. Much of this energy relates to the excess volume of the hcp phase compared with its ω phase.« less

Chaotic oscillations and noise transformations in a simple dissipative system with delayed feedback

NASA Astrophysics Data System (ADS)

Zverev, V. V.; Rubinstein, B. Ya.

1991-04-01

We analyze the statistical behavior of signals in nonlinear circuits with delayed feedback in the presence of external Markovian noise. For the special class of circuits with intense phase mixing we develop an approach for the computation of the probability distributions and multitime correlation functions based on the random phase approximation. Both Gaussian and Kubo-Andersen models of external noise statistics are analyzed and the existence of the stationary (asymptotic) random process in the long-time limit is shown. We demonstrate that a nonlinear system with chaotic behavior becomes a noise amplifier with specific statistical transformation properties.

A study to evaluate non-uniform phase maps in shape memory alloys using finite element method

NASA Astrophysics Data System (ADS)

Motte, Naren

The unique thermo-mechanical behavior of Shape Memory Alloys (SMAs), such as their ability to recover the original shape upon heating or being able to tolerate large deformations without undergoing plastic transformations, makes them a good choice for actuators. This work studies their application in the aerospace and defense industries where SMA components can serve as release mechanisms for gates of enclosures that have to be deployed remotely. This work provides a novel approach in evaluating the stress and heat induced change of phase in a SMA, in terms of the transformation strain tensor. In particular, the FEA tool ANSYS has been used to perform a 2-D analysis of a Cu-Al-Zn-Mn SMA specimen undergoing a nontraditional loading path in two steps with stress and heating loads. In the first load step, tensile displacement is applied, followed by the second load step in which the specimen is heated while the end displacements are held constant. A number of geometric configurations are examined under the two step loading path. Strain results are used to calculate transformation strain which provides a quantitative measure of phase at a material point; when transformation strain is zero, the material point is either twinned martensite, or austenite depending on the temperature. Transformation strain value of unity corresponds to detwinned martensite. A value between zero and one indicates mixed phase. In this study, through two step loading in conjunction with transformation strain calculations, a method for mapping transient non-uniform distribution of phases in an SMA is introduced. Ability to obtain drastically different phase distributions under same loading path by modifying the geometry is demonstrated. The failure behavior of SMAs can be designed such that the load level the crack initiates and the path it propagates can be customized.

Microstructure Evolution and Mechanical Behavior of a Hot-Rolled High-Manganese Dual-Phase Transformation-Induced Plasticity/Twinning-Induced Plasticity Steel

NASA Astrophysics Data System (ADS)

Fu, Liming; Shan, Mokun; Zhang, Daoda; Wang, Huanrong; Wang, Wei; Shan, Aidang

2017-05-01

The microstructures and deformation behavior were studied in a high-temperature annealed high-manganese dual-phase (28 vol pct δ-ferrite and 72 vol pct γ-austenite) transformation-induced plasticity/twinning-induced plasticity (TRIP/TWIP) steel. The results showed that the steel exhibits a special Lüders-like yielding phenomenon at room temperature (RT) and 348 K (75 °C), while it shows continuous yielding at 423 K, 573 K and 673 K (150 °C, 300 °C and 400 °C) deformation. A significant TRIP effect takes place during Lüders-like deformation at RT and 348 K (75 °C) temperatures. Semiquantitative analysis of the TRIP effect on the Lüders-like yield phenomenon proves that a softening effect of the strain energy consumption of strain-induced transformation is mainly responsible for this Lüders-like phenomenon. The TWIP mechanism dominates the 423 K (150 °C) deformation process, while the dislocation glide controls the plasticity at 573 K (300 °C) deformation. The delta-ferrite, as a hard phase in annealed dual-phase steel, greatly affects the mechanical stability of austenite due to the heterogeneous strain distribution between the two phases during deformation. A delta-ferrite-aided TRIP effect, i.e., martensite transformation induced by localized strain concentration of the hard delta-ferrite, is proposed to explain this kind of Lüders-like phenomenon. Moreover, the tensile curve at RT exhibits an upward curved behavior in the middle deformation stage, which is principally attributed to the deformation twinning of austenite retained after Lüders-like deformation. The combination of the TRIP effect during Lüders-like deformation and the subsequent TWIP effect greatly enhances the ductility in this annealed high-manganese dual-phase TRIP/TWIP steel.

Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles

NASA Astrophysics Data System (ADS)

Ko, Won-Seok; Grabowski, Blazej; Neugebauer, Jörg

2018-03-01

Martensitic transformations in nanoscaled shape-memory alloys exhibit characteristic features absent for the bulk counterparts. Detailed understanding is required for applications in micro- and nanoelectromechanical systems, and experimental limitations render atomistic simulation an important complementary approach. Using a recently developed, accurate potential we investigate the phase transformation in freestanding Ni-Ti shape-memory nanoparticles with molecular-dynamics simulations. The results confirm that the decrease in the transformation temperature with decreasing particle size is correlated with an overstabilization of the austenitic surface energy over the martensitic surface energy. However, a detailed atomistic analysis of the nucleation and growth behavior reveals an unexpected difference in the mechanisms determining the austenite finish and martensite start temperature. While the austenite finish temperature is directly affected by a contribution of the surface energy difference, the martensite start temperature is mostly affected by the transformation strain, contrary to general expectations. This insight not only explains the reduced transformation temperature but also the reduced thermal hysteresis in freestanding nanoparticles.

Influence of supercritical CO(2) pressurization on the phase behavior of mixed cholesteryl esters.

PubMed

Huang, Zhen; Feng, Mei; Su, Junfeng; Guo, Yuhua; Liu, Tie-Yan; Chiew, Yee C

2010-09-15

Evidences indicating the presence of phase transformations in the mixed cholesteryl benzoate (CBE) and cholesteryl butyrate (CBU) under the supercritical CO(2) pressurization, by means of differential scanning calorimetry (DSC) and X-ray diffraction (XRD), are presented in this work. These include (1) the DSC heating curve of pure CBU; (2) the DSC heating curves of CBU/CBE mixtures; (3) the XRD spectra of pure CBU; (4) the XRD spectra of CBU/CBE mixtures; (5) CBU and CBE are miscible in either solid phase or liquid phase over the whole composition range. As a result of the presence of these phase transformations induced by pressurization, it could be deduced that a solid solution of the CBU/CBE mixture might have formed at the interfaces under supercritical conditions, subsequently influencing their dissolving behaviors in supercritical CO(2). Copyright 2010 Elsevier B.V. All rights reserved.

Phase Transformation and Aging Behavior of Al0.5CoCrFeNiSi0.2 High-Entropy Alloy

NASA Astrophysics Data System (ADS)

Zhang, C.; Wu, G. F.; Dai, P. Q.

2015-05-01

An Al0.5CoCrFeNiSi0.2 high-entropy alloy was prepared by vacuum arc melting. The alloy was aged from 700 to 1100 °C. The effects of aging on the phase transformation and mechanical performances were explored. The as-cast alloy showed a dendritic (DR) microstructure. The DR region was an Fe,Cr-rich FCC phase, while the interdendritic (ID) region was a spinodal structure composed of Fe,Cr-rich BCC (A2) and Ni,Al-rich BCC (B2) phases. At aging temperatures between 700 and 900 °C, the Fe,Cr-rich BCC (A2) phase in the ID region transformed into σ and Fe,Cr-rich FCC phases. Meanwhile, some Ni,Al-rich FCC phase particles precipitated from the DR region. During aging at 1100 °C, the DR microstructure disappeared, and a microstructure composed of Fe,Cr-rich FCC and Ni,Al-rich BCC (B2) phases both possessing a lamellar shape was developed. The alloy exhibited evident hardening and lower tensile strain when the aging temperature was lower than 1000 °C, which was mainly attributed to the generation of the σ phase in the ID region. However, a contrasting behavior was observed when the aging temperature was higher than 1000 °C, which was attributed to the redissolution of the σ phase and the microstructure coarsening.

In-situ investigation of stress-induced martensitic transformation in Ti–Nb binary alloys with low Young's modulus [In-situ high-energy X-ray diffraction investigation on stress-induced martensitic transformation in Ti-Nb binary alloys

DOE PAGES

Chang, L. L.; Wang, Y. D.; Ren, Y.

2015-11-04

Microstructure evolution, mechanical behaviors of cold rolled Ti-Nb alloys with different Nb contents subjected to different heat treatments were investigated. Here, optical microstructure and phase compositions of Ti-Nb alloys were characterized using optical microscopy and X-ray diffractometre, while mechanical behaviors of Ti-Nb alloys were examined by using tension tests. Stress-induced martensitic transformation in a Ti-30. at%Nb binary alloy was in-situ explored by synchrotron-based high-energy X-ray diffraction (HE-XRD). The results obtained suggested that mechanical behavior of Ti-Nb alloys, especially Young's modulus was directly dependent on chemical compositions and heat treatment process. According to the results of HE-XRD, α"-V1 martensite generated priormore » to the formation of α"-V2 during loading and a partial reversible transformation from α"-V1 to β phase was detected while α"-V2 tranformed to β completely during unloading.« less

Effect of impurity on high pressure behavior of nano indium titanate

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

Chitnis, Abhishek, E-mail: abhishekchitnis87@gmail.com; Garg, Nandini; Mishra, A. K.

2015-06-24

Angle dispersive x-ray diffraction studies were carried out on a mixture of nano particles of indium titanate, indium oxide, and disordered TiO{sub 2} upto pressures of ∼ 45 GPa. Our studies show that indium titanate undergoes a partial decomposition to its constituent high pressure oxides. However, concomitantly a very small fraction of indium titanate transforms to a denser phase at ∼ 27.5 GPa. This transformation to new phase was found to be irreversible. At this pressure even cubic In{sub 2}O{sub 3} transformed to the In{sub 2}O{sub 3} (II) (iso-structural to Rh{sub 2}O{sub 3} (II)) phase, without any signature of themore » intermediate corundum phase. The high pressure In{sub 2}O{sub 3} (II) phase transforms to the corundum structure on release of pressure. These studies indicate that the presence of a large fraction of seed impurities could have facilitated the decomposition of indium titanate into its constituent oxides at the cost of its incomplete transformation to the high pressure denser phase.« less

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

Wu, Zeen; Hu, Rui; Zhang, Tiebang, E-mail: tiebang

The microstructure and solidification behavior of high Nb containing TiAl alloys with the composition of Ti-46Al-8Nb-xC (x = 0.1, 0.7, 1.4, 2.5 at.%) prepared by arc-melting method have been investigated in this work. The results give evidence that the addition of carbon changes the solidification behavior from solidification via the β phase to the peritectic solidification. And carbon in solid solution enriches in the α{sub 2} phase and increases the microhardness. As the carbon content increases to 1.4 at.%, plate-shape morphology carbides Ti{sub 2}AlC (H phase) precipitate from the TiAl matrix which leads to the refinement microstructure. By aging atmore » 1173 K for 24 h after quenching treatment, fine needle-like and granular shape Ti{sub 3}AlC (P phase) carbides are observed in the matrix of Ti-46Al-8Nb-2.5C alloy, which distribute along the lamellar structure or around the plate-shape Ti{sub 2}AlC. Transmission electron microscope observation shows that the Ti{sub 3}AlC carbides precipitate at dislocations. The phase transformation in-situ observations indicate that the Ti{sub 2}AlC carbides partly precipitate during the solid state phase transformation process. - Highlights: •Carbon changes the solidification behavior from β phase to peritectic solidification. •Dislocations in solution treated γ phase act as nucleation sites of Ti{sub 3}AlC precipitations. •Ti{sub 3}AlC precipitates as fine needle-like or granular shape in the solution treated matrix. •Ti{sub 2}AlC carbides precipitate during the solid state phase transformation process.« less

On a phase field approach for martensitic transformations in a crystal plastic material at a loaded surface

NASA Astrophysics Data System (ADS)

Schmitt, Regina; Kuhn, Charlotte; Müller, Ralf

2017-07-01

A continuum phase field model for martensitic transformations is introduced, including crystal plasticity with different slip systems for the different phases. In a 2D setting, the transformation-induced eigenstrain is taken into account for two martensitic orientation variants. With aid of the model, the phase transition and its dependence on the volume change, crystal plastic material behavior, and the inheritance of plastic deformations from austenite to martensite are studied in detail. The numerical setup is motivated by the process of cryogenic turning. The resulting microstructure qualitatively coincides with an experimentally obtained martensite structure. For the numerical calculations, finite elements together with global and local implicit time integration scheme are employed.

Anisotropic Negative Thermal Expansion Behavior of the As-Fabricated Ti-Rich and Equiatomic Ti-Ni Alloys Induced by Preferential Grain Orientation

NASA Astrophysics Data System (ADS)

Zhao, Zhong-Xun; Ma, Xiao; Cao, Shan-Shan; Ke, Chang-Bo; Zhang, Xin-Ping

2017-12-01

The present study focuses on the anisotropic negative thermal expansion (NTE) behaviors of Ti-rich (Ti54Ni46) and equiatomic Ti-Ni (Ti50Ni50) alloys fabricated by vacuum arc melting and without subsequent plastic deformation. Both alloys exhibit NTE responses in vertical and horizontal directions, and the total strains and CTEs of the NTE stage along the two mutually perpendicular measuring directions are obviously different, indicating obvious anisotropic NTE behavior of the alloys. Besides, the numerical differences between the starting temperature of NTE and austenitic transformation and between the finishing temperature of NTE and austenitic transformation are very small, which indicates that an apparent relationship exists between the NTE behavior and the phase transformation. The microstructure in the vertical cross sections shows obviously preferential orientation characteristics: Ti2Ni phases of both alloys grow along the vertical direction, and B19' martensite of Ti50Ni50 alloy has distinct preferential orientation, which results from a large temperature gradient between the top and the bottom of the button ingots during solidification. The microstructure with preferential orientation induces the anisotropic NTE behavior of the samples.

Anisotropic Negative Thermal Expansion Behavior of the As-Fabricated Ti-Rich and Equiatomic Ti-Ni Alloys Induced by Preferential Grain Orientation

NASA Astrophysics Data System (ADS)

Zhao, Zhong-Xun; Ma, Xiao; Cao, Shan-Shan; Ke, Chang-Bo; Zhang, Xin-Ping

2018-03-01

The present study focuses on the anisotropic negative thermal expansion (NTE) behaviors of Ti-rich (Ti54Ni46) and equiatomic Ti-Ni (Ti50Ni50) alloys fabricated by vacuum arc melting and without subsequent plastic deformation. Both alloys exhibit NTE responses in vertical and horizontal directions, and the total strains and CTEs of the NTE stage along the two mutually perpendicular measuring directions are obviously different, indicating obvious anisotropic NTE behavior of the alloys. Besides, the numerical differences between the starting temperature of NTE and austenitic transformation and between the finishing temperature of NTE and austenitic transformation are very small, which indicates that an apparent relationship exists between the NTE behavior and the phase transformation. The microstructure in the vertical cross sections shows obviously preferential orientation characteristics: Ti2Ni phases of both alloys grow along the vertical direction, and B19' martensite of Ti50Ni50 alloy has distinct preferential orientation, which results from a large temperature gradient between the top and the bottom of the button ingots during solidification. The microstructure with preferential orientation induces the anisotropic NTE behavior of the samples.

Development and Characterization of Embedded Sensory Particles Using Multi-Scale 3D Digital Image Correlation

NASA Technical Reports Server (NTRS)

Cornell, Stephen R.; Leser, William P.; Hochhalter, Jacob D.; Newman, John A.; Hartl, Darren J.

2014-01-01

A method for detecting fatigue cracks has been explored at NASA Langley Research Center. Microscopic NiTi shape memory alloy (sensory) particles were embedded in a 7050 aluminum alloy matrix to detect the presence of fatigue cracks. Cracks exhibit an elevated stress field near their tip inducing a martensitic phase transformation in nearby sensory particles. Detectable levels of acoustic energy are emitted upon particle phase transformation such that the existence and location of fatigue cracks can be detected. To test this concept, a fatigue crack was grown in a mode-I single-edge notch fatigue crack growth specimen containing sensory particles. As the crack approached the sensory particles, measurements of particle strain, matrix-particle debonding, and phase transformation behavior of the sensory particles were performed. Full-field deformation measurements were performed using a novel multi-scale optical 3D digital image correlation (DIC) system. This information will be used in a finite element-based study to determine optimal sensory material behavior and density.

Shape memory behavior of single and polycrystalline nickel rich nickel titanium alloys

NASA Astrophysics Data System (ADS)

Kaya, Irfan

NiTi is the most commonly used shape memory alloy (SMA) and has been widely used for bio-medical, electrical and mechanical applications. Nickel rich NiTi shape memory alloys are coming into prominence due to their distinct superelasticity and shape memory properties as compared to near equi-atomic NiTi shape memory alloys. Besides, their lower density and higher work output than steels makes these alloys an excellent candidate for aerospace and automotive industry. Shape memory properties and phase transformation behavior of high Ni-rich Ni54Ti46 (at.%) polycrystals and Ni-rich Ni 51Ti49 (at.%) single-crystals are determined. Their properties are sensitive to heat treatments that affect the phase transformation behavior of these alloys. Phase transformation properties and microstructure were investigated in aged Ni54Ti46 alloys with differential scanning calorimetry (DSC) and transmission electron microscopy (TEM) to reveal the precipitation characteristics and R-phase formation. It was found that Ni54Ti46 has the ability to exhibit perfect superelasticity under high stress levels (~2 GPa) with 4% total strain after 550°C-3h aging. Stress independent R-phase transformation was found to be responsible for the change in shape memory behavior with stress. The shape memory responses of [001], [011] and [111] oriented Ni 51Ti49 single-crystals alloy were reported under compression to reveal the orientation dependence of their shape memory behavior. It has been found that transformation strain, temperatures and hysteresis, Classius-Clapeyron slopes, critical stress for plastic deformation are highly orientation dependent. The effects of precipitation formation and compressive loading at selected temperatures on the two-way shape memory effect (TWSME) properties of a [111]- oriented Ni51Ti49 shape memory alloy were revealed. Additionally, aligned Ni4Ti3 precipitates were formed in a single crystal of Ni51Ti49 alloy by aging under applied compression stress along the [111] direction. Formation of a single family of Ni4Ti3 precipitates were exhibited significant TWSME without any training or deformation. When the homogenized and aged specimens were loaded in martensite, positive TWSME was observed. After loading at high temperature in austenite, the homogenized specimen did not show TWSME while the aged specimen revealed negative TWSME.

In Situ Local Measurement of Austenite Mechanical Stability and Transformation Behavior in Third-Generation Advanced High-Strength Steels

NASA Astrophysics Data System (ADS)

Abu-Farha, Fadi; Hu, Xiaohua; Sun, Xin; Ren, Yang; Hector, Louis G.; Thomas, Grant; Brown, Tyson W.

2018-05-01

Austenite mechanical stability, i.e., retained austenite volume fraction (RAVF) variation with strain, and transformation behavior were investigated for two third-generation advanced high-strength steels (3GAHSS) under quasi-static uniaxial tension: a 1200 grade, two-phase medium Mn (10 wt pct) TRIP steel, and a 980 grade, three-phase TRIP steel produced with a quenching and partitioning heat treatment. The medium Mn (10 wt pct) TRIP steel deforms inhomogeneously via propagative instabilities (Lüders and Portevin Le Châtelier-like bands), while the 980 grade TRIP steel deforms homogenously up to necking. The dramatically different deformation behaviors of these steels required the development of a new in situ experimental technique that couples volumetric synchrotron X-ray diffraction measurement of RAVF with surface strain measurement using stereo digital image correlation over the beam impingement area. Measurement results with the new technique are compared to those from a more conventional approach wherein strains are measured over the entire gage region, while RAVF measurement is the same as that in the new technique. A determination is made as to the appropriateness of the different measurement techniques in measuring the transformation behaviors for steels with homogeneous and inhomogeneous deformation behaviors. Extension of the new in situ technique to the measurement of austenite transformation under different deformation modes and to higher strain rates is discussed.

In Situ Local Measurement of Austenite Mechanical Stability and Transformation Behavior in Third-Generation Advanced High-Strength Steels

NASA Astrophysics Data System (ADS)

Abu-Farha, Fadi; Hu, Xiaohua; Sun, Xin; Ren, Yang; Hector, Louis G.; Thomas, Grant; Brown, Tyson W.

2018-07-01

Austenite mechanical stability, i.e., retained austenite volume fraction (RAVF) variation with strain, and transformation behavior were investigated for two third-generation advanced high-strength steels (3GAHSS) under quasi-static uniaxial tension: a 1200 grade, two-phase medium Mn (10 wt pct) TRIP steel, and a 980 grade, three-phase TRIP steel produced with a quenching and partitioning heat treatment. The medium Mn (10 wt pct) TRIP steel deforms inhomogeneously via propagative instabilities (Lüders and Portevin Le Châtelier-like bands), while the 980 grade TRIP steel deforms homogenously up to necking. The dramatically different deformation behaviors of these steels required the development of a new in situ experimental technique that couples volumetric synchrotron X-ray diffraction measurement of RAVF with surface strain measurement using stereo digital image correlation over the beam impingement area. Measurement results with the new technique are compared to those from a more conventional approach wherein strains are measured over the entire gage region, while RAVF measurement is the same as that in the new technique. A determination is made as to the appropriateness of the different measurement techniques in measuring the transformation behaviors for steels with homogeneous and inhomogeneous deformation behaviors. Extension of the new in situ technique to the measurement of austenite transformation under different deformation modes and to higher strain rates is discussed.

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.

Phase transformations in ion-irradiated silicides

NASA Technical Reports Server (NTRS)

Hewett, C. A.; Lau, S. S.; Suni, I.; Hung, L. S.

1985-01-01

The present investigation has three objectives. The first is concerned with the phase transformation of CoSi2 under ion implantation and the subsequent crystallization characteristics during annealing, taking into account epitaxial and nonepitaxial recrystallization behavior. The second objective is related to a study of the general trend of implantation-induced damage and crystallization behavior for a number of commonly used silicides. The last objective involves a comparison of the recrystallization behavior of cosputtered refractory silicides with that of the ion-implanted silicides. It was found that epitaxial regrowth of ion-irradiated CoSi2 occurred for samples with an epitaxial seed left at the Si/CoSi2 interface. A structural investigation of CoSi2 involving transmission electron microscopy (TEM) showed that after high-dose implantation CoSi2 is amorphous.

Probing microstructure and phase evolution of α-MoO 3 nanobelts for sodium-ion batteries by in situ transmission electron microscopy

DOE PAGES

Xia, Weiwei; Xu, Feng; Zhu, Chongyang; ...

2016-07-15

The fundamental electrochemical reaction mechanisms and the phase transformation pathways of layer-structured α-MoO 3 nanobelt during the sodiation/desodiation process to date remain largely unknown. In this study, to observe the real-time sodiation/desodiaton behaviors of α-MoO 3 during electrochemical cycling, we construct a MoO 3 anode sodium-ion battery inside a transmission electron microscope (TEM). Utilizing in situ TEM and electron diffraction pattern (EDP) observation, α-MoO 3 nanobelts are found to undergo a unique multi-step phase transformation. Upon the first sodiation, α-MoO 3 nanobelts initially form amorphous Na xMoO3 phase and are subsequently sodiated into intermediate phase of crystalline NaMoO 2, finallymore » resulting in the crystallized Mo nanograins embedded within the Na 2O matrix. During the first desodiation process, Mo nanograins are firstly re-oxidized into intermediate phase NaMoO 2 that is further transformed into amorphous Na 2MoO 3, resulting in an irreversible phase transformation. Upon subsequent sodiation/desodiation cycles, however, a stable and reversible phase transformation between crystalline Mo and amorphous Na2MoO 3 phases has been revealed. In conclusion, our work provides an in-deepth understanding of the phase transformation pathways of α-MoO 3 nanobelts upon electrochemical sodiation/desodiation processes, with the hope of assistance in designing sodium-ion batteries with enhanced performance.« less

Sign reversal of transformation entropy change in Co{sub 2}Cr(Ga,Si) shape memory alloys

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

Xu, Xiao, E-mail: xu@material.tohoku.ac.jp; Omori, Toshihiro; Kainuma, Ryosuke

2015-11-02

In situ X-ray diffraction (XRD) measurements and compression tests were performed on Co{sub 2}Cr(Ga,Si) shape memory alloys. The reentrant martensitic transformation behavior was directly observed during the in situ XRD measurements. The high-temperature parent phase and low-temperature reentrant parent phase were found to have a continuous temperature dependence of lattice parameter, therefore suggesting that they are the same phase in nature. Moreover, compression tests were performed on a parent-phase single crystal sample; an evolution from normal to inverse temperature dependence of critical stress for martensitic transformation was directly observed. Based on the Clausius-Clapeyron analysis, a sign reversal of entropy changemore » can be expected on the same alloy.« less

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

Lopes, E.S.N.; Cremasco, A.; Afonso, C.R.M.

Aging heat treatment can be a good way to optimize mechanical properties, changing the microstructure, and hence, the mechanical behavior of Ti alloys. The effects of aging heat treatments on {beta}-type Ti-30Nb alloy were investigated to evaluate the kinetics of {alpha}'' {yields} {alpha} + {beta} transformation. The results obtained from differential scanning calorimetry and high-temperature X-ray diffraction experiments indicated the complete decomposition of orthorhombic {alpha}'' phase at close to 300 deg. C, followed by {alpha} phase precipitation at 470 deg. C. The aging heat treatments also enabled us to observe a transformation sequence {alpha}'' {yields} {beta} + {omega} {yields} {beta}more » + {omega} + {alpha}, indicating martensite decomposition and {omega} phase precipitation at 260 deg. C after 2 h, followed by {alpha} phase nucleation after heating at 400 deg. C for 1 h. The elastic modulus and Vickers hardness of Ti-30Nb alloy were found to be very sensitive to the microstructural changes caused by heat treatment. - Highlights: {yields} DSC and XRD shed light on the {alpha}'' decomposition and nucleation of {omega} and {alpha} phases. {yields} Aging allows for {alpha}''{yields}{beta} transformation and nucleation of {omega} dispersed in the {beta} matrix. {yields} During aging, {alpha}'' interplanar distances are reduced to enable {beta} phase nucleation. {yields} Mechanical behavior is dependent on the microstructure and the phases in the alloy. {yields} It is not possible to obtain high strength and low elastic modulus by applying aging.« less

Phase Transformation and Creep Behavior in Ti50Pd30Ni20 High Temperature Shape Memory Alloy in Compression

NASA Technical Reports Server (NTRS)

Kumar, Parikshith K.; Desai, Uri; Monroe, James; Lagoudas, Dimitris C.; Karaman, Ibrahim; Noebe, Ron; Bigelow, Glenn

2010-01-01

The creep behavior and the phase transformation of Ti50Pd30Ni20 High Temperature Shape Memory Alloy (HTSMA) is investigated by standard creep tests and thermomechanical tests. Ingots of the alloy are induction melted, extruded at high temperature, from which cylindrical specimens are cut and surface polished. A custom high temperature test setup is assembled to conduct the thermomechanical tests. Following preliminary monotonic tests, standard creep tests and thermally induced phase transformation tests are conducted on the specimen. The creep test results suggest that over the operating temperatures and stresses of this alloy, the microstructural mechanisms responsible for creep change. At lower stresses and temperatures, the primary creep mechanism is a mixture of dislocation glide and dislocation creep. As the stress and temperature increase, the mechanism shifts to predominantly dislocation creep. If the operational stress or temperature is raised even further, the mechanism shifts to diffusion creep. The thermally induced phase transformation tests show that actuator performance can be affected by rate independent irrecoverable strain (transformation induced plasticity + retained martensite) as well as creep. The rate of heating and cooling can adversely impact the actuators performance. While the rate independent irrecoverable strain is readily apparent early in the actuators life, viscoplastic strain continues to accumulate over the lifespan of the HTSMA. Thus, in order to get full actuation out of the HTSMA, the heating and cooling rates must be sufficiently high enough to avoid creep.

Experimental evidence of stress-field-induced selection of variants in Ni-Mn-Ga ferromagnetic shape-memory alloys

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

Wang, Y. D.; Key Laboratory for Anisotropy and Texture of Materials; Brown, D. W.

2007-05-01

The in situ time-of-flight neutron-diffraction measurements captured well the martensitic transformation behavior of the Ni-Mn-Ga ferromagnetic shape-memory alloys under uniaxial stress fields. We found that a small uniaxial stress applied during phase transformation dramatically disturbed the distribution of variants in the product phase. The observed changes in the distributions of variants may be explained by considering the role of the minimum distortion energy of the Bain transformation in the effective partition among the variants belonging to the same orientation of parent phase. It was also found that transformation kinetics under various stress fields follows the scale law. The present investigationsmore » provide the fundamental approach for scaling the evolution of microstructures in martensitic transitions, which is of general interest to the condensed matter community.« less

Structural phase transition of gold under uniaxial, tensile, and triaxial stresses: An ab initio study

NASA Astrophysics Data System (ADS)

Durandurdu, Murat

2007-07-01

The behavior of gold crystal under uniaxial, tensile, and three different triaxial stresses is studied using an ab initio constant pressure technique within a generalized gradient approximation. Gold undergoes a phase transformation from the face-centered-cubic structure (fcc) to a body-centered-tetragonal (bct) structure having the space group of I4/mmm with the application of uniaxial stress, while it transforms to a face-centered-tetragonal (fct) phase within I4/mmm symmetry under uniaxial tensile loading. Further uniaxial compression of the bct phase results in a symmetry change from I4/mmm to P1 at high stresses and ultimately structural failure around 200.0GPa . For the case of triaxial stresses, gold also converts into a bct state. The critical stress for the fcc-to-bct transformation increases as the ratio of the triaxial stress increases. Both fct and bct phases are elastically unstable.

Atomic disorder, phase transformation, and phase restoration in Co3Sn2

NASA Astrophysics Data System (ADS)

di, L. M.; Zhou, G. F.; Bakker, H.

1993-03-01

The behavior of the intermetallic compound Co3Sn2 upon ball milling was studied by x-ray diffraction, high-field-magnetization measurements, and subsequently by differential scanning calorimetry. It turns out that starting from the stoichiometric-ordered compound, mechanical attrition of Co3Sn2 generates atomic disorder in the early stage of milling. The nonequilibrium phase transformation from the low-temperature phase with orthorhombic structure to the high-temperature phase with a hexagonal structure was observed in the intermediate stage of milling. It was accompanied by the creation of increasing atomic disorder. After long milling periods, the phase transformation was completed and the atomic disordering became saturated. All the physical parameters measured in the present work remained constant during this period. The above outcome was confirmed by comparison with the high-temperature phase thermally induced by quenching. The good agreement of the results obtained by different techniques proves that the ball milling generates well-defined metastable states in Co3Sn2.

Microstructural Control via Copious Nucleation Manipulated by In Situ Formed Nucleants: Large-Sized and Ductile Metallic Glass Composites.

PubMed

Song, Wenli; Wu, Yuan; Wang, Hui; Liu, Xiongjun; Chen, Houwen; Guo, Zhenxi; Lu, Zhaoping

2016-10-01

A novel strategy to control the precipitation behavior of the austenitic phase, and to obtain large-sized, transformation-induced, plasticity-reinforced bulk metallic glass matrix composites, with good tensile properties, is proposed. By inducing heterogeneous nucleation of the transformable reinforcement via potent nucleants formed in situ, the characteristics of the austenitic phase are well manipulated. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-temperature ultrasonic characterization of the mechanical and microstructural behavior of a fibrous composite with a magnesium lithium aluminum silicate glass-ceramic matrix

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

Cutard, T.; Huger, M.; Fargeot, D.

The mechanical behavior and the microstructural modifications of a SiC-fiber-reinforced magnesium lithium aluminum silicate glass-ceramic (SiC/MASL) have been characterized by ultrasonic measurement of uniaxial Young`s modulus at high temperature. Under vacuum, long isothermal agings in the 750--1,000 C temperature range have shown matrix modifications in terms of crystallization of residual glassy phases, and of phase transformations in the Li{sub 2}O-Al{sub 2}O{sub 3}-SiO{sub 2} system. In air, long isothermal agings performed under the same conditions have led to the same matrix transformations but in competition with oxidation mechanisms of the carbon fiber-matrix interphase. All of these matrix and/or interface transformations havemore » been confirmed by X-ray diffraction analysis, scanning electron microscopy, scanning acoustic microscopy, and microindentation tests.« less

Pressure Induced Phase Transformations of Silica Polymorphs and Glasses

NASA Astrophysics Data System (ADS)

Cagin, Tahir; Demiralp, Ersan; Goddard, William A., III

1998-03-01

Silica, SiO_2, is one of the most widely studied substance, and it has some complex and unusual properties. We have used a recently developed 2-body interaction force field (E. Demiralp, T. Cagin, W.A. Goddard, III, unpublished.) to study the structural phase transformations in silica under various pressure loading conditions. The specific transformations we studied are α-quartz to stishovite, coesite to stishovite and fused glass to stishovite-like dense, a dominantly six-coordinated glassy phase. Molecular dynamics simulations are performed under the constant loading rates ranging from 0.1 GPa/ps to 2.0 GPa/ps, pressures upto 100 GPa and at temperatures 300, 500, 700 and 900 K. We observe the crystal to crystal transformations to occur reconstructively, whereas it occurs in a smooth and displacive manner from glass to a stishovite-like phase confirming earlier conjectures. (E.M. Stolper and T.J. Ahrens, Geophys. Res. Let.) 14, 1231 (1987). To elucidate the shock loading experiments, we studied the dependence of transition pressure on the loading rate and the temperature. To assess the hysterisis effect we also studied the unloading behavior of each transformation.

Transformation-Induced, Geometrically Necessary, Dislocation-Based Flow Curve Modeling of Dual-Phase Steels: Effect of Grain Size

NASA Astrophysics Data System (ADS)

Ramazani, Ali; Mukherjee, Krishnendu; Prahl, Ulrich; Bleck, Wolfgang

2012-10-01

The flow behavior of dual-phase (DP) steels is modeled on the finite-element method (FEM) framework on the microscale, considering the effect of the microstructure through the representative volume element (RVE) approach. Two-dimensional RVEs were created from microstructures of experimentally obtained DP steels with various ferrite grain sizes. The flow behavior of single phases was modeled through the dislocation-based work-hardening approach. The volume change during austenite-to-martensite transformation was modeled, and the resultant prestrained areas in the ferrite were considered to be the storage place of transformation-induced, geometrically necessary dislocations (GNDs). The flow curves of DP steels with varying ferrite grain sizes, but constant martensite fractions, were obtained from the literature. The flow curves of simulations that take into account the GND are in better agreement with those of experimental flow curves compared with those of predictions without consideration of the GND. The experimental results obeyed the Hall-Petch relationship between yield stress and flow stress and the simulations predicted this as well.

Gel-like properties of MCM-41 material and its transformation to MCM-50 in a caustic alkaline surround

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

Saputra, Hens; Othman, Raihan, E-mail: raihan@iium.edu.my; Sutjipto, A.G.E.

2012-03-15

Highlights: Black-Right-Pointing-Pointer MCM-41 material transforms gradually into MCM-50 lamellar gel upon controlled exposure to 6 M KOH. Black-Right-Pointing-Pointer The formation of MCM-50 ordered gel structure occurs at KOH weight content of 40-70 wt. %. Black-Right-Pointing-Pointer MCM gel phase shows pseudoplastic behavior and possesses homogeneous matrix texture. -- Abstract: MCM-41 material, prepared by sol-gel method, reveals gel-like properties in a caustic alkaline environment, i.e., 6 M potassium hydroxide (KOH) electrolyte. The gellation of MCM-41 starts at a KOH weight ratio of 40 wt.%. The structural change of the material is verified with X-Ray diffractograms and supported by observation using Scanning Electronmore » Microscope (SEM). As the KOH weight ratio increases, the MCM-41 hexagonal arrays structure gradually transforms into MCM-50 lamellar structure before disappearing completely at 80 wt.% KOH. The MCM gel phase is further characterized by rotational viscometry and texture analysis. The gel phase shows shear thinning or pseudoplastic behavior and possesses homogeneous matrix structure.« less

Numerical Simulation of the Freeze-Thaw Behavior of Mortar Containing Deicing Salt Solution

PubMed Central

Esmaeeli, Hadi S.; Farnam, Yaghoob; Bentz, Dale P.; Zavattieri, Pablo D.; Weiss, Jason

2016-01-01

This paper presents a one-dimensional finite difference model that is developed to describe the freeze-thaw behavior of an air-entrained mortar containing deicing salt solution. A phenomenological model is used to predict the temperature and the heat flow for mortar specimens during cooling and heating. Phase transformations associated with the freezing/melting of water/ice or transition of the eutectic solution from liquid to solid are included in this phenomenological model. The lever rule is used to calculate the quantity of solution that undergoes the phase transformation, thereby simulating the energy released/absorbed during phase transformation. Undercooling and pore size effects are considered in the numerical model. To investigate the effect of pore size distribution, this distribution is considered using the Gibbs-Thomson equation in a saturated mortar specimen. For an air-entrained mortar, the impact of considering pore size (and curvature) on freezing was relatively insignificant; however the impact of pore size is much more significant during melting. The fluid inside pores smaller than 5 nm (i.e., gel pores) has a relatively small contribution in the macroscopic freeze-thaw behavior of mortar specimens within the temperature range used in this study (i.e., +24 °C to −35 °C), and can therefore be neglected for the macroscopic freeze-thaw simulations. A heat sink term is utilized to simulate the heat dissipation during phase transformations. Data from experiments performed using a low-temperature longitudinal guarded comparative calorimeter (LGCC) on mortar specimens fully saturated with various concentration NaCl solutions or partially saturated with water is compared to the numerical results and a promising agreement is generally obtained. PMID:28082830

Numerical Simulation of the Freeze-Thaw Behavior of Mortar Containing Deicing Salt Solution.

PubMed

Esmaeeli, Hadi S; Farnam, Yaghoob; Bentz, Dale P; Zavattieri, Pablo D; Weiss, Jason

2017-02-01

This paper presents a one-dimensional finite difference model that is developed to describe the freeze-thaw behavior of an air-entrained mortar containing deicing salt solution. A phenomenological model is used to predict the temperature and the heat flow for mortar specimens during cooling and heating. Phase transformations associated with the freezing/melting of water/ice or transition of the eutectic solution from liquid to solid are included in this phenomenological model. The lever rule is used to calculate the quantity of solution that undergoes the phase transformation, thereby simulating the energy released/absorbed during phase transformation. Undercooling and pore size effects are considered in the numerical model. To investigate the effect of pore size distribution, this distribution is considered using the Gibbs-Thomson equation in a saturated mortar specimen. For an air-entrained mortar, the impact of considering pore size (and curvature) on freezing was relatively insignificant; however the impact of pore size is much more significant during melting. The fluid inside pores smaller than 5 nm (i.e., gel pores) has a relatively small contribution in the macroscopic freeze-thaw behavior of mortar specimens within the temperature range used in this study (i.e., +24 °C to -35 °C), and can therefore be neglected for the macroscopic freeze-thaw simulations. A heat sink term is utilized to simulate the heat dissipation during phase transformations. Data from experiments performed using a low-temperature longitudinal guarded comparative calorimeter (LGCC) on mortar specimens fully saturated with various concentration NaCl solutions or partially saturated with water is compared to the numerical results and a promising agreement is generally obtained.

Characterizing new compositions of [001]C relaxor ferroelectric single crystals using a work-energy model

NASA Astrophysics Data System (ADS)

Gallagher, John A.

2016-04-01

The desired operating range of ferroelectric materials with compositions near the morphotropic phase boundary is limited by field induced phase transformations. In [001]C cut and poled relaxor ferroelectric single crystals the mechanically driven ferroelectric rhombohedral to ferroelectric orthorhombic phase transformation is hindered by antagonistic electrical loading. Instability around the phase transformation makes the current experimental technique for characterization of the large field behavior very time consuming. Characterization requires specialized equipment and involves an extensive set of measurements under combined electrical, mechanical, and thermal loads. In this work a mechanism-based model is combined with a more limited set of experiments to obtain the same results. The model utilizes a work-energy criterion that calculates the mechanical work required to induce the transformation and the required electrical work that is removed to reverse the transformation. This is done by defining energy barriers to the transformation. The results of the combined experiment and modeling approach are compared to the fully experimental approach and error is discussed. The model shows excellent predictive capability and is used to substantially reduce the total number of experiments required for characterization. This decreases the time and resources required for characterization of new compositions.

Phase transformation pathways of Ln2O3 irradiated by ultrafast laser

NASA Astrophysics Data System (ADS)

Rittman, Dylan; Solomon, Jonathan; Chen, Curtis; Tracy, Cameron; Yalisove, Steven; Asta, Mark; Mao, Wendy; Ewing, Rodney

Ultrafast laser irradiation induces highly non-equilibrium conditions in materials through intense electronic excitation over very short timescales. Here, we show that ultrafast laser irradiation drives an irreversible cubic-to-monoclinic phase transformation in Ln2O3 (Ln = Er-Lu). A combination of grazing incidence X-ray diffraction and transmission electron microscopy is used to characterize the amount and depth-dependence of the phase transformation. Results indicate that-although all materials experience the same transformation-it is achieved through different damage mechanisms (pressure vs. thermal), and the short timescales associated with damage provides non-equilibrium routes of material modification. Ab initio molecular dynamics are used to isolate the effects of electronic excitations, and results are shown to be consistent with the trend in radiation resistance observed experimentally. Overall, this study provides a path to gain insight into the relationship between a material's equilibrium phase diagram and its behavior under highly non-equilibrium conditions. DOE/BES.

Transformation of Context-dependent Sensory Dynamics into Motor Behavior

PubMed Central

Latorre, Roberto; Levi, Rafael; Varona, Pablo

2013-01-01

The intrinsic dynamics of sensory networks play an important role in the sensory-motor transformation. In this paper we use conductance based models and electrophysiological recordings to address the study of the dual role of a sensory network to organize two behavioral context-dependent motor programs in the mollusk Clione limacina. We show that: (i) a winner take-all dynamics in the gravimetric sensory network model drives the typical repetitive rhythm in the wing central pattern generator (CPG) during routine swimming; (ii) the winnerless competition dynamics of the same sensory network organizes the irregular pattern observed in the wing CPG during hunting behavior. Our model also shows that although the timing of the activity is irregular, the sequence of the switching among the sensory cells is preserved whenever the same set of neurons are activated in a given time window. These activation phase locks in the sensory signals are transformed into specific events in the motor activity. The activation phase locks can play an important role in motor coordination driven by the intrinsic dynamics of a multifunctional sensory organ. PMID:23459114

Precipitation-induced of partial annealing of Ni-rich NiTi shape memory alloy

NASA Astrophysics Data System (ADS)

Nashrudin, Muhammad Naqib; Mahmud, Abdus Samad; Mohamad, Hishamiakim

2018-05-01

NiTi shape memory alloy behavior is very sensitive to alloy composition and heat treatment processes. Thermomechanical behavior of near-equiatomic alloy is normally enhanced by partial anneal of a cold-worked specimen. The shape memory behavior of Ni-rich alloy can be enhanced by ageing precipitation. This work studied the effect of simultaneous partial annealing and ageing precipitation of a Ni-rich cold drawn Ti-50.9at%Ni wire towards martensite phase transformation behavior. Ageing treatment of a non-cold worked specimen was also done for comparison. It was found that the increase of heat treatment temperature caused the forward transformation stress to decrease for the cold worked and non-cold worked specimens. Strain recovery on the reverse transformation of the cold worked wire improved compared to the non-cold worked wire as the temperature increased.

Structural transition in lanthanum gallate and transformation of the fine structure of the EPR spectrum of a Gd3+ impurity center

NASA Astrophysics Data System (ADS)

Vazhenin, V. A.; Guseva, V. B.; Fokin, A. V.; Potapov, A. P.; Artyomov, M. Yu.

2011-04-01

Abrupt changes in resonance positions, hysteretic temperature behavior, and coexistence of phases, which indicate a first-order phase transition, have been revealed from measurements of temperature dependences of the EPR spectra of Gd3+ and Mn4+ centers in the vicinity of the structural transition of lanthanum gallate. The transformation of monoclinic Gd3+ centers into trigonal Gd3+ centers upon the phase transition has been used to estimate the adequacy of two approximations of the superposition model for parameters of the zero-field splitting of the ground state.

The effects of Nitinol phases on corrosion and fatigue behavior

NASA Astrophysics Data System (ADS)

Denton, Melissa

The purpose of these studies was to provide a detailed understanding of Nitinol phases and their effects on corrosion and fatigue life. The two primary phases, austenite and martensite, were carefully evaluated with respect to material geometry, corrosion behavior, wear, and fatigue life. Material characterization was performed using several techniques that include metallography, scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), x-ray photoelectron spectrum (XPS), and Auger electron spectroscopy (AES). Uniaxial tensile tests were conducted to determine the mechanical properties such as elongation, ultimate tensile strength, modulus, transformation strain, and plateau stress. In addition, accelerated wear testing and four point bend fatigue testing were completed to study the fatigue life and durability of the material. The corrosion of Nitinol was found to be dependent on various surface conditions. Electrochemical corrosion behavior of each phase was investigated using cyclic potentiodyamic polarization testing. The corrosion response of electropolished Nitinol was found to be acceptable, even after durability testing. Stress-induced martensite had a lower breakdown potential due to a rougher surface morphology, while thermally induced martensite and austenite performed similarly well. The surface conditioning also had a significant effect on Nitinol mechanical properties. Electropolishing provided a smooth mirror finish that reduced localized texture and enhanced the ductility of the material. Quasi-static mechanical properties can be good indicators of fatigue life, but further fatigue testing revealed that phase transformations had an important role as well. The governing mechanisms for the fatigue life of Nitinol were determined to be both martesitic phase transformations and surface defects. A new ultimate dislocation strain model was proposed based on specific accelerated step-strain testing.

Microstructures, Martensitic Transformation, and Mechanical Behavior of Rapidly Solidified Ti-Ni-Hf and Ti-Ni-Si Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Han, X. L.; Song, K. K.; Zhang, L. M.; Xing, H.; Sarac, B.; Spieckermann, F.; Maity, T.; Mühlbacher, M.; Wang, L.; Kaban, I.; Eckert, J.

2018-03-01

In this work, the microstructure and mechanical properties of rapidly solidified Ti50- x/2Ni50- x/2Hf x ( x = 0, 2, 4, 6, 8, 10, and 12 at.%) and Ti50- y/2Ni50- y/2Si y ( y = 1, 2, 3, 5, 7, and 10 at.%) shape memory alloys (SMAs) were investigated. The sequence of the phase formation and transformations in dependence on the chemical composition is established. Rapidly solidified Ti-Ni-Hf or Ti-Ni-Si SMAs are found to show relatively high yield strength and large ductility for specific Hf or Si concentrations, which is due to the gradual disappearance of the phase transformation from austenite to twinned martensite and the predominance of the phase transformation from twinned martensite to detwinned martensite during deformation as well as to the refinement of dendrites and the precipitation of brittle intermetallic compounds.

Phase Transformation Study in Nb-Mo Microalloyed Steels Using Dilatometry and EBSD Quantification

NASA Astrophysics Data System (ADS)

Isasti, Nerea; Jorge-Badiola, Denis; Taheri, Mitra L.; Uranga, Pello

2013-08-01

A complete microstructural characterization and phase transformation analysis has been performed for several Nb and Nb-Mo microalloyed low-carbon steels using electron backscattered diffraction (EBSD) and dilatometry tests. Compression thermomechanical schedules were designed resulting in the undeformed and deformed austenite structures before final transformation. The effects of microalloying additions and accumulated deformation were analyzed after CCT diagram development and microstructural quantification. The resulting microstructures ranged from polygonal ferrite and pearlite at slow cooling ranges, to a combination of quasipolygonal ferrite and granular ferrite for intermediate cooling rates, and finally, to bainitic ferrite with martensite for fast cooling rates. The addition of Mo promotes a shift in the CCT diagrams to lower transformation start temperatures. When the amount of Nb is increased, CCT diagrams show little variations for transformations from the undeformed austenite and higher initial transformation temperatures in the transformations from the deformed austenite. This different behavior is due to the effect of niobium on strain accumulation in austenite and its subsequent acceleration of transformation kinetics. This article shows the complex interactions between chemical composition, deformation, and the phases formed, as well as their effect on microstructural unit sizes and homogeneity.

Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles.

PubMed

Corsini, Niccolo R C; Zhang, Yuanpeng; Little, William R; Karatutlu, Ali; Ersoy, Osman; Haynes, Peter D; Molteni, Carla; Hine, Nicholas D M; Hernandez, Ignacio; Gonzalez, Jesus; Rodriguez, Fernando; Brazhkin, Vadim V; Sapelkin, Andrei

2015-11-11

Over the last two decades, it has been demonstrated that size effects have significant consequences for the atomic arrangements and phase behavior of matter under extreme pressure. Furthermore, it has been shown that an understanding of how size affects critical pressure-temperature conditions provides vital guidance in the search for materials with novel properties. Here, we report on the remarkable behavior of small (under ~5 nm) matrix-free Ge nanoparticles under hydrostatic compression that is drastically different from both larger nanoparticles and bulk Ge. We discover that the application of pressure drives surface-induced amorphization leading to Ge-Ge bond overcompression and eventually to a polyamorphic semiconductor-to-metal transformation. A combination of spectroscopic techniques together with ab initio simulations were employed to reveal the details of the transformation mechanism into a new high density phase-amorphous metallic Ge.

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

Chang, L. L.; Wang, Y. D.; Ren, Y.

Microstructure evolution, mechanical behaviors of cold rolled Ti-Nb alloys with different Nb contents subjected to different heat treatments were investigated. Here, optical microstructure and phase compositions of Ti-Nb alloys were characterized using optical microscopy and X-ray diffractometre, while mechanical behaviors of Ti-Nb alloys were examined by using tension tests. Stress-induced martensitic transformation in a Ti-30. at%Nb binary alloy was in-situ explored by synchrotron-based high-energy X-ray diffraction (HE-XRD). The results obtained suggested that mechanical behavior of Ti-Nb alloys, especially Young's modulus was directly dependent on chemical compositions and heat treatment process. According to the results of HE-XRD, α"-V1 martensite generated priormore » to the formation of α"-V2 during loading and a partial reversible transformation from α"-V1 to β phase was detected while α"-V2 tranformed to β completely during unloading.« less

High-Pressure Behavior of Difluorides: The Case of SrF2

NASA Astrophysics Data System (ADS)

Swadba, K. E.; Stan, C. V.; Dutta, R.; Prakapenka, V.; Duffy, T. S.

2016-12-01

The high-pressure behavior of compounds in the AX2 family has attracted much attention due to their extensive polymorphism, highly coordinated structures, and diverse transformation pathways. The canonical transformation sequence for alkaline earth difluorides is from the fluorite-type structure (8 coordinated) to cotunnite (9 coordinated) to Ni2In (11 coordinated). Lead Fluoride, on the other hand, undergoes an unusual isosymmetric transition from cotunnite to a Co2Si-type structure (10 coordinated) at high pressures, during which it exhibits highly anisotropic lattice parameter trends (Haines et al, 1998; Stan et al 2016). Sr has a similar ionic radius as Pb, and is thus a good candidate for further exploring the compressional anisotropy in alkaline earth fluorides. In this study, we report a detailed examination of the compressional behavior of SrF2 to identify whether an intermediate phase occurs in this system prior to transformation to the Ni2In structure. Raman spectroscopy and x-ray diffraction experiments, performed at Princeton University and the Advanced Photon Source GSECARS beamline, respectively, were carried out on SrF2 up to 63 GPa using a diamond anvil cell. From Raman spectroscopy, we observed evidence for a high-pressure phase transition between 38.9 and 51.0 GPa. The x-ray diffraction data in this region show evidence for highly anisotropic compression, most notably a strong negative compressibility in the b direction, in the pressure region from 45.2 to 51.6 GPa. Comparison of our data with lattice parameter systematics for AX2 phases indicates that our results are consistent with the formation of the Co2Si phase in this region, along with a sluggish transformation to the Ni2In-type structure. Our findings contribute to a broader understanding of AX2 compounds and their phase transition pathways.

Microstructural Features Controlling Ductile-to-Brittle Transition Behavior in High-Strength, Martensitic Steel Weld Metals

DTIC Science & Technology

1990-10-01

the austenite phase, suppresses transformation to ferrite and bainite, and promotes martensite transformation . This is shown in Fig. 4a by a shift of...100% martensite , or austenitized and isothermally transformed to produce varying proportions of upper bainite. Fracture toughness and cleavage fracture...predominantly martensitic microstructure. The reduction in hardness was caused by tempering of the martensite during deposition of subsequent passes and by

Computer simulations of austenite decomposition of microalloyed 700 MPa steel during cooling

NASA Astrophysics Data System (ADS)

Pohjonen, Aarne; Paananen, Joni; Mourujärvi, Juho; Manninen, Timo; Larkiola, Jari; Porter, David

2018-05-01

We present computer simulations of austenite decomposition to ferrite and bainite during cooling. The phase transformation model is based on Johnson-Mehl-Avrami-Kolmogorov type equations. The model is parameterized by numerical fitting to continuous cooling data obtained with Gleeble thermo-mechanical simulator and it can be used for calculation of the transformation behavior occurring during cooling along any cooling path. The phase transformation model has been coupled with heat conduction simulations. The model includes separate parameters to account for the incubation stage and for the kinetics after the transformation has started. The incubation time is calculated with inversion of the CCT transformation start time. For heat conduction simulations we employed our own parallelized 2-dimensional finite difference code. In addition, the transformation model was also implemented as a subroutine in commercial finite-element software Abaqus which allows for the use of the model in various engineering applications.

Enhanced densification under shock compression in porous silicon

NASA Astrophysics Data System (ADS)

Lane, J. Matthew D.; Thompson, Aidan P.; Vogler, Tracy J.

2014-10-01

Under shock compression, most porous materials exhibit lower densities for a given pressure than that of a full-dense sample of the same material. However, some porous materials exhibit an anomalous, or enhanced, densification under shock compression. We demonstrate a molecular mechanism that drives this behavior. We also present evidence from atomistic simulation that silicon belongs to this anomalous class of materials. Atomistic simulations indicate that local shear strain in the neighborhood of collapsing pores nucleates a local solid-solid phase transformation even when bulk pressures are below the thermodynamic phase transformation pressure. This metastable, local, and partial, solid-solid phase transformation, which accounts for the enhanced densification in silicon, is driven by the local stress state near the void, not equilibrium thermodynamics. This mechanism may also explain the phenomenon in other covalently bonded materials.

Estimation of Transformation Temperatures in Ti-Ni-Pd Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Narayana, P. L.; Kim, Seong-Woong; Hong, Jae-Keun; Reddy, N. S.; Yeom, Jong-Taek

2018-03-01

The present study focused on estimating the complex nonlinear relationship between the composition and phase transformation temperatures of Ti-Ni-Pd shape memory alloys by artificial neural networks (ANN). The ANN models were developed by using the experimental data of Ti-Ni-Pd alloys. It was found that the predictions are in good agreement with the trained and unseen test data of existing alloys. The developed model was able to simulate new virtual alloys to quantitatively estimate the effect of Ti, Ni, and Pd on transformation temperatures. The transformation temperature behavior of these virtual alloys is validated by conducting new experiments on the Ti-rich thin film that was deposited using multi target sputtering equipment. The transformation behavior of the film was measured by varying the composition with the help of aging treatment. The predicted trend of transformational temperatures was explained with the help of experimental results.

Uniaxial, Pure Bending, and Column Buckling Experiments on Superelastic NiTi Rods and Tubes

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

Watkins, Ryan T.; Reedlunn, Benjamin; Daly, Samantha

Many existing shape memory alloy (SMA) devices consist of slender beams and frames. To better understand SMA beam behavior, we experimentally examined the isothermal, room temperature response of superelastic NiTi rods and tubes, of similar outer diameters, subjected to four different modes of loading. Pure tension, pure compression, and pure bending experiments were first performed to establish and compare the baseline uniaxial and bending behaviors of rods and tubes. Column buckling experiments were then performed on rod and tube columns of several slenderness ratios to investigate their mechanical responses, phase transformation kinetics under combined uniaxial and bending deformation, and themore » interaction between material and structural instabilities. In all experiments, stereo digital image correlation measured local displacement fields in order to capture phenomena such as strain localization and propagating phase boundaries. Superelastic mechanical behavior and the nature of stress-induced phase transformation were found to be strongly affected by specimen geometry and the deformation mode. Under uniaxial tension, both the rod and tube had well-defined loading and unloading plateaus in their superelastic responses, during which stress-induced phase transformation propagated along the length of the specimen in the form of a high/low strain front. Due to the dependence of strain localization on kinematic compatibility, the high/low strain front morphologies differed between the rod and tube: for the rod, the high/low strain front consisted of a diffuse “neck”, while the high/low strain front in the tube consisted of distinct, criss-crossing “fingers.” During uniaxial compression, both cross-sectional forms exhibited higher transformation stresses and smaller transformation strains than uniaxial tension, highlighting the now well-known tension-compression asymmetry of SMAs. Additionally, phase transformation localization and propagation were absent under compressive loading. During pure bending, the moment-curvature response of both forms exhibited plateaus and strain localization during forward and reverse transformations. Rod specimens developed localized, high-curvature regions that propagated along the specimen axis and caused shear strain near the high/low curvature interface; whereas, the tube specimens exhibited finger/wedge-like high strain regions over the tensile side of the tube which caused nonlinear strain profiles through the thickness of the specimen that did not propagate. Here, it was therefore found that classical beam theory assumptions did not hold in the presence of phase transformation localization (although, the assumptions did hold on average for the tube). During column buckling, the structures were loaded into the post-buckling regime yet recovered nearly-straight forms upon unloading. Strain localization was observed only for high aspect ratio (slender) tubes, but the mechanical responses were similar to that of rods of the same slenderness ratio. Also, an interesting “unbuckling” phenomenon was discovered in certain low aspect ratio (stout) columns, where late post-buckling straightening was observed despite continuous monotonic loading. Thus, these behaviors are some of the challenging phenomena which must be captured when developing SMA constitutive models and executing structural simulations.« less

Uniaxial, Pure Bending, and Column Buckling Experiments on Superelastic NiTi Rods and Tubes

DOE PAGES

Watkins, Ryan T.; Reedlunn, Benjamin; Daly, Samantha; ...

2018-03-23

Many existing shape memory alloy (SMA) devices consist of slender beams and frames. To better understand SMA beam behavior, we experimentally examined the isothermal, room temperature response of superelastic NiTi rods and tubes, of similar outer diameters, subjected to four different modes of loading. Pure tension, pure compression, and pure bending experiments were first performed to establish and compare the baseline uniaxial and bending behaviors of rods and tubes. Column buckling experiments were then performed on rod and tube columns of several slenderness ratios to investigate their mechanical responses, phase transformation kinetics under combined uniaxial and bending deformation, and themore » interaction between material and structural instabilities. In all experiments, stereo digital image correlation measured local displacement fields in order to capture phenomena such as strain localization and propagating phase boundaries. Superelastic mechanical behavior and the nature of stress-induced phase transformation were found to be strongly affected by specimen geometry and the deformation mode. Under uniaxial tension, both the rod and tube had well-defined loading and unloading plateaus in their superelastic responses, during which stress-induced phase transformation propagated along the length of the specimen in the form of a high/low strain front. Due to the dependence of strain localization on kinematic compatibility, the high/low strain front morphologies differed between the rod and tube: for the rod, the high/low strain front consisted of a diffuse “neck”, while the high/low strain front in the tube consisted of distinct, criss-crossing “fingers.” During uniaxial compression, both cross-sectional forms exhibited higher transformation stresses and smaller transformation strains than uniaxial tension, highlighting the now well-known tension-compression asymmetry of SMAs. Additionally, phase transformation localization and propagation were absent under compressive loading. During pure bending, the moment-curvature response of both forms exhibited plateaus and strain localization during forward and reverse transformations. Rod specimens developed localized, high-curvature regions that propagated along the specimen axis and caused shear strain near the high/low curvature interface; whereas, the tube specimens exhibited finger/wedge-like high strain regions over the tensile side of the tube which caused nonlinear strain profiles through the thickness of the specimen that did not propagate. Here, it was therefore found that classical beam theory assumptions did not hold in the presence of phase transformation localization (although, the assumptions did hold on average for the tube). During column buckling, the structures were loaded into the post-buckling regime yet recovered nearly-straight forms upon unloading. Strain localization was observed only for high aspect ratio (slender) tubes, but the mechanical responses were similar to that of rods of the same slenderness ratio. Also, an interesting “unbuckling” phenomenon was discovered in certain low aspect ratio (stout) columns, where late post-buckling straightening was observed despite continuous monotonic loading. Thus, these behaviors are some of the challenging phenomena which must be captured when developing SMA constitutive models and executing structural simulations.« less

Study on the Microstructure and Liquid Phase Formation in a Semisolid Gray Cast Iron

NASA Astrophysics Data System (ADS)

Benati, Davi Munhoz; Ito, Kazuhiro; Kohama, Kazuyuki; Yamamoto, Hajime; Zoqui, Eugenio José

2017-10-01

The development of high-quality semisolid raw materials requires an understanding of the phase transformations that occur as the material is heated up to the semisolid state, i.e., its melting behavior. The microstructure of the material plays a very important role during semisolid processing as it determines the flow behavior of the material when it is formed, making a thorough understanding of the microstructural evolution essential. In this study, the phase transformations and microstructural evolution in Fe2.5C1.5Si gray cast iron specially designed for thixoforming processes as it was heated to the semisolid state were observed using in situ high-temperature confocal laser scanning microscopy. At room temperature, the alloy has a matrix of pearlite and ferrite with fine interdendritic type D flake graphite. During heating, the main transformations observed were graphite precipitation inside the grains and at the austenite grain boundaries; graphite flakes and graphite precipitates growing and becoming coarser with the increasing temperature; and the beginning of melting at around 1413 K to 1423 K (1140 °C to 1150 °C). Melting begins with the eutectic phase ( i.e., the carbon-rich phase) and continues with the primary phase (primary austenite), which is consumed as the temperature increases. Melting of the eutectic phase composed by coarsened interdendritic graphite flakes produced a semi-continuous liquid network homogeneously surrounding and wetting the dendrites of the solid phase, causing grains to detach from each other and producing the intended solid globules immersed in liquid.

Current limiting behavior in three-phase transformer-type SFCLs using an iron core according to variety of fault

NASA Astrophysics Data System (ADS)

Cho, Yong-Sun; Jung, Byung-Ik; Ha, Kyoung-Hun; Choi, Soo-Geun; Park, Hyoung-Min; Choi, Hyo-Sang

To apply the superconducting fault current limiter (SFCL) to the power system, the reliability of the fault-current-limiting operation must be ensured in diverse fault conditions. The SFCL must also be linked to the operation of the high-speed recloser in the power system. In this study, a three-phase transformer-type SFCL, which has a neutral line to improve the simultaneous quench characteristics of superconducting elements, was manufactured to analyze the fault-current-limiting characteristic according to the single, double, and triple line-to-ground faults. The transformer-type SFCL, wherein three-phase windings are connected to one iron core, reduced the burden on the superconducting element as the superconducting element on the sound phase was also quenched in the case of the single line-to-ground fault. In the case of double or triple line-to-ground faults, the flux from the faulted phase winding was interlinked with other faulted or sound phase windings, and the fault-current-limiting rate decreased because the windings of three phases were inductively connected by one iron core.

Deliquescence behavior of photo-irradiated single NaNO3 droplets

NASA Astrophysics Data System (ADS)

Seng, Samantha; Guo, Fangqin; Tobon, Yeny A.; Ishikawa, Tomoki; Moreau, Myriam; Ishizaka, Shoji; Sobanska, Sophie

2018-06-01

Nitrate-containing particles are ubiquitous in the troposphere because of their secondary production due to anthropogenic emissions of NOx from the combustion of fossil fuels. Nitrate ions are recognized as photoactive species that may contribute to the formation of oxidants in the atmosphere through heterogeneous photochemical reactions. The chemical transformation of aerosol particles in the atmosphere often leads to modification of the particles' hygroscopic properties. Although the photo-transformation of nitrate ions into nitrite within aerosol particles has been investigated, the influence of the photoproducts formation on the hygroscopic behavior of particles has not been reported. In this study, we examined the hygroscopic properties of single, ultraviolet-irradiated NaNO3 droplets using Raman microspectrometry. We are the first demonstrated that irradiating NaNO3 particles affects their hygroscopic behavior. For short-term exposures, regarding hygroscopic behavior, the irradiated particles exhibited two-stage transitions that were clearly reproduced in the experimental NaNO3-NaNO2 phase diagram. The production of NO2- decreased the deliquescence relative humidity values. For long irradiation times (>5 h), these values are even more affected by the additional production of peroxynitrite and carbonate ions in individual droplets. The NaNO3-NaNO2 deliquescence phase diagram cannot explain the hygroscopic behavior of long-term irradiated particles. Finally, we demonstrated the influence that CO2 has on the photo-transformation process in NaNO3 droplets.

Relationships between molecular structure and kinetic and thermodynamic controls in lipid systems. Part II: Phase behavior and transformation paths of SSS, PSS and PPS saturated triacylglycerols--effect of chain length mismatch.

PubMed

Bouzidi, Laziz; Narine, Suresh S

2012-01-01

The kinetic phase behavior and phase transformation paths of purified tristearoylglycerol (SSS), 3-palmitoyl-1,2-distearoyl-sn-glycerol (PSS) and 1,2-dipalmitoyl-3-stearoyl-sn-glycerol (PPS) were investigated in terms of polymorphism, crystallization and melting. The details of the phase transformation paths were obtained using the heating cycles of two sets of experiments: (a) cooling rate was varied and heating rate fixed and (b) cooling rate was fixed and heating rate varied. Kinetic effects were manifest in all measured properties, underscoring the complexity of the phase transformation paths for each TAG, and the intricate thermodynamics-molecular relationships. For the first time, XRD data obtained for SSS, PSS and PPS TAGs, cooled at rates higher than 0.5°C/min, suggested the formation of a transient structure similar to the so-called α(2)-phase which has been observed in mixed saturated-unsaturated TAGs quenched from the melt. The more stable phases (β' in PSS and PPS, and β in SSS) were only observed for cooling rates lower than 1.0°C/min. The kinetic and thermodynamic differences observed in the crystallization, structure and melting of SSS, PSS and PPS are proposed to be mainly due to the disturbances introduced at the "terrace" level via methyl-end group interactions, i.e., the missing of two or four CH(2) groups compared to SSS. The symmetrical SSS with a relatively flat "terrace" crystallizes preferably in the most stable β-form. Two missing CH(2) groups at the sn-1 position (PSS) introduces enough structural disturbances to promote the relative prevalence and persistence of the β'-phase, and four missing CH(2) groups at the sn-1 and sn-2 positions (PPS) is relatively too large of a disturbance and therefore favors the α-form. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Research opportunities in salt hydrates for thermal energy storage

NASA Astrophysics Data System (ADS)

Braunstein, J.

1983-11-01

The state of the art of salt hydrates as phase change materials for low temperature thermal energy storage is reviewed. Phase equilibria, nucleation behavior and melting kinetics of the commonly used hydrate are summarized. The development of efficient, reliable inexpensive systems based on phase change materials, especially salt hydrates for the storage (and retrieval) of thermal energy for residential heating is outlined. The use of phase change material thermal energy storage systems is not yet widespread. Additional basic research is needed in the areas of crystallization and melting kinetics, prediction of phase behavior in ternary systems, thermal diffusion in salt hydrate systems, and in the physical properties pertinent to nonequilibrium and equilibrium transformations in these systems.

Role of Exposure Atmospheres on Particle Coarsening and Phase Transformation of LiAlO 2

DOE PAGES

Heo, Su Jeong; Hu, Boxun; Uddin, Md Aman; ...

2017-05-05

The phase transformation and particle coarsening of lithium aluminate (α-LiAlO 2) in electrolyte are the major causes of degradation affecting the performance and the lifetime of the molten carbonate fuel cell (MCFC). The stability of LiAlO 2 has been studied in Li 2CO 3-Na 2CO 3 electrolyte under accelerated conditions in reducing and oxidizing gas atmospheres at temperatures of 650 and 750 for up to 500 hours. X-ray diffraction analyses show that the progressive transformation of α-LiAlO 2 to γ-LiAlO 2 phase proceeds with increasing temperature in lower P CO2 and lower P O2 environments. Spherical LiAlO 2 particles weremore » transformed to coarsened pyramid-shape particles in 4% H 2-3% H 2O-N 2 and 100% N 2 (~10 ppm P O2 ) atmospheres. Under CO 2-rich atmospheres (4% H 2-30% CO 2-N 2 and 70% air-30% CO 2), both phase and particle size remained unchanged at 650 and 750ºC. The selected area electron diffraction (SAED) pattern analysis indicated that the large pyramidal shape particles (~30 μm) were γ-LiAlO 2 phase. Experimental observations and related simulation results pertaining to particle coarsening and phase transformation behavior of LiAlO 2 are presented.« less

Hydrostatic, uniaxial, and triaxial compression tests on unpoled "Chem-prep" PZT 95/5-2Nb ceramic within temperature range of -55 to 75 degrees C.

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

Zeuch, David Henry; Montgomery, Stephen Tedford; Lee, Moo Yul

Sandia is currently developing a lead-zirconate-titanate ceramic 95/5-2Nb (or PNZT) from chemically prepared ('chem-prep') precursor powders. Previous PNZT ceramic was fabricated from the powders prepared using a 'mixed-oxide' process. The specimens of unpoled PNZT ceramic from batch HF803 were tested under hydrostatic, uniaxial, and constant stress difference loading conditions within the temperature range of -55 to 75 C and pressures to 500 MPa. The objective of this experimental study was to obtain mechanical properties and phase relationships so that the grain-scale modeling effort can develop and test its models and codes using realistic parameters. The stress-strain behavior of 'chem-prep' PNZTmore » under different loading paths was found to be similar to that of 'mixed-oxide' PNZT. The phase transformation from ferroelectric to antiferroelectric occurs in unpoled ceramic with abrupt increase in volumetric strain of about 0.7 % when the maximum compressive stress, regardless of loading paths, equals the hydrostatic pressure at which the transformation otherwise takes place. The stress-volumetric strain relationship of the ceramic undergoing a phase transformation was analyzed quantitatively using a linear regression analysis. The pressure (P{sub T1}{sup H}) required for the onset of phase transformation with respect to temperature is represented by the best-fit line, P{sub T1}{sup H} (MPa) = 227 + 0.76 T (C). We also confirmed that increasing shear stress lowers the mean stress and the volumetric strain required to trigger phase transformation. At the lower bound (-55 C) of the tested temperature range, the phase transformation is permanent and irreversible. However, at the upper bound (75 C), the phase transformation is completely reversible as the stress causing phase transformation is removed.« less

Characterization of the Solid-Phase Behavior of n-Nonylammonium Tetrachlorocuprate by Fourier Transform Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Ning, Guo

1995-06-01

The solid-phase behavior of [n-C9H19NH3]2CuCl4 was investigated by infrared spectroscopy. The nature of the three solid phases (phase I, phase II, and phase III) is discussed. A temperature-dependent study of infrared spectra provides evidence for the occurrence of structural phase transitions related to the dynamics of the alkyl chains and -NH3 polar heads. The phase transition at Tc1 (22°C) arises from variation in the interaction and packing structure of the chain. The phase transition at Tc2 (34°C) is related to variation in partial conformational order-disorder at the intramolecular level. The GTG or GTG‧ and small concentration of TG structures near the CH3 group are generated in phase III (above 38°C).

The behavior of commensurate-incommensurate transitions using the phase field crystal model

NASA Astrophysics Data System (ADS)

Zhang, Tinghui; Lu, Yanli; Chen, Zheng

2018-02-01

We study the behavior of the commensurate-incommensurate (CI) transitions by using a phase field crystal model. The model is capable of modeling both elastic and plastic deformation and can simulate the evolution of the microstructure of the material at the atomic scale and the diffusive time scale, such as for adsorbed monolayer. Specifically, we study the behavior of the CI transitions as a function of lattice mismatch and the amplitude of substrate pinning potential. The behavior of CI phase transitions is revealed with the increase of the amplitude of pinning potential in some certain lattice mismatches. We find that for the negative lattice mismatch absorbed monolayer undergoes division, reorganization and displacement as increasing the amplitude of substrate pinning potential. In addition, for the positive mismatch absorbed monolayer undergoes a progress of phase transformation after a complete grain is split. Our results accord with simulations for atomic models of absorbed monolayer on a substrate surface.

Magnetic Properties and Phase Diagram of Ni50Mn_{50-x}Ga_{x/2}In_{x/2} Magnetic Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Xu, Xiao; Yoshida, Yasuki; Omori, Toshihiro; Kanomata, Takeshi; Kainuma, Ryosuke

2016-12-01

Ni50Mn50- x Ga x/2In x/2 magnetic shape memory alloys were systematically prepared, and the magnetic properties as well as the phase diagram, including atomic ordering, martensitic and magnetic transitions, were investigated. The B2- L21 order-disorder transformation showed a parabolic-like curve against the Ga+In composition. The martensitic transformation temperature was found to decrease with increasing Ga+In composition and to slightly bend downwards below the Curie temperature of the parent phase. Spontaneous magnetization was investigated for both parent and martensite alloys. The magnetism of martensite phase was found to show glassy magnetic behaviors by thermomagnetization and AC susceptibility measurements.

Phase transitions in samarium at high pressures

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

Dong, W.Y.; Lin, T.H.; Dunn, K.J.

1987-01-15

The electrical behavior of Sm was studied for pressures up to 43 GPa and temperatures from 430 down to 2 K. The two Neel temperatures at ambient pressure are found to move toward each other as the pressure increases and finally merge into one at the dhcp phase. At room temperature, we found that Sm transforms to a new phase, presumably fcc, at about 12 GPa. The phase line between the dhcp and the new phase appears to tie with the cusp of the bcc phase line.

Dependence on sphere size of the phase behavior of mixtures of rods and spheres

NASA Astrophysics Data System (ADS)

Urakami, Naohito; Imai, Masayuki

2003-07-01

By the addition of chondroitin sulfate (Chs) to the aqueous suspension of tobacco mosaic virus (TMV), the aggregation of TMV occurs at very dilute TMV concentration compared with the addition of polyethylene oxide (PEO). The difference of physical behavior between Chs and PEO is the chain conformation in solution. The Chs chain has a semirigid nature, whereas the PEO chain has a flexible nature. In this study, the Chs and PEO chains are simplified to spherical particles having different size, and we use the spherocylinder model for TMV particle. The effect of the sphere size on the phase behaviors in the mixtures of rods and spheres is investigated by Monte Carlo simulations. By the addition of small spheres, the system transforms from the miscible isotropic phase to the miscible nematic phase. On the other hand, by the addition of large spheres, the system changes from the miscible isotropic phase to the immiscible nematic phase through the immiscible isotropic phase. The different phase behaviors between the small and the large spheres originate from the difference of overlapping volume of the depletion zone. In addition, we perform the Monte Carlo simulations in the case that semirigid chains are used as the Chs chain models. The same phase behaviors are observed as the mixtures of rods and large spheres. Thus the sphere model captures the phase behaviors of rod and polymer mixture systems.

Transformation behavior of Ni-Mn-Ga in the low-temperature limit.

PubMed

Pérez-Landazábal, J I; Recarte, V; Sánchez-Alarcos, V; Chernenko, V A; Barandiarán, J M; Lázpita, P; Rodriguez Fernández, J; Righi, L

2012-07-11

The magnetic, magnetocaloric and thermal characteristics have been studied in a Ni(50.3)Mn(20.8)Ga(27.6)V(1.3) ferromagnetic shape memory alloy (FSMA) transforming martensitically at around 40 K. The alloy shows first a transformation from austenite to an intermediate phase and then a partial transformation to an orthorhombic martensite, all the phases being ferromagnetically ordered. The thermomagnetization dependences enabled observation of the magnetocaloric effect in the vicinity of the martensitic transformation (MT). The Debye temperature and the density of states at the Fermi level are equal to θ(D) = (276 ± 4) K and 1.3 states/atom eV , respectively, and scarcely dependent on the magnetic field. The MT exhibited by Ni-Mn-Ga FSMAs at very low temperatures is distinctive in the sense that it is accompanied by a hardly detectable entropy change as a sign of a small driving force. The enhanced stability of the cubic phase and the low driving force of the MT stem from the reduced density of states near the Fermi level.

Learning a force field for the martensitic phase transformation in Zr

NASA Astrophysics Data System (ADS)

Zong, Hongxiang; Pilania, Ghanshyam; Ramprasad, Rampi; Lookman, Turab

Atomic simulations provide an effective means to understand the underlying physics of martensitic transformations under extreme conditions. However, this is still a challenge for certain phase transforming metals due to the lack of an accurate classical force field. Quantum molecular dynamics (QMD) simulations are accurate but expensive. During the course of QMD simulations, similar configurations are constantly visited and revisited. Machine Learning can effectively learn from past visits and, therefore, eliminate such redundancies. In this talk, we will discuss the development of a hybrid ML-QMD method in which on-demand, on-the-fly quantum mechanical (QM) calculations are performed to accelerate calculations of interatomic forces at much lower computational costs. Using Zirconium as a model system for which accurate atomisctic potentials are currently unvailable we will demonstrate the feasibility and effectiveness of our approach. Specifically, the computed structural phase transformation behavior within the ML-QMD approach will be compared with available experimental results. Furthermore, results on phonons, stacking fault energies, and activation barriers for the homogeneous martensitic transformation in Zr will be presented.

High-pressure transformation in the cobalt spinel ferrites

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

Blasco, J., E-mail: jbc@posta.unizar.es; Subías, G.; García, J.

2015-01-15

We report high pressure angle-dispersive x-ray diffraction measurements on Co{sub x}Fe{sub 3−x}O{sub 4} (x=1, 1.5, 1.75) spinels at room temperature up to 34 GPa. The three samples show a similar structural phase transformation from the cubic spinel structure to an analogous post-spinel phase at around 20 GPa. Spinel and post-spinel phases coexist in a wide pressure range (∼20–25 GPa) and the transformation is irreversible. The equation of state of the three cubic spinel ferrites was determined and our results agree with the data obtained in related oxide spinels showing the role of the pressure-transmitting medium for the accurate determination ofmore » the equation of state. Measurements releasing pressure revealed that the post-spinel phase is stable down to 4 GPa when it decomposes yielding a new phase with poor crystallinity. Later compression does not recover either the spinel or the post-spinel phases. This phase transformation induced by pressure explains the irreversible lost of the ferrimagnetic behavior reported in these spinels. - Graphical abstract: Pressure dependence of the unit cell volume per formula unit for Co{sub 1.5}Fe{sub 1.5}O{sub 4} spinel. Circles and squares stand for spinel and postspinel phases, respectively. Dark (open) symbols: determination upon compression (decompression). - Highlights: • The pressure induces similar phase transformation in Co{sub 3−x}Fe{sub x}O{sub 4} spinels (1≤x≤2). • The postspinel phases decompose after releasing pressure. • The irreversibility of this phase transformation explains the disappearance of magnetism in these spinels after applying pressure. • Accurate equation of state can be obtained up to 10 GPa using an alcohol mixture as pressure transmitting medium. • The equation of state suggests similar elastic properties for these spinels in this composition range.« less

Water in Inhomogeneous Nanoconfinement: Coexistence of Multilayered Liquid and Transition to Ice Nanoribbons.

PubMed

Qiu, Hu; Zeng, Xiao Cheng; Guo, Wanlin

2015-10-27

Phase behavior and the associated phase transition of water within inhomogeneous nanoconfinement are investigated using molecular dynamics simulations. The nanoconfinement is constructed by a flat bottom plate and a convex top plate. At 300 K, the confined water can be viewed as a coexistence of monolayer, bilayer, and trilayer liquid domains to accommodate the inhomogeneous confinement. With increasing liquid density, the confined water with uneven layers transforms separately into two-dimensional ice crystals with unchanged layer number and rhombic in-plane symmetry for oxygen atoms. The monolayer water undergoes the transition first into a puckered ice nanoribbon, and the bilayer water transforms into a rhombic ice nanoribbon next, followed by the transition of trilayer water into a trilayer ice nanoribbon. The sequential localized liquid-to-solid transition within the inhomogeneous confinement can also be achieved by gradually decreasing the temperature at low liquid densities. These findings of phase behaviors of water under the inhomogeneous nanoconfinement not only extend the phase diagram of confined water but also have implications for realistic nanofluidic systems and microporous materials.

Stable and Metastable InGaAs/GaAs Island Shapes and Surfactant-like Suppression of the Wetting Transformation

NASA Technical Reports Server (NTRS)

Leon, R.; Lobo, C.; Zou, J.; Romeo, T.; Cockayne, D. J. H.

1998-01-01

Diverging behaviors are observed in the InGaAs/GaAs Stranski-Krastanow (S-K) island formation during vapor phase epitaxy: varying group V partial pressures gives different critical thicknesses for the onset of the S-K transformation, island surface coverages, ratios between coherent and incoherent islands, and dissimilar morphologies upon annealing.

Engineering the Transformation Strain in LiMn y Fe 1–y PO 4 Olivines for Ultrahigh Rate Battery Cathodes

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

Ravnsbæk, Dorthe B.; Xiang, Kai; Xing, Wenting

2016-04-13

Alkali ion intercalation compounds used as battery electrodes often exhibit first-order phase transitions during electro-chemical cycling, accompanied by significant transformation strains. Despite 30 years of research into the behavior of such compounds, the relationship between transformation strain and electrode performance, especially the rate at which working ions (e.g., Li) can be intercalated and deintercalated, is still absent. In this work, we use the LiMn yFe 1-yPO 4 system for a systematic study, and measure using operando synchrotron radiation powder X-ray diffraction (SR-PXD) the dynamic strain behavior as a function of the Mn content (y) in powders of similar to 50more » nm average diameter. The dynamically produced strain deviates significantly from what is expected from the equilibrium phase diagrams and demonstrates metastability but nonetheless spans a wide range from 0 to 8 vol % with y. For the first time, we show that the discharge capacity at high C-rates (20-50C rate) varies in inverse proportion to the transformation strain, implying that engineering electrode materials for reduced strain can be used to maximize the power capability of batteries.« less

Organotins' fate in lagoon sewage system: dealkylation and sludge sorption/desorption.

PubMed

Ophithakorn, Thiwari; Sabah, Aboubakr; Delalonde, Michele; Bancon-Montigny, Chrystelle; Suksaroj, Thunwadee Tachapattaworakul; Wisniewski, Christelle

2016-11-01

Organotin compounds (OTs) have been widely used for their biocidal properties and as stabilizers in various industrial applications. Due to their high toxicity, organotins are subject to many studies regarding their behavior in wastewater treatment plant and aquatic environment. However, few studies are available regarding their behavior in lagoon sewage system, although such treatment is commonly used for sewage treatment in low-population areas. The present study aimed at studying the fate of organotins (monobutyltin (MBT), dibutyltin (DBT), and tributyltin (TBT)) in lagoon sewage system. Short-term experiments, carried out at lab scale, consisted in sampling sludge from aerobic stabilization ponds, and then quantifying sorption and desorption of the different organotin species, as well as their respective transformation, under defined operating conditions (e.g., tributyltin spike and dilution) simulating possible change in the surrounding environment of sludge in the lagoon. Results established that a very important percentage of the OTs was localized in the solid phase of the sludge (more than 98 %), whatever the operating conditions may be; however, transformation and locations of the three OT species differed according to the different conditions of sludge dilution, TBT spiking, and test duration. After dilution of lagoon sludge, TBT desorption from sludge was observed; it was supposed that dealkylation of TBT after desorption occurred rapidly and increased dissolved MBT and DBT in liquid phase; MBT sorbed subsequently on solid phase. The nature of the diluent (i.e., tap water or saline solution) appeared to slightly influence the sludge behavior. After TBT spiking, TBT was supposed to be rapidly sorbed but also transformed in DBT and MBT that would as well sorbed on the sludge, which explained the decrease of these species in the liquid phase. Tests aimed at studying long-term effect of TBT spiking demonstrated that the sorbed species could be remobilized and transformed after a dilution.

Effect of microstructure on the stability of retained austenite in transformation-induced-plasticity steels

NASA Astrophysics Data System (ADS)

Timokhina, I. B.; Hodgson, P. D.; Pereloma, E. V.

2004-08-01

Two Fe-0.2C-1.55Mn-1.5Si (in wt pct) steels, with and without the addition of 0.039Nb (in wt pct), were studied using laboratory rolling-mill simulations of controlled thermomechanical processing. The microstructures of all samples were characterized by optical metallography, X-ray diffraction (XRD), and transmission electron microscopy (TEM). The microstructural behavior of phases under applied strain was studied using a heat-tinting technique. Despite the similarity in the microstructures of the two steels (equal amounts of polygonal ferrite, carbide-free bainite, and retained austenite), the mechanical properties were different. The mechanical properties of these transformation-induced-plasticity (TRIP) steels depended not only on the individual behavior of all these phases, but also on the interaction between the phases during deformation. The polygonal ferrite and bainite of the C-Mn-Si steel contributed to the elongation more than these phases in the C-Mn-Si-Nb-steel. The stability of retained austenite depends on its location within the microstructure, the morphology of the bainite, and its interaction with other phases during straining. Granular bainite was the bainite morphology that provided the optimum stability of the retained austenite.

Structure and bulk modulus of Ln-doped UO2 (Ln = La, Nd) at high pressure

NASA Astrophysics Data System (ADS)

Rittman, Dylan R.; Park, Sulgiye; Tracy, Cameron L.; Zhang, Lei; Palomares, Raul I.; Lang, Maik; Navrotsky, Alexandra; Mao, Wendy L.; Ewing, Rodney C.

2017-07-01

The structure of lanthanide-doped uranium dioxide, LnxU1-xO2-0.5x+y (Ln = La, Nd), was investigated at pressures up to ∼50-55 GPa. Samples were synthesized with different lanthanides at different concentrations (x ∼ 0.2 and 0.5), and all were slightly hyperstoichiometric (y ∼ 0.25-0.4). In situ high-pressure synchrotron X-ray diffraction was used to investigate their high-pressure phase behavior and determine their bulk moduli. All samples underwent a fluorite-to-cotunnite phase transformation with increasing pressure. The pressure of the phase transformation increased with increasing hyperstoichiometry, which is consistent with results from previous computational simulations. Bulk moduli are inversely proportional to both the ionic radius of the lanthanide and its concentration, as quantified using a weighted cationic radius ratio. This trend was found to be consistent with the behavior of other elastic properties measured for Ln-doped UO2, such as Young's modulus.

Structure and bulk modulus of Ln-doped UO 2 (Ln = La, Nd) at high pressure

DOE PAGES

Rittman, Dylan R.; Park, Sulgiye; Tracy, Cameron L.; ...

2017-04-10

The structure of lanthanide-doped uranium dioxide, Ln xU 1-xO 2-0.5x+y (Ln = La, Nd), was investigated at pressures up to ~50–55 GPa. Samples were synthesized with different lanthanides at different concentrations (x ~ 0.2 and 0.5), and all were slightly hyperstoichiometric (y ~ 0.25–0.4). In situ high-pressure synchrotron X-ray diffraction was used to investigate their high-pressure phase behavior and determine their bulk moduli. All samples underwent a fluorite-to-cotunnite phase transformation with increasing pressure. The pressure of the phase transformation increased with increasing hyperstoichiometry, which is consistent with results from previous computational simulations. Bulk moduli are inversely proportional to both themore » ionic radius of the lanthanide and its concentration, as quantified using a weighted cationic radius ratio. As a result, this trend was found to be consistent with the behavior of other elastic properties measured for Ln-doped UO 2, such as Young's modulus.« less

Mathematical model of phase transformations and elastoplastic stress in the water spray quenching of steel bars

NASA Astrophysics Data System (ADS)

Nagasaka, Y.; Brimacombe, J. K.; Hawbolt, E. B.; Samarasekera, I. V.; Hernandez-Morales, B.; Chidiac, S. E.

1993-04-01

A mathematical model, based on the finite-element technique and incorporating thermo-elasto-plastic behavior during the water spray quenching of steel, has been developed. In the model, the kinetics of diffusion-dependent phase transformation and martensitic transformation have been coupled with the transient heat flow to predict the microstructural evolution of the steel. Furthermore, an elasto-plastic constitutive relation has been applied to calculate internal stresses resulting from phase changes as well as temperature variation. The computer code has been verified for internal consistency with previously published results for pure iron bars. The model has been applied to the water spray quenching of two grades of steel bars, 1035 carbon and nickel-chromium alloyed steel; the calculated temperature, hardness, distortion, and residual stresses in the bars agreed well with experimental measurements. The results show that the phase changes occurring during this process affect the internal stresses significantly and must be included in the thermomechanical model.

Phase transformation changes in thermocycled nickel-titanium orthodontic wires.

PubMed

Berzins, David W; Roberts, Howard W

2010-07-01

In the oral environment, orthodontic wires will be subject to thermal fluctuations. The purpose of this study was to investigate the effect of thermocycling on nickel-titanium (NiTi) wire phase transformations. Straight segments from single 27 and 35 degrees C copper NiTi (Ormco), Sentalloy (GAC), and Nitinol Heat Activated (3M Unitek) archwires were sectioned into 5mm segments (n=20). A control group consisted of five randomly selected non-thermocycled segments. The remaining segments were thermocycled between 5 and 55 degrees C with five randomly selected segments analyzed with differential scanning calorimetry (DSC; -100<-->150 degrees C at 10 degrees C/min) after 1000, 5000, and 10,000 cycles. Thermal peaks were evaluated with results analyzed via ANOVA (alpha=0.05). Nitinol HA and Sentalloy did not demonstrate qualitative or quantitative phase transformation behavior differences. Significant differences were observed in some of the copper NiTi transformation temperatures, as well as the heating enthalpy with the 27 degrees C copper NiTi wires (p<0.05). Qualitatively, with increased thermocycling the extent of R-phase in the heating peaks decreased in the 35 degrees C copper NiTi, and an austenite to martensite peak shoulder developed during cooling in the 27 degrees C copper NiTi. Repeated temperature fluctuations may contribute to qualitative and quantitative phase transformation changes in some NiTi wires. Copyright 2010 Academy of Dental Materials. All rights reserved.

Shape Memory Micro- and Nanowire Libraries for the High-Throughput Investigation of Scaling Effects.

PubMed

Oellers, Tobias; König, Dennis; Kostka, Aleksander; Xie, Shenqie; Brugger, Jürgen; Ludwig, Alfred

2017-09-11

The scaling behavior of Ti-Ni-Cu shape memory thin-film micro- and nanowires of different geometry is investigated with respect to its influence on the martensitic transformation properties. Two processes for the high-throughput fabrication of Ti-Ni-Cu micro- to nanoscale thin film wire libraries and the subsequent investigation of the transformation properties are reported. The libraries are fabricated with compositional and geometrical (wire width) variations to investigate the influence of these parameters on the transformation properties. Interesting behaviors were observed: Phase transformation temperatures change in the range from 1 to 72 °C (austenite finish, (A f ), 13 to 66 °C (martensite start, M s ) and the thermal hysteresis from -3.5 to 20 K. It is shown that a vanishing hysteresis can be achieved for special combinations of sample geometry and composition.

Enhanced densification under shock compression in porous silicon

DOE PAGES

Lane, J. Matthew; Thompson, Aidan Patrick; Vogler, Tracy

2014-10-27

Under shock compression, most porous materials exhibit lower densities for a given pressure than that of a full-dense sample of the same material. However, some porous materials exhibit an anomalous, or enhanced, densification under shock compression. The mechanism driving this behavior was not completely determined. We present evidence from atomistic simulation that pure silicon belongs to this anomalous class of materials and demonstrate the associated mechanisms responsible for the effect in porous silicon. Atomistic response indicates that local shear strain in the neighborhood of collapsing pores catalyzes a local solid-solid phase transformation even when bulk pressures are below the thermodynamicmore » phase transformation pressure. This metastable, local, and partial, solid-solid phase transformation, which accounts for the enhanced densification in silicon, is driven by the local stress state near the void, not equilibrium thermodynamics. This mechanism may also explain the phenomenon in other covalently bonded materials.« less

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

Sypek, John T.; Yu, Hang; Dusoe, Keith J.

Shape memory materials have the ability to recover their original shape after a significant amount of deformation when they are subjected to certain stimuli, for instance, heat or magnetic fields. But, their performance is often limited by the energetics and geometry of the martensitic-austenitic phase transformation. We report a unique shape memory behavior in CaFe 2As 2, which exhibits superelasticity with over 13% recoverable strain, over 3 GPa yield strength, repeatable stress–strain response even at the micrometer scale, and cryogenic linear shape memory effects near 50 K. These properties are acheived through a reversible uni-axial phase transformation mechanism, the tetragonal/orthorhombic-to-collapsed-tetragonalmore » phase transformation. These results offer the possibility of developing cryogenic linear actuation technologies with a high precision and high actuation power per unit volume for deep space exploration, and more broadly, suggest a mechanistic path to a class of shape memory materials, ThCr 2Si 2-structured intermetallic compounds.« less

New transformations between crystalline and amorphous ice

NASA Technical Reports Server (NTRS)

Hemley, R. J.; Chen, L. C.; Mao, H. K.

1989-01-01

High-pressure optical and spectroscopic techniques were used to obtain directly the ice I(h) - hda-ice transformation in a diamond-anvil cell, and the stability of the amorphous form is examined as functions of pressure and temperature. It is demonstrated that hda-ice transforms abruptly at 4 GPa and 77 K to a crystalline phase close in structure to orientationally disordered ice-VII and to a more highly ordered, ice-VIII-like structure at higher temperatures. This is the first time that an amorphous solid is observed to convert to a crystalline solid at low temperatures by compression alone. Phase transitions of this type may be relevant on icy planetary satellites, and there may also be implications for the high-pressure behavior of silica.

Transformation behavior of the γU(Zr,Nb) phase under continuous cooling conditions

NASA Astrophysics Data System (ADS)

Komar Varela, C. L.; Gribaudo, L. M.; González, R. O.; Aricó, S. F.

2014-10-01

The selected alloy for designing a high-density monolithic-type nuclear fuel with U-Zr-Nb alloy as meat and Zry-4 as cladding, has to remain in the γU(Zr,Nb) phase during the whole fabrication process. Therefore, it is necessary to define a range of concentrations in which the γU(Zr,Nb) phase does not decompose under the process conditions. In this work, several U alloys with concentrations between 28.2-66.9 at.% Zr and 0-13.3 at.% Nb were fabricated to study the possible transformations of the γU(Zr,Nb) phase under different continuous cooling conditions. The results of the electrical resistivity vs temperature experiments are presented. For a cooling rate of 4 °C/min a linear regression was determined by fitting the starting decomposition temperature as a function of Nb concentration. Under these conditions, a concentration of 45.3 at.% Nb would be enough to avoid any transformation of the γU(Zr,Nb) phase. In experiments that involve higher cooling conditions, it has been determined that this concentration can be halved.

Shock loading and release behavior of silicon nitride

NASA Astrophysics Data System (ADS)

Kawai, N.; Tsuru, T.; Hidaka, N.; Liu, X.; Mashimo, T.

2017-01-01

Shock-reshock and shock-release experiments were performed on silicon nitride ceramics above and below its phase transition pressure. Experimental results clearly show the occurrence of elastic-plastic transition and phase transition during initial shock loading. The HEL and phase transition stress are determined as 11.6 and 34.5 GPa, respectively. Below the phase transition stress, the reshock profile consists of the single shock with short rise time, while the release profile shows the gradual release followed by rapid one. Above phase transition stress, reshock and release behavior varies with the initial shock stress. In the case of reshock and release from about 40 GPa, the reshock structure is considerably dispersed, while the release structure shows rapid release. In the reshock profile from about 50 GPa, the formation of the shock wave with the small ramped precursor is observed. And, the release response from same shocked condition shows initial gradual release and subsequent quite rapid one. These results would provide the information about how phase transformation kinetics effects on the reshock and release behavior.

High-resolution 2-D Bragg diffraction reveal heterogeneous domain transformation behavior in a bulk relaxor ferroelectric

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

Pramanick, Abhijit, E-mail: apramani@cityu.edu.hk; Stoica, Alexandru D.; An, Ke

2016-08-29

In-situ measurement of fine-structure of neutron Bragg diffraction peaks from a relaxor single-crystal using a time-of-flight instrument reveals highly heterogeneous mesoscale domain transformation behavior under applied electric fields. It is observed that only ∼25% of domains undergo reorientation or phase transition contributing to large average strains, while at least 40% remain invariant and exhibit microstrains. Such insights could be central for designing new relaxor materials with better performance and longevity. The current experimental technique can also be applied to resolve complex mesoscale phenomena in other functional materials.

High-resolution 2-D Bragg diffraction reveal heterogeneous domain transformation behavior in a bulk relaxor ferroelectric

DOE PAGES

Pramanick, Abhijit; Stoica, Alexandru D.; An, Ke

2016-09-02

In-situ measurement of fine-structure of neutron Bragg diffraction peaks from a relaxor single-crystal using a time-of-flight instrument reveals highly heterogeneous mesoscale domain transformation behavior under applied electric fields. We observed that only 25% of domains undergo reorienta- tion or phase transition contributing to large average strains, while at least 40% remain invariant and exhibit microstrains. Such insights could be central for designing new relaxor materials with better performance and longevity. The current experimental technique can also be applied to resolve com- plex mesoscale phenomena in other functional materials.

The effect of magnetic field on shape memory behavior in Heusler-type nickel(,2)manganese-gallium-based compounds

NASA Astrophysics Data System (ADS)

Jeong, Soon-Jong

2000-08-01

Shape memory alloys (SMAs) have excellent mechanical properties showing large stroke and high power density when used as actuators. In terms of response speed, however, conventional SMAs have a drawback due to the isothermal nature of the associated phase transformation. A new type of SMA, called ferromagnetic SMA, is considered to replace conventional SMAs and is hoped to overcome such a slow response drawback by changing driving mode of shape memory behaviors from thermal to magnetic. The new type of ferromagnetic SMAs is expected to exhibit not only a large displacement but also rapid response when magnetic field is applied and removed. There are three kinds of ferromagnetic SMAs and among them, Ni2MnGa-based compounds exhibit prominent shape memory effects and superelasticity. In this study, Ni2MnGa-based alloys were chosen and studied to characterize shape memory behavior upon the application and removal of magnetic field. The relevance of the magnetic field-induced shape memory behavior to the magnetization process was investigated by using transformation and/or the movement of martensite variant interfaces. Two mechanisms have been proposed for controlling magnetic field-induced shape memory behaviors. One mechanism is related to shape memory behavior associated with magnetic field-induced martensitic transformation. The other is related to the rearrangement of martensite variants by magnetic field application. Magnetic field-induced martensitic transformation and shape memory effects for single- and poly-crystalline Ni2MnGa alloys were investigated under various conditions. In single crystalline specimens, it was observed that considerable strain changes are a function of magnetic field at temperatures below Mf (martensite finish temperature). Such strain changes, by application and subsequent removal of magnetic field, may be attributed to the martensite variant motion at lower temperatures than Mf. Magnetic field application made a significant contribution to the martensite transformation and related strain changes (0.3%--0.82%) at temperatures above Af (austenite finish temperature) in some polycrystalline Ni2MnGa alloys, where austenite and martensite phases possess paramagnetic and ferromagnetic properties, respectively.

A uniaxial constitutive model for superelastic NiTi SMA including R-phase and martensite transformations and thermal effects

NASA Astrophysics Data System (ADS)

Helbert, Guillaume; Saint-Sulpice, Luc; Arbab Chirani, Shabnam; Dieng, Lamine; Lecompte, Thibaut; Calloch, Sylvain; Pilvin, Philippe

2017-02-01

The well-known martensitic transformation is not always the unique solid-solid phase change in NiTi shape memory alloys (SMA). For this material, R-phase can occur from both austenite and martensite. In some applications, macroscopic strain of the material can be limited to 2%. In these cases, R-phase contribution can not be neglected anymore when compared with martensite. Furthermore, different thermomechanical couplings have to be taken into account to carefully predict strain rate effects and to better describe application conditions. In this paper, a new model taking into account various phase transformations with thermomechanical couplings is presented. This model is based on several transformation criteria. In most applications, SMA are used as wires, submitted to tensile-tensile loadings, in the superelasticity working range. Consequently, a uniaxial reduction of the model is presented for its simplicity. A thermodynamic framework is proposed. It enables to describe the internal variables evolution laws. The simple and fast identification process of model parameters is briefly presented. To verify the validity of the proposed model, simulation results are compared with experimental ones. The influences of testing temperature and strain amplitude on the material behavior is discussed. The damping capacity is also studied, using an energy-based criterion.

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

Heo, Su Jeong; Hu, Boxun; Uddin, Md Aman

The phase transformation and particle coarsening of lithium aluminate (α-LiAlO 2) in electrolyte are the major causes of degradation affecting the performance and the lifetime of the molten carbonate fuel cell (MCFC). The stability of LiAlO 2 has been studied in Li 2CO 3-Na 2CO 3 electrolyte under accelerated conditions in reducing and oxidizing gas atmospheres at temperatures of 650 and 750 for up to 500 hours. X-ray diffraction analyses show that the progressive transformation of α-LiAlO 2 to γ-LiAlO 2 phase proceeds with increasing temperature in lower P CO2 and lower P O2 environments. Spherical LiAlO 2 particles weremore » transformed to coarsened pyramid-shape particles in 4% H 2-3% H 2O-N 2 and 100% N 2 (~10 ppm P O2 ) atmospheres. Under CO 2-rich atmospheres (4% H 2-30% CO 2-N 2 and 70% air-30% CO 2), both phase and particle size remained unchanged at 650 and 750ºC. The selected area electron diffraction (SAED) pattern analysis indicated that the large pyramidal shape particles (~30 μm) were γ-LiAlO 2 phase. Experimental observations and related simulation results pertaining to particle coarsening and phase transformation behavior of LiAlO 2 are presented.« less

Localizing sources of acoustic emission during the martensitic transformation

NASA Astrophysics Data System (ADS)

Niemann, R.; Kopeček, J.; Heczko, O.; Romberg, J.; Schultz, L.; Fähler, S.; Vives, E.; Mañosa, L.; Planes, A.

2014-06-01

Acoustic avalanches are a general feature of solids under stress, e.g., evoked by external compression or arising from internal processes like martensitic phase transformations. From integral measurements, it is usually concluded that nucleation, phase boundary pinning, or interface incompatibilities during this first-order phase transition all may generate acoustic emission. This paper studies the local sources of acoustic emission to enlight the microscopic mechanisms. From two-dimensional spatially resolved acoustic emission measurement and simultaneous optical observation of the surface, we can identify microstructural events at the phase boundary that lead to acoustic emission. A resolution in the 100-μm range was reached for the location of acoustic emission sources on a coarse-grained Ni-Mn-Ga polycrystal. Both, the acoustic activity and the size distribution of the microstructural transformation events, exhibit power-law behavior. The origin of the acoustic emission are elastically incompatible areas, such as differently oriented martensitic plates that meet each other, lamellae growing up to grain boundaries, and grain boundaries in proximity to transforming grains. Using this result, we propose a model to explain the decrease of the critical exponent under a mechanical stress or magnetic field.

Influence of stress and phase on corrosion of a superelastic nickel-titanium orthodontic wire.

PubMed

Segal, Nadav; Hell, Jess; Berzins, David W

2009-06-01

The purpose of this investigation was to study the effect of stress and phase transformation on the corrosion properties of a superelastic nickel-titanium orthodontic wire. The phase transformation profiles of superelastic nickel-titanium (Sentalloy, GAC International, Bohemia, NY) and beta-titanium (TMA, Ormco, Orange, Calif) archwires were analyzed by using differential scanning calorimetry. The force/deflection behavior of the wires at 37 degrees C was measured in a 3-point bending test per modified American Dental Association specification no. 32. Electrochemical testing consisted of monitoring the open circuit potential (OCP) for 2 hours followed by polarization resistance and cyclic polarization tests on archwire segments engaged in a 5-bracket simulation apparatus with bend deflections of 0.75, 1.5, or 3 mm in artificial saliva at 37 degrees C. Nondeflected segments were also tested. Sentalloy was additionally examined for bending and corrosion at 5 degrees C, where it exists as martensite and is devoid of stress-induced phase transformation. OCP at 2 hours and corrosion current density (i(corr)) were analyzed by using ANOVA and Tukey tests (alpha = .05) (n = 10 per deflection). Significant differences (P < 0.05) in OCP with deflection were found for the TMA and the Sentalloy wires at 5 degrees C, but not for Sentalloy at 37 degrees C. Significant differences (P < 0.05) in i(corr) with deflection were also observed. All 3 wire groups had their lowest mean i(corr) values when not deflected. The i(corr) for superelastic Sentalloy (37 degrees C) peaked at 0.75 mm deflection before the wire's stress-induced phase transformation point and then decreased with further deflection and transformation. The i(corr) values for TMA and Sentalloy at 5 degrees C, both of which do not undergo phase transformation with deformation, continuously increased from 0 to 1.5 mm deflection before decreasing at the 3.0-mm deflection. Stress increased the corrosion rate in nickel-titanium and beta-titanium orthodontic wires. Alterations in stress/strain associated with phase transformation in superelastic nickel-titanium might alter the corrosion rate in ways different from wires not undergoing phase transformation.

Adaptive synchrosqueezing based on a quilted short-time Fourier transform

NASA Astrophysics Data System (ADS)

Berrian, Alexander; Saito, Naoki

2017-08-01

In recent years, the synchrosqueezing transform (SST) has gained popularity as a method for the analysis of signals that can be broken down into multiple components determined by instantaneous amplitudes and phases. One such version of SST, based on the short-time Fourier transform (STFT), enables the sharpening of instantaneous frequency (IF) information derived from the STFT, as well as the separation of amplitude-phase components corresponding to distinct IF curves. However, this SST is limited by the time-frequency resolution of the underlying window function, and may not resolve signals exhibiting diverse time-frequency behaviors with sufficient accuracy. In this work, we develop a framework for an SST based on a "quilted" short-time Fourier transform (SST-QSTFT), which allows adaptation to signal behavior in separate time-frequency regions through the use of multiple windows. This motivates us to introduce a discrete reassignment frequency formula based on a finite difference of the phase spectrum, ensuring computational accuracy for a wider variety of windows. We develop a theoretical framework for the SST-QSTFT in both the continuous and the discrete settings, and describe an algorithm for the automatic selection of optimal windows depending on the region of interest. Using synthetic data, we demonstrate the superior numerical performance of SST-QSTFT relative to other SST methods in a noisy context. Finally, we apply SST-QSTFT to audio recordings of animal calls to demonstrate the potential of our method for the analysis of real bioacoustic signals.

Investigation of Ta-MX/Z-Phase and Laves Phase as Precipitation Hardening Particles in a 12 Pct Cr Heat-Resistant Steel

NASA Astrophysics Data System (ADS)

Sanhueza, J. P.; Rojas, D.; Prat, O.; García, J.; Meléndrez, M. F.; Suarez, S.

2018-07-01

A 12 pct Cr martensitic/ferritic steel was designed and produced to study Laves and Z-phase as precipitation hardening particles under creep conditions (650 °C). According to thermodynamic calculations, W and Cu additions were selected to ensure the precipitation of Laves after tempering. It is known that Z-phase formation does not follow the classical nucleation theory. Indeed, MX particles are transformed into Z-phase by Cr diffusion from the matrix to the precipitate. Therefore, to promote fast Z-phase formation, Ta, Co, and N additions were used to produce Ta-MX, which will be transformed into Z-phase. The main result achieved was the precipitation of Laves after tempering, with a particle size of 196 nm. As regards to Z-phase, the transformation of Ta-MX into Z-phase after tempering was confirmed by the formation of hybrid nanoparticles of 30 nm. Although W and Ta have a low diffusion in the martensitic/ferritic matrix, characterization of the precipitates after isothermal aging revealed that Laves and Z-phase have fast growth kinetics, reaching 400 and 143 nm, respectively, at 8760 hours. Consequently, creep test at 650 °C showed premature failures after few thousand hours. Therefore, it is expected that future research in the field of martensitic/ferritic steels will focus on the growth and coarsening behavior of Laves and Z-phase.

Investigation of Ta-MX/Z-Phase and Laves Phase as Precipitation Hardening Particles in a 12 Pct Cr Heat-Resistant Steel

NASA Astrophysics Data System (ADS)

Sanhueza, J. P.; Rojas, D.; Prat, O.; García, J.; Meléndrez, M. F.; Suarez, S.

2018-05-01

A 12 pct Cr martensitic/ferritic steel was designed and produced to study Laves and Z-phase as precipitation hardening particles under creep conditions (650 °C). According to thermodynamic calculations, W and Cu additions were selected to ensure the precipitation of Laves after tempering. It is known that Z-phase formation does not follow the classical nucleation theory. Indeed, MX particles are transformed into Z-phase by Cr diffusion from the matrix to the precipitate. Therefore, to promote fast Z-phase formation, Ta, Co, and N additions were used to produce Ta-MX, which will be transformed into Z-phase. The main result achieved was the precipitation of Laves after tempering, with a particle size of 196 nm. As regards to Z-phase, the transformation of Ta-MX into Z-phase after tempering was confirmed by the formation of hybrid nanoparticles of 30 nm. Although W and Ta have a low diffusion in the martensitic/ferritic matrix, characterization of the precipitates after isothermal aging revealed that Laves and Z-phase have fast growth kinetics, reaching 400 and 143 nm, respectively, at 8760 hours. Consequently, creep test at 650 °C showed premature failures after few thousand hours. Therefore, it is expected that future research in the field of martensitic/ferritic steels will focus on the growth and coarsening behavior of Laves and Z-phase.

Basilar-membrane responses to broadband noise modeled using linear filters with rational transfer functions.

PubMed

Recio-Spinoso, Alberto; Fan, Yun-Hui; Ruggero, Mario A

2011-05-01

Basilar-membrane responses to white Gaussian noise were recorded using laser velocimetry at basal sites of the chinchilla cochlea with characteristic frequencies near 10 kHz and first-order Wiener kernels were computed by cross correlation of the stimuli and the responses. The presence or absence of minimum-phase behavior was explored by fitting the kernels with discrete linear filters with rational transfer functions. Excellent fits to the kernels were obtained with filters with transfer functions including zeroes located outside the unit circle, implying nonminimum-phase behavior. These filters accurately predicted basilar-membrane responses to other noise stimuli presented at the same level as the stimulus for the kernel computation. Fits with all-pole and other minimum-phase discrete filters were inferior to fits with nonminimum-phase filters. Minimum-phase functions predicted from the amplitude functions of the Wiener kernels by Hilbert transforms were different from the measured phase curves. These results, which suggest that basilar-membrane responses do not have the minimum-phase property, challenge the validity of models of cochlear processing, which incorporate minimum-phase behavior. © 2011 IEEE

Phase transformation in (0.90- x)Pb(Mg 1/3Nb 2/3)O 3- xPbTiO 3-0.10PbZrO 3 piezoelectric ceramic: X-ray diffraction and Raman investigation

NASA Astrophysics Data System (ADS)

Xia, Zhiguo; Li, Qiang

2007-05-01

Piezoelectric ceramics with compositions of (0.90- x)Pb(Mg 1/3Nb 2/3)O 3- xPbTiO 3-0.10PbZrO 3, x=0.28, 0.31, 0.34, 0.37, 0.40 and 0.43, were prepared using the conventional columbite precursor method, and their structural phase transformation and piezoelectric behaviors near the morphotropic phase boundary (MPB) have been systematically investigated as a function of PbTiO 3 content. X-ray diffraction (XRD) results demonstrate that the structure of the ceramics experiences a gradual transition process from rhombohedral phase to tetragonal phase with the increasing of PbTiO 3 content, and that compositions with x=0.34-0.40 lie in the MPB region of this ternary system. A Raman spectra investigation of the ceramic samples testified to the transformation process of rhombohedral phase to tetragonal phase by comparing the relative intensities of tetragonal E(2TO 1) mode and rhombohedral phase R h mode. The structure information was also correlated to the parabola change of the piezoelectric constant; the maximum piezoelectric constants were obtained near the MPB region.

Phase Transformation Induced Self-Healing Behavior of Al-Ag Alloy.

PubMed

Michalcová, Alena; Marek, Ivo; Knaislová, Anna; Sofer, Zdeněk; Vojtěch, Dalibor

2018-01-27

Self-healing alloys are promising materials that can decrease the consequences of accidents. To detect crack formation in a material is simple task that can be performed by e.g., sonic or ultrasound detection, but it is not always possible to immediately replace the damaged parts. In this situation, it is very advantageous to have the chance to heal the crack during operation, which can be done e.g., by annealing. In this paper, self-healing behavior was proven by TEM (Transmission electron microscope) observation of crack healing after annealing. The crack was observed in the rapidly solidified Al-30Ag alloy with non-equilibrium phase composition formed by a minor amount of Ag₂Al and a supersaturated solid solution of Ag in an fcc-Al matrix (fcc = face centered cubic). After annealing at 450 °C, equilibrium phase composition was obtained by forming a higher amount of Ag₂Al. This phase transformation did not allow the crack to be healed. Subsequent annealing at 550 °C caused recrystallization to a supersaturated solid solution of Ag in fcc-Al, followed by a return to the mixture of fcc-Al and Ag₂Al by cooling, and this process was accompanied by the closing of the crack. This observation proved the self-healing possibilities of the Ag₂Al phase. Practical application of this self-healing behavior could be achieved through the dispersion of fine Ag₂Al particles in a structural material, which will enrich the material with self-healing properties.

Rapidly reversible redox transformation in nanophase manganese oxides at room temperature triggered by changes in hydration

PubMed Central

Birkner, Nancy; Navrotsky, Alexandra

2014-01-01

Chemisorption of water onto anhydrous nanophase manganese oxide surfaces promotes rapidly reversible redox phase changes as confirmed by calorimetry, X-ray diffraction, and titration for manganese average oxidation state. Surface reduction of bixbyite (Mn2O3) to hausmannite (Mn3O4) occurs in nanoparticles under conditions where no such reactions are seen or expected on grounds of bulk thermodynamics in coarse-grained materials. Additionally, transformation does not occur on nanosurfaces passivated by at least 2% coverage of what is likely an amorphous manganese oxide layer. The transformation is due to thermodynamic control arising from differences in surface energies of the two phases (Mn2O3 and Mn3O4) under wet and dry conditions. Such reversible and rapid transformation near room temperature may affect the behavior of manganese oxides in technological applications and in geologic and environmental settings. PMID:24733903

Rapidly reversible redox transformation in nanophase manganese oxides at room temperature triggered by changes in hydration.

PubMed

Birkner, Nancy; Navrotsky, Alexandra

2014-04-29

Chemisorption of water onto anhydrous nanophase manganese oxide surfaces promotes rapidly reversible redox phase changes as confirmed by calorimetry, X-ray diffraction, and titration for manganese average oxidation state. Surface reduction of bixbyite (Mn2O3) to hausmannite (Mn3O4) occurs in nanoparticles under conditions where no such reactions are seen or expected on grounds of bulk thermodynamics in coarse-grained materials. Additionally, transformation does not occur on nanosurfaces passivated by at least 2% coverage of what is likely an amorphous manganese oxide layer. The transformation is due to thermodynamic control arising from differences in surface energies of the two phases (Mn2O3 and Mn3O4) under wet and dry conditions. Such reversible and rapid transformation near room temperature may affect the behavior of manganese oxides in technological applications and in geologic and environmental settings.

Effect of Thermal Treatments on Ni-Mn-Ga and Ni-Rich Ni-Ti-Hf/Zr High-Temperature Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Santamarta, Ruben; Evirgen, Alper; Perez-Sierra, Aquilina M.; Pons, Jaume; Cesari, Eduard; Karaman, Ibrahim; Noebe, Ron D.

2015-11-01

Among all the promising high-temperature shape memory alloys (HTSMAs), the Ni-Mn-Ga and the Ni-Ti-Hf/Zr systems exhibit interesting shape memory and superelastic properties that may place them in a good position for potential applications. The present work shows that thermal treatments play a crucial role in controlling the martensitic phase transformation characteristics of both systems, but in different ways. On one hand, the equilibrium phase diagram of the Ni-Mn-Ga family allows selecting compositions with high transformation temperatures and outstanding thermal stability at relatively high temperatures in air, showing no significant changes in the transformation behavior for continuous aging up to ˜5 years at 500 °C. Moreover, the excellent thermal stability correlates with a good thermal cyclic stability and an exceptional oxidation resistance of the parent phase. On the other hand, precipitation processes controlled by thermal treatments are needed to manipulate the transformation temperatures, mechanical properties, and thermal stability of Ni-rich Ni-Ti-Hf/Zr alloys to become HTSMAs. These changes in the functional properties are a consequence of the competition between the mechanical and compositional effects of the precipitates on the martensitic transformation.

Study of the structure and dielectric relaxation behavior of Pb(Ni 1/3Nb 2/3)-PbTiO 3 ferroelectric ceramics

NASA Astrophysics Data System (ADS)

Lei, Chao; Chen, Kepi; Zhang, Xiaowen; Wang, Jun

2002-08-01

Relaxor-type ferroelectric ceramics, (1- x)Pb(Ni 1/3Nb 2/3)O 3- xPbTiO 3 ( x=0.28-0.42) were synthesized by the columbite precursor method. The phase structure and dielectric properties were investigated. X-ray diffraction results demonstrate that a region with both pseudocubic and tetragonal phase in existence lies in the composition range x=0.34-0.38, which is the morphotropic phase boundary (MPB). Examination of the dielectric behavior indicates that the ceramics exhibit abnormal high dielectric constant near the MPB composition. In addition, the transformation of (1- x)PNN- xPT from relaxor to normal ferroelectric behavior with the PT content increasing is successive.

Nanoscale phase transition behavior of shape memory alloys — closed form solution of 1D effective modelling

NASA Astrophysics Data System (ADS)

Li, M. P.; Sun, Q. P.

2018-01-01

We investigate the roles of grain size (lg) and grain boundary thickness (lb) on the stress-induced phase transition (PT) behaviors of nanocrystalline shape memory alloys (SMAs) by using a Core-shell type "crystallite-amorphous composite" model. A non-dimensionalized length scale lbarg(=lg /lb) is identified as the governing parameter which is indicative of the energy competition between the crystallite and the grain boundary. Closed form analytical solutions of a reduced effective 1D model with embedded microstructure length scales of lg and lb are presented in this paper. It is shown that, with lbarg reduction, the energy of the elastic non-transformable grain boundary will gradually become dominant in the phase transition process, and eventually bring fundamental changes of the deformation behaviors: breakdown of two-phase coexistence and vanishing of superelastic hysteresis. The predictions are supported by experimental data of nanocrystalline NiTi SMAs.

Constitutive modeling of the dynamic-tensile-extrusion test of PTFE

NASA Astrophysics Data System (ADS)

Resnyansky, A. D.; Brown, E. N.; Trujillo, C. P.; Gray, G. T.

2017-01-01

Use of polymers in defense, aerospace and industrial applications under extreme loading conditions makes prediction of the behavior of these materials very important. Crucial to this is knowledge of the physical damage response in association with phase transformations during loading and the ability to predict this via multi-phase simulation accounting for thermodynamical non-equilibrium and strain rate sensitivity. The current work analyzes Dynamic-Tensile-Extrusion (Dyn-Ten-Ext) experiments on polytetrafluoroethylene (PTFE). In particular, the phase transition during loading and subsequent tension are analyzed using a two-phase rate sensitive material model implemented in the CTH hydrocode. The calculations are compared with experimental high-speed photography. Deformation patterns and their link with changing loading modes are analyzed numerically and correlated to the test observations. It is concluded that the phase transformation is not as critical to the response of PTFE under Dyn-Ten-Ext loading as it is during the Taylor rod impact testing.

Transformation of fraud activities in procurement system in Indonesia

NASA Astrophysics Data System (ADS)

Setiani, N.; Huda, S. N.; Pulungan, R.; Winarko, E.

2017-03-01

E-procurement has been applied in Indonesia since 2008 through the adoption of Electronic Procurement System (SPSE). The purpose of the use of SPSE in the procurement process is to improve the efficiency of goods or services procurement. In the bidding process, intensive communication and data exchange between providers and organizers are urgently needed. Through SPSE, the frequency of face to face meetings between providers and the committee can be reduced. This is expected to minimize potential fraud behaviors in the goods or services procurement conducted through the tender process. There exists a transformation of activities in the procurement through SPSE from the tender process that was previously done manually. In this paper, we analyze this transformation between manual procurement process and SPSE-based procurement process. The result of the analysis is exploited for investigating the possibility of fraud behavior transformations in every phase of e-procurement activities.

[Thermal stability and transformation behaviors of Pb in Yima coal].

PubMed

Liu, Rui-qing; Wang, Jun-wei

2013-05-01

Occurrence forms of Pb in Yima (YM) coal, their thermal stability and transformation behaviors during coal pyrolysis were investigated. Chemical leaching method was used to characterize the forms of Pb in the raw coal and the chars. It was found that about 33% Pb in YM coal was bound to carbonates, sulfides, sulfates, phosphates and oxides, 29% to aluminosilicates, 27% to disulfide species, and 8% to organic species. It was also found that the organic bound Pb was the most releasable while the aluminosilicates bound Pb was the least releasable. The effect of minerals of different sort on Pb release was also studied. The result showed that carbonates, sulfides, sulfates, phosphates and oxides, aluminosilicates and disulfides in YM coal could restrain Pb release during coal pyrolysis. The transformation of different forms of Pb mainly occurred at above 500 degrees C with other forms of Pb transformed to the aluminosilicates form and volatile phase.

Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide

DOE PAGES

Whitfield, P. S.; Herron, N.; Guise, W. E.; ...

2016-10-21

Here, we examine the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI 3) using time-of-flight neutron and synchrotron X-ray powder diffraction. Near 330 K the high temperature cubic phases transformed to a body-centered tetragonal phase. The variation of the order parameter Q for this transition scaled with temperature T as Q (T c-T) , where T c is the critical temperature and the exponent was close to , as predicted for a tricritical phase transition. We also observed coexistence of the cubic and tetragonal phases over amore » range of temperature in all cases, demonstrating that the phase transition was in fact first-order, although still very close to tricritical. Upon cooling further, all the tetragonal phases transformed into a low temperature orthorhombic phase around 160 K, again via a first-order phase transition. Finally, based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI 3 based solar cells.« less

Study of thermomechanical treatment on mechanical-induced phase transformation of NiTi and TiNiCu wires.

PubMed

Seyyed Aghamiri, S M; Nili Ahmadabadi, M; Shahmir, H; Naghdi, F; Raygan, Sh

2013-05-01

The nickel-titanium shape memory alloys have been used in orthodontic application due to their unique properties like superelasticity and biocompatibility. The phase transformation behavior of these alloys can be changed by alloying elements and thermomechanical processing conditions. In this study, two types of NiTi and TiNiCu wires of 0.4mm diameter were produced via thermomechanical treatments with final step of 20% cold drawing followed by annealing at different temperatures of 300 and 400 °C for varying times of 10, 30 and 60 min. The processed wires were characterized by oral cavity configuration three point bending (OCTPB) test at 37 °C to specify the mechanical transformation features. Also, differential scanning calorimetry (DSC) was used to analyze the thermal transformation temperatures of selected wires. The results showed the thermomechanical treatment at 300 °C for 30 min was the suitable process in terms of superelasticity and transformation temperatures for orthodontic application. Copyright © 2013 Elsevier Ltd. All rights reserved.

Phase transformations induced by spherical indentation in ion-implanted amorphous silicon

NASA Astrophysics Data System (ADS)

Haberl, B.; Bradby, J. E.; Ruffell, S.; Williams, J. S.; Munroe, P.

2006-07-01

The deformation behavior of ion-implanted (unrelaxed) and annealed ion-implanted (relaxed) amorphous silicon (a-Si) under spherical indentation at room temperature has been investigated. It has been found that the mode of deformation depends critically on both the preparation of the amorphous film and the scale of the mechanical deformation. Ex situ measurements, such as Raman microspectroscopy and cross-sectional transmission electron microscopy, as well as in situ electrical measurements reveal the occurrence of phase transformations in all relaxed a-Si films. The preferred deformation mode of unrelaxed a-Si is plastic flow, only under certain high load conditions can this state of a-Si be forced to transform. In situ electrical measurements have revealed more detail of the transformation process during both loading and unloading. We have used ELASTICA simulations to obtain estimates of the depth of the metallic phase as a function of load, and good agreement is found with the experiment. On unloading, a clear change in electrical conductivity is observed to correlate with a "pop-out" event on load versus penetration curves.

Predicting mixture phase equilibria and critical behavior using the SAFT-VRX approach.

PubMed

Sun, Lixin; Zhao, Honggang; Kiselev, Sergei B; McCabe, Clare

2005-05-12

The SAFT-VRX equation of state combines the SAFT-VR equation with a crossover function that smoothly transforms the classical equation into a nonanalytical form close to the critical point. By a combinination of the accuracy of the SAFT-VR approach away from the critical region with the asymptotic scaling behavior seen at the critical point of real fluids, the SAFT-VRX equation can accurately describe the global fluid phase diagram. In previous work, we demonstrated that the SAFT-VRX equation very accurately describes the pvT and phase behavior of both nonassociating and associating pure fluids, with a minimum of fitting to experimental data. Here, we present a generalized SAFT-VRX equation of state for binary mixtures that is found to accurately predict the vapor-liquid equilibrium and pvT behavior of the systems studied. In particular, we examine binary mixtures of n-alkanes and carbon dioxide + n-alkanes. The SAFT-VRX equation accurately describes not only the gas-liquid critical locus for these systems but also the vapor-liquid equilibrium phase diagrams and thermal properties in single-phase regions.

Guest-Induced Switchable Breathing Behavior in a Flexible Metal-Organic Framework with Pronounced Negative Gas Pressure.

PubMed

Shi, Yi-Xiang; Li, Wu-Xiang; Zhang, Wen-Hua; Lang, Jian-Ping

2018-06-29

Flexible metal-organic frameworks (MOFs) have attracted great interest for their dynamically structural transformability in response to external stimuli. Herein, we report a switchable "breathing" or "gate-opening" behavior associated with the phase transformation between a narrow pore (np) and a large pore (lp) in a flexible pillared-layered MOF, denoted as MOF-1 as, which is also confirmed by SCXRD and PXRD. The desolvated phase (MOF-1 des) features a unique stepwise adsorption isotherm for N 2 coupled with a pronounced negative gas adsorption pressure. For comparison, however, no appreciable CO 2 adsorption and gate-opening phenomenon with stepwise sorption can be observed. Furthermore, the polar micropore walls decorated with thiophene groups in MOF-1 des reveals the selective sorption of toluene over benzene and p-xylene associated with self-structural adjustment in spite of the markedly similar physicochemical properties of these vapor molecules.

Effect of phase transformations on microstructures in deep mantle materials

NASA Astrophysics Data System (ADS)

Merkel, Sébastien; Langrand, Christopher; Rosa, Angelika; Hilairet, Nadège

2017-04-01

Phase transformations induce microstructural changes in deep Earth materials, including changes in grain size and orientation distribution. The effect of phase transformations on mineral microstructures is usually studied using electron microscopy on quench products from high P/T experiments. The method allows for a precise evaluation of the microscopic mechanisms involved. It is limited, however, to samples that can be quenched to ambient conditions and allows for investigations at a single P/T point for each experiment. In recent years, we extended the use of multigrain crystallography to samples inside diamond anvil cells under mantle P/T conditions. The method allows for monitoring the orientations of hundreds of grains and grain size variations during various physical processes, such as plastic deformation and successions of phase transformations (Rosa et al 2015, Langrand et al 2017). Here, we will show results concerning hydrous Mg2SiO4 during the series of α-β-γ phase transformations up to 40 GPa and 850 °C. Such results are important to understand the descending behaviour of subducted slabs, observations of seismic anisotropy, and polarity changes for seismic waves reflected of deep Earth interfaces. The data is used to asses the effect of the transformation on grain orientation and grain sizes. In particular, we do not observe orientation relationships between the parent α-phase and the daughter β-phase phase, suggesting an incoherent growth. We also observe significant grain size reductions and only little grain growth within the newly formed phases (Rosa et al 2016). These new results are important for understanding the mechanical behavior of subducting slabs, seismic anisotropy in the Earth's mantle, and phase transformation mechanisms in olivine. Now that it is validated, the method can also be applied to other phases that can not be studied using electron microscopy, such as perovskite and post-perovskite. Langrand, Hilairet, Nisr, Roskosz, Ribárik, Vaughan, Merkel, Reliability of Multigrain Indexing for Orthorhombic Polycrystals above 1 Mbar: Application to MgSiO3-Post-Perovskite, J Appl Cryst 50, in press (2017) Rosa, Hilairet, Ghosh, Garbarino, Jacobs, Perrillat, Vaughan, Merkel, In situ monitoring of phase transformation microstructures at Earth's mantle pressure and temperature using multi-grain XRD, J Appl Cryst 48, 1346-1354 (2015) Rosa, Hilairet, Ghosh, Perrillat, Garbarino, Merkel, Evolution of grain sizes and orientations during phase transitions in hydrous Mg2SiO4, J Geophys Res 121, 7161-7176 (2016)

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

Reimanis, Ivar; Cioabanu, Cristian

The study of materials with unusual properties offers new insight into structure-property relations as well as promise for the design of novel composites. In this spirit, the PIs seek to (1) understand fundamental mechanical phenomena in ceramics that exhibit pressure-induced phase transitions, negative coefficient of thermal expansion (CTE), and negative compressibility, and (2) explore the effect of these phenomena on the mechanical behavior of composites designed with such ceramics. The broad and long-term goal is to learn how to utilize these unusual behaviors to obtain desired mechanical responses. While the results are expected to be widely applicable to many ceramics,more » most of the present focus is on silicates, as they exhibit remarkable diversity in structure and properties. Eucryptite, a lithium aluminum silicate (LiAlSiO 4), is specifically targeted because it exhibits a pressure-induced phase transition at a sufficiently low pressure to be accessible during conventional materials processing. Thus, composites with eucryptite may be designed to exhibit a novel type of transformation toughening. The PIs have performed a combination of activities that encompass synthesis and processing to control structures, atomistic modeling to predict and understand structures, and characterization to study mechanical behavior. Several materials behavior discoveries were made. It was discovered that small amounts of Zn (as small as 0.1 percent by mol) reverse the sign of the coefficient of thermal expansion of beta-eucryptite from negative to slightly positive. The presence of Zn also significantly mitigates microcracking that occurs during thermal cycling of eucryptite. It is hypothesized that Zn disrupts the Li ordering in beta-eucryptite, thereby altering the thermal expansion behavior. A nanoindentation technique developed to characterize incipient plasticity was applied to examine the initial stages of the pressure induced phase transformation from beta to epsilon-eucryptite and show that the transformation nucleation is related to the motion of the tetrahedral units making up the structure. It was revealed that the conduction of Li ions through the structure is also dictated by the tetrahedral unit arrangement and how their positions change with temperature. The critical pressure to obtain the high pressure phase of eucryptite was shown to depend on the grain size. The structure of the high pressure phase was determined with a combination of atomistic modeling and in situ x-ray diffraction experiments.« less

X-ray diffraction study of low-temperature phase transformations in nickel-titanium orthodontic wires.

PubMed

Iijima, M; Brantley, W A; Guo, W H; Clark, W A T; Yuasa, T; Mizoguchi, I

2008-11-01

Employ conventional X-ray diffraction (XRD) to analyze three clinically important nickel-titanium orthodontic wire alloys over a range of temperatures between 25 and -110 degrees C, for comparison with previous results from temperature-modulated differential scanning calorimetry (TMDSC) studies. The archwires selected were 35 degrees C Copper Ni-Ti (Ormco), Neo Sentalloy (GAC International), and Nitinol SE (3M Unitek). Neo Sentalloy, which exhibits superelastic behavior, is marketed as having shape memory in the oral environment, and Nitinol SE and 35 degrees C Copper Ni-Ti also exhibit superelastic behavior. All archwires had dimensions of 0.016in.x0.022in. (0.41 mm x 0.56 mm). Straight segments cut with a water-cooled diamond saw were placed side-by-side to yield a 1 cm x 1cm test sample of each wire product for XRD analysis (Rint-Ultima(+), Rigaku) over a 2theta range from 30 degrees to 130 degrees and at successive temperatures of 25, -110, -60, -20, 0 and 25 degrees C. The phases revealed by XRD at the different analysis temperatures were in good agreement with those found in previous TMDSC studies of transformations in these alloys, in particular verifying the presence of R-phase at 25 degrees C. Precise comparisons are not possible because of the approximate nature of the transformation temperatures determined by TMDSC and the preferred crystallographic orientation present in the wires. New XRD peaks appear to result from low-temperature transformation in martensite, which a recent transmission electron microscopy (TEM) study has shown to arise from twinning. While XRD is a useful technique to study phases in nickel-titanium orthodontic wires and their transformations as a function of temperature, optimum insight is obtained when XRD analyses are combined with complementary TMDSC and TEM study of the wires.

Phase transformations in the reaction cell of TiNi-based sintered systems

NASA Astrophysics Data System (ADS)

Artyukhova, Nadezhda; Anikeev, Sergey; Yasenchuk, Yuriy; Chekalkin, Timofey; Gunther, Victor; Kaftaranova, Maria; Kang, Ji-Hoon; Kim, Ji-Soon

2018-05-01

The present work addresses the structural-phase state changes of porous TiNi-based compounds fabricated by reaction sintering (RS) of Ti and Ni powders with Co, Mo, and no additives introduced. The study also emphasizes the features of a reaction cell (RC) during the transition from the solid- to liquid-phase sintering. Mechanisms of phase transformations occurring in the solid phase, involving the low-melting Ti2Ni phase within the RC, have been highlighted. Also, the intermediate Ti2Ni phase had a crucial role to provide both the required RS behavior and modified phase composition of RS samples, and besides, it is found to be responsible for the near-equiatomic TiNi saturation of the melt. Both cobalt and molybdenum additives are shown to cause additional structuring of the transition zone (TZ) at the Ti2Ni‑TiNi interface and broadening of this zone. The impact of Co and Mo on the Ti2Ni phase is evident through fissuring of this phase layer, which is referred to solidified stresses increased in the layer due to post-alloying defects in the structure.

Phase transformation in thiamine hydrochloride tablets: Influence on tablet microstructure, physical properties, and performance.

PubMed

Chakravarty, Paroma; Suryanarayanan, Raj; Govindarajan, Ramprakash

2012-04-01

The objective of this article was to monitor phase transformation in thiamine hydrochloride, from a nonstoichiometric hydrate (NSH) to a hemihydrate (HH), in stored tablets, prepared both by direct compression and wet granulation, and to relate the storage-induced phase transformation with changes in tablet microstructure, physical properties, and performance. Raman spectroscopy revealed complete NSH → HH transformation in tablets, within 30 h of storage at 40°C/75% relative humidity. When the tablets were prepared by wet granulation of NSH alone, there was a marked increase in both tablet volume and hardness on storage. However, when microcrystalline cellulose (MCC) was included in granulation, the resulting stored tablets also exhibited a pronounced increase in disintegration time. In contrast, tablets prepared by dry processing via compression of a NSH-MCC physical mixture did not exhibit any changes in properties, despite the in situ solid form conversion. Scanning electron microscopy revealed growth of needle-like HH crystals in all stored tablets and mercury porosimetry revealed considerable changes in the pore size distribution during storage. Longer storage led to crystal growth (Ostwald ripening), causing further gradual but less dramatic changes in properties. The phase transformation and the complex interparticulate associations in the tablet influenced the changes in tablet microstructure, compact physical properties, and product behavior. Copyright © 2011 Wiley Periodicals, Inc.

Solid-liquid critical behavior of water in nanopores.

PubMed

Mochizuki, Kenji; Koga, Kenichiro

2015-07-07

Nanoconfined liquid water can transform into low-dimensional ices whose crystalline structures are dissimilar to any bulk ices and whose melting point may significantly rise with reducing the pore size, as revealed by computer simulation and confirmed by experiment. One of the intriguing, and as yet unresolved, questions concerns the observation that the liquid water may transform into a low-dimensional ice either via a first-order phase change or without any discontinuity in thermodynamic and dynamic properties, which suggests the existence of solid-liquid critical points in this class of nanoconfined systems. Here we explore the phase behavior of a model of water in carbon nanotubes in the temperature-pressure-diameter space by molecular dynamics simulation and provide unambiguous evidence to support solid-liquid critical phenomena of nanoconfined water. Solid-liquid first-order phase boundaries are determined by tracing spontaneous phase separation at various temperatures. All of the boundaries eventually cease to exist at the critical points and there appear loci of response function maxima, or the Widom lines, extending to the supercritical region. The finite-size scaling analysis of the density distribution supports the presence of both first-order and continuous phase changes between solid and liquid. At around the Widom line, there are microscopic domains of two phases, and continuous solid-liquid phase changes occur in such a way that the domains of one phase grow and those of the other evanesce as the thermodynamic state departs from the Widom line.

Universality class of non-Fermi-liquid behavior in mixed-valence systems

NASA Astrophysics Data System (ADS)

Zhang, Guang-Ming; Su, Zhao-Bin; Yu, Lu

1996-01-01

A generalized Anderson single-impurity model with off-site Coulomb interactions is derived from the extended three-band Hubbard model, originally proposed to describe the physics of the copper oxides. Using the Abelian bosonization technique and canonical transformations, an effective Hamiltonian is derived in the strong-coupling limit, which is essentially analogous to the Toulouse limit of the ordinary Kondo problem. In this limit, the effective Hamiltonian can be exactly solved, with a mixed-valence quantum critical point separating two different Fermi-liquid phases, i.e., the Kondo phase and the empty orbital phase. In the mixed-valence quantum critical regime, the local moment is only partially quenched and x-ray edge singularities are generated. Around the quantum critical point, a type of non-Fermi-liquid behavior is predicted with an extra specific heat Cimp~T1/4 and a singular spin susceptibility χimp~T-3/4. At the same time, the effective Hamiltonian under single occupancy is transformed into a resonant-level model, from which the correct Kondo physical properties (specific heat, spin susceptibility, and an enhanced Wilson ratio) are easily rederived. Finally, a brief discussion is given to relate these theoretical results to observations in UPdxCu5-x (x=1,1.5) alloys, which show single-impurity critical behavior consistent with our predictions.

Multiscale Characterization of Nickel Titanium Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Gall, Keith

Shape memory alloys were characterized by a variety of methods to investigate the relationship between microstructural phase transformation, macroscale deformation due to mechanical loading, material geometry, and initial material state. The major portion of the work is application of digital image correlation at several length scales to SMAs under mechanical loading. In addition, the connection between electrical resistance, stress, and strain was studied in NiTi wires. Finally, a new processing method was investigated to develop porous NiTi samples, which can be examined under DIC in future work. The phase transformation temperatures of a Nickel-Titanium based shape memory alloy (SMA) were initially evaluated under stress-free conditions by the differential scanning calorimetric (DSC) technique. Results show that the phase transformation temperature is significantly higher for transition from de-twinned martensite to austenite than from twinned martensite or R phase to austenite. To further examine transformation temperatures as a function of initial state a tensile test apparatus with in-situ electrical resistance (ER) measurements was used to evaluate the transformation properties of SMAs at a variety of stress levels and initial compositions. The results show that stress has a significant influence on the transformation of detwinned martensite, but a small influence on R phase and twinned martensite transformations. Electrical resistance changes linearly with strain during the transformations from both kinds of martensite to austenite. The linearity between ER and strain during the transformation from de-twinned martensite to austenite is not affected by the stress, facilitating application to control algorithms. A revised phase diagram is drawn to express these results. To better understand the nature of the local and global strain fields that accompany phase transformation in shape memory alloys (SMAs), here we use high resolution imaging together with image correlation processing at several length scales. The Digital Image Correlation (DIC) method uses digital images captured during material deformation to generate displacement and strain field maps of the specimen surface. Both 5x optical magnification and low magnification provide details of localized strain behavior during the stress induced phase transformation in polycrystalline Nickel-Titanium SMA samples. Tension bars with (and without) machined geometric defects are tested with (and without) paint speckle pattern to investigate the response near pore-like defects. Results from the standard tensile bars (no defect) show a recoverable transformation propagate across the sample (from both ends towards center) that is observed as localization in the DIC calculated strain field. Biaxial strain measurements from the DIC method also provide data to calculate a Poisson Ratio as a function of transformation progress. Specimens with a circular (0.5 mm dia) defect exhibit similar strain-localization behaviors, but the stress concentration causes early material transformation near the defect. Analysis of the magnified images illustrates strain field localization due to the underlying polycrystalline microstructure of the NiTi specimen. Last, a study presents the development of new processing techniques for porous SMA materials. Porous SMAs are potential candidates in a variety of applications where micro-macrochannels might improve thermal response of mechanical actuators or promote bone ingrowth for biomedical implant devices. Recent methods in powder metallurgy have shown that adding small amounts of Niobium improves densification of sintered NiTi alloys. New results here show how porous NiTiNb microstructures are processed using temporary steel wire space holder. The wires (or layered 2-D meshes) are electrochemically dissolved to leave a complex network of pores throughout a dense NiTiNb alloy. The processing method presented here allows better control of pore geometry and arrangement when compared to existing techniques in NiTiNb powder metallurgy.

The Modeling of Vibration Damping in SMA Wires

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

Reynolds, D R; Kloucek, P; Seidman, T I

Through a mathematical and computational model of the physical behavior of shape memory alloy wires, this study shows that localized heating and cooling of such materials provides an effective means of damping vibrational energy. The thermally induced pseudo-elastic behavior of a shape memory wire is modeled using a continuum thermodynamic model and solved computationally as described by the authors in [23]. Computational experiments confirm that up to 80% of an initial shock of vibrational energy can be eliminated at the onset of a thermally-induced phase transformation through the use of spatially-distributed transformation regions along the length of a shape memorymore » alloy wire.« less

Thermal Aging Behavior of Axial Suspension Plasma-Sprayed Yttria-Stabilized Zirconia (YSZ) Thermal Barrier Coatings

NASA Astrophysics Data System (ADS)

Zhao, Yuexing; Wang, Liang; Yang, Jiasheng; Li, Dachuan; Zhong, Xinghua; Zhao, Huayu; Shao, Fang; Tao, Shunyan

2015-02-01

7.5YSZ thermal barrier coatings (TBCs) were deposited onto the stainless steel substrates using axial suspension plasma spraying (ASPS). Free-standing coatings were isothermally aged in air from 1200 to 1600 °C for 24 h and at 1550 °C for 20 to 100 h, respectively. Thermal aging behavior such as phase composition, microstructure evolutions, grain growth, and mechanical properties for thermal-aged coatings were investigated. Results show that the as-sprayed metastable tetragonal (t'-ZrO2) phase decomposes into equilibrium tetragonal (t-ZrO2) and cubic (c-ZrO2) phases during high-temperature exposures. Upon further cooling, the c-ZrO2 may be retained or transform into another metastable tetragonal (t″-ZrO2) phase, and tetragonal → monoclinic phase transformation occurred after 1550 °C/40 h aging treatment. The coating exhibits a unique structure with segmentation cracks and micro/nano-size grains, and the grains grow gradually with increasing aging temperature and time. In addition, the hardness ( H) and Young's modulus ( E) significantly increased as a function of temperature due to healing of pores or cracks and grain growth of the coating. And a nonmonotonic variation is found in the coatings thermal aged at a constant temperature (1550 °C) with prolonged time, this is a synergetic effect of coating sintering and m-ZrO2 phase formation.

Exploring the coordination change of vanadium and structure transformation of metavanadate MgV2O6 under high pressure

PubMed Central

Tang, Ruilian; Li, Yan; Xie, Shengyi; Li, Nana; Chen, Jiuhua; Gao, Chunxiao; Zhu, Pinwen; Wang, Xin

2016-01-01

Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability and electrical transport properties of metavanadate MgV2O6. The results have revealed the coordination change of vanadium ions (from 5+1 to 6) at around 4 GPa. In addition, a pressure-induced structure transformation from the C2/m phase to the C2 phase in MgV2O6 was detected above 20 GPa, and both phases coexisted up to the highest pressure. This structural phase transition was induced by the enhanced distortions of MgO6 octahedra and VO6 octahedra under high pressure. Furthermore, the electrical resistivity decreased with pressure but exhibited different slope for these two phases, indicating that the pressure-induced structural phase transitions of MgV2O6 was also accompanied by the obvious changes in its electrical transport behavior. PMID:27924843

Phase transition studies in barium and strontium titanates at microwave frequencies

NASA Technical Reports Server (NTRS)

Dahiya, Jai N.

1993-01-01

The objectives were the following: to understand the phase transformations in barium and strontium titanates as the crystals go from one temperature to the other; and to study the dielectric behavior of barium and strontium titanate crystals at a microwave frequency of 9.12 GHz and as a function of temperature. Phase transition studies in barium and strontium titanate are conducted using a cylindrical microwave resonant cavity as a probe. The cavity technique is quite successful in establishing the phase changes in these crystals. It appears that dipole relaxation plays an important role in the behavior of the dielectric response of the medium loading the cavity as phase change takes place within the sample. The method of a loaded resonant microwave cavity as applied in this work has proven to be sensitive enough to monitor small phase changes of the cavity medium.

Effect of Co Addition on the Microstructure, Martensitic Transformation and Shape Memory Behavior of Fe-Mn-Si Alloys

NASA Astrophysics Data System (ADS)

Maji, Bikas C.; Krishnan, Madangopal; Sujata, M.; Gouthama; Ray, Ranjit K.

2013-01-01

The effect of Co addition has been studied in Fe-30Mn-6Si- xCo ( x = 0 to 9 wt pct) shape memory alloys in terms of their microstructure, martensitic transformation and shape recovery. Microstructural investigations reveal that in Fe-Mn-Si-Co alloys, the microstructure remains single-phase austenite (γ) up to 5 pct Co and beyond that becomes two-phase comprising γ and off-stoichiometric (Fe,Co)5Mn3Si2 intermetallic π-phases. The forward γ-ɛ martensite transformation start temperature ( M S) decreases with the addition of Co up to 5 pct, and alloys containing more than 5 pct Co, show slightly higher M S possibly on account of two-phase microstructure. Unlike M S, the ɛ-γ reverse transformation start temperature ( A S) has been found to remain almost unaltered by Co addition. In general, addition of Co to Fe-Mn-Si alloys deteriorates shape recovery due to decreasing resistance to plastic yielding concomitant with the formation of stress induced ɛ martensite. However, there is an improvement in shape recovery beyond 5 pct Co addition, possibly due to the strengthening effect arising from the presence of (Fe,Co)5Mn3Si2 precipitates within the two-phase microstructure and due to higher amount of stress induced ɛ martensite.

Superelasticity and cryogenic linear shape memory effects of CaFe 2As 2

DOE PAGES

Sypek, John T.; Yu, Hang; Dusoe, Keith J.; ...

2017-10-20

Shape memory materials have the ability to recover their original shape after a significant amount of deformation when they are subjected to certain stimuli, for instance, heat or magnetic fields. But, their performance is often limited by the energetics and geometry of the martensitic-austenitic phase transformation. We report a unique shape memory behavior in CaFe 2As 2, which exhibits superelasticity with over 13% recoverable strain, over 3 GPa yield strength, repeatable stress–strain response even at the micrometer scale, and cryogenic linear shape memory effects near 50 K. These properties are acheived through a reversible uni-axial phase transformation mechanism, the tetragonal/orthorhombic-to-collapsed-tetragonalmore » phase transformation. These results offer the possibility of developing cryogenic linear actuation technologies with a high precision and high actuation power per unit volume for deep space exploration, and more broadly, suggest a mechanistic path to a class of shape memory materials, ThCr 2Si 2-structured intermetallic compounds.« less

Phase Behavior of Neat Triblock Copolymers and Copolymer/Homopolymer Blends Near Network Phase Windows

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

M Tureau; L Rong; B Hsiao

The phase behavior of poly(isoprene-b-styrene-b-methyl methacrylate) (ISM) copolymers near the styrene-rich network phase window was examined through the use of neat triblock copolymers and copolymer/homopolymer blends. Both end-block and middle-block blending protocols were employed using poly(isoprene) (PI), poly(methyl methacrylate) (PMMA), and poly(styrene) (PS) homopolymers. Blended specimens exhibited phase transformations to well-ordered nanostructures (at homopolymer loadings up to 26 vol % of the total blend volume). Morphological consistency between neat and blended specimens was established at various locations in the ISM phase space. Copolymer/homopolymer blending permitted the refinement of lamellar, hexagonally packed cylinder, and disordered melt phase boundaries as well asmore » the identification of double gyroid (Q{sup 230}), alternating gyroid (Q{sup 214}), and orthorhombic (O{sup 70}) network regimes. Additionally, the experimental phase diagram exhibited similar trends to those found in a theoretical ABC triblock copolymer phase diagram with symmetric interactions and statistical segments lengths generated by Tyler et al.« less

Polymorphism, mesomorphism, and metastability of monoelaidin in excess water.

PubMed

Chung, H; Caffrey, M

1995-11-01

The polymorphic and metastable phase behavior of monoelaidin dry and in excess water was studied by using high-sensitivity differential scanning calorimetry and time-resolved x-ray diffraction in the temperature range of 4 degrees C to 60 degrees C. To overcome problems associated with a pronounced thermal history-dependent phase behavior, simultaneous calorimetry and time-resolved x-ray diffraction measurements were performed on individual samples. Monoelaidin/water samples were prepared at room temperature and stored at 4 degrees C for up to 1 week before measurement. The initial heating scan from 4 degrees C to 60 degrees C showed complex phase behavior with the sample in the lamellar crystalline (Lc0) and cubic (Im3m, Q229) phases at low and high temperatures, respectively. The Lc0 phase transforms to the lamellar liquid crystalline (L alpha) phase at 38 degrees C. At 45 degrees C, multiple unresolved lines appeared that coexisted with those from the L alpha phase in the low-angle region of the diffraction pattern that have been assigned previously to the so-called X phase (Caffrey, 1987, 1989). With further heating the X phase converts to the Im3m cubic phase. Regardless of previous thermal history, cooling calorimetric scans revealed a single exotherm at 22 degrees C, which was assigned to an L alpha+cubic (Im3m, Q229)-to-lamellar gel (L beta) phase transition. The response of the sample to a cooling followed by a reheating or isothermal protocol depended on the length of time the sample was incubated at 4 degrees C. A model is proposed that reconciles the complex polymorphic, mesomorphic, and metastability interrelationships observed with this lipid/water system. Dry monoelaidin exists in the lamellar crystalline (beta) phase in the 4 degrees C to 45 degrees C range. The beta phase transforms to a second lamellar crystalline polymorph identified as beta* at 45 degrees C that subsequently melts at 57 degrees C. The beta phase observed with dry monoelaidin is identical to the LcO phase formed by monoelaidin that was dispersed in excess water and that had not been previously heated.

Polymorphism, mesomorphism, and metastability of monoelaidin in excess water.

PubMed Central

Chung, H; Caffrey, M

1995-01-01

The polymorphic and metastable phase behavior of monoelaidin dry and in excess water was studied by using high-sensitivity differential scanning calorimetry and time-resolved x-ray diffraction in the temperature range of 4 degrees C to 60 degrees C. To overcome problems associated with a pronounced thermal history-dependent phase behavior, simultaneous calorimetry and time-resolved x-ray diffraction measurements were performed on individual samples. Monoelaidin/water samples were prepared at room temperature and stored at 4 degrees C for up to 1 week before measurement. The initial heating scan from 4 degrees C to 60 degrees C showed complex phase behavior with the sample in the lamellar crystalline (Lc0) and cubic (Im3m, Q229) phases at low and high temperatures, respectively. The Lc0 phase transforms to the lamellar liquid crystalline (L alpha) phase at 38 degrees C. At 45 degrees C, multiple unresolved lines appeared that coexisted with those from the L alpha phase in the low-angle region of the diffraction pattern that have been assigned previously to the so-called X phase (Caffrey, 1987, 1989). With further heating the X phase converts to the Im3m cubic phase. Regardless of previous thermal history, cooling calorimetric scans revealed a single exotherm at 22 degrees C, which was assigned to an L alpha+cubic (Im3m, Q229)-to-lamellar gel (L beta) phase transition. The response of the sample to a cooling followed by a reheating or isothermal protocol depended on the length of time the sample was incubated at 4 degrees C. A model is proposed that reconciles the complex polymorphic, mesomorphic, and metastability interrelationships observed with this lipid/water system. Dry monoelaidin exists in the lamellar crystalline (beta) phase in the 4 degrees C to 45 degrees C range. The beta phase transforms to a second lamellar crystalline polymorph identified as beta* at 45 degrees C that subsequently melts at 57 degrees C. The beta phase observed with dry monoelaidin is identical to the LcO phase formed by monoelaidin that was dispersed in excess water and that had not been previously heated. Images FIGURE 3 PMID:8580338

Identification of unwanted photoproducts of cosmetic preservatives in personal care products under ultraviolet-light using solid-phase microextraction and micro-matrix solid-phase dispersion.

PubMed

Alvarez-Rivera, Gerardo; Llompart, Maria; Garcia-Jares, Carmen; Lores, Marta

2015-04-17

The photochemical transformation of widely used cosmetic preservatives including benzoates, parabens, BHA, BHT and triclosan has been investigated in this work applying an innovative double-approach strategy: identification of transformation products in aqueous photodegradation experiments (UV-light, 254nm), followed by targeted screening analysis of such photoproducts in UV-irradiated cosmetic samples. Solid-phase microextraction (SPME) was applied, using different fiber coatings, in order to widen the range of detectable photoproducts in water, whereas UV-irradiated personal care products (PCPs) containing the target preservatives were extracted by micro-matrix solid-phase dispersion (micro-MSPD). Both SPME and micro-MSPD-based methodologies were successfully optimized and validated. Degradation kinetics of parent species, and photoformation of their transformation by-products were monitored by gas chromatography coupled to mass spectrometry (GC-MS). Thirty nine photoproducts were detected in aqueous photodegradation experiments, being tentatively identified based on their mass spectra. Transformation pathways between structurally related by-products, consistent with their kinetic behavior were postulated. The photoformation of unexpected photoproducts such as 2- and 4-hydroxybenzophenones, and 2,8-dichlorodibenzo-p-dioxin in PCPs are reported in this work for the first time. Copyright © 2015 Elsevier B.V. All rights reserved.

Transformation temperatures of martensite in beta phase nickel aluminide

NASA Technical Reports Server (NTRS)

Smialek, J. L.; Hehemann, R. F.

1972-01-01

Resistivity and thermal arrest measurements determined that the compositional dependence of Ms (martensite state) temperatures for NiAl martensite was linear between 60 and 69 atomic percent nickel, with Ms = 124 Ni - 7410 K. Resistivity and surface relief experiments indicated the presence of thermoelastic martensite for selected alloys. Some aspects of the transformation were studied by hot stage microscopy and related to the behavior observed for alloys exhibiting the shape-memory effect.

Transformation temperatures of martensite in beta-phase nickel aluminide.

NASA Technical Reports Server (NTRS)

Smialek, J. L.; Hehemann, R. F.

1973-01-01

Resistivity and thermal arrest measurements determined that the compositional dependence of M sub s temperatures for NiAl martensite was linear between 60 and 69 at. % Ni, with M sub s = (124 Ni - 7410)K. Resistivity and surface relief experiments for selected alloys indicated the presence of thermoelastic martensite. Some aspects of the transformation were studied by hot-stage microscopy and related to the behavior observed for alloys exhibiting the shape-memory effect.

Shock loading and release behavior of silicon nitride

NASA Astrophysics Data System (ADS)

Kawai, Nobuaki; Tsuru, Taiki; Hidaka, Naoto; Liu, Xun; Mashimo, Tsutomu

2015-06-01

Shock-reshock and shock-release experiments were performed on silicon nitride ceramics above and below its phase transition pressure. Experimental results clearly show the occurrence of elastic-plastic transition and phase transition during initial shock loading. The HEL and phase transition stress are determined as 11.6 GPa and 34.5 GPa, respectively. Below the phase transition point, the reshock profile consists of the single shock with short rise time, while the release profile shows the gradual release followed by more rapid one. Above the phase transition point, reshock and release behavior varies with the initial shock stress. In the case of reshock and release from about 40 GPa, the reshock structure is considerably dispersed, while the release structure shows rapid release. In the reshock profile from about 50 GPa, the formation of the shock wave with the small ramped precursor is observed. And, the release response from same condition shows initial gradual release and subsequent quite rapid one. These results would provide the information about how phase transformation kinetics effects on the reshock and release behavior.

Thermal behavior of metal carboxylates—II. Lead formate

NASA Astrophysics Data System (ADS)

Baraldi, Pietro

Experimental data obtained by i.r. emission spectrometry indicate that the thermal behavior of lead formate is complex. By heating in air, after a phase transition at 115°C, decomposition takes place which may lead directly to metal and oxide or to carbonate, to a basic carbonate and finally to oxide. Under vacuum the same transformations occur at higher temperatures and lead to metal.

Assessment of Shape Memory Alloys - From Atoms To Actuators - Via In Situ Neutron Diffraction

NASA Technical Reports Server (NTRS)

Benafan, Othmane

2014-01-01

As shape memory alloys (SMAs) become an established actuator technology, it is important to identify the fundamental mechanisms responsible for their performance by understanding microstructure performance relationships from processing to final form. Yet, microstructural examination of SMAs at stress and temperature is often a challenge since structural changes occur with stress and temperature and microstructures cannot be preserved through quenching or after stress removal, as would be the case for conventional materials. One solution to this dilemma is in situ neutron diffraction, which has been applied to the investigation of SMAs and has offered a unique approach to reveal the fundamental micromechanics and microstructural aspects of bulk SMAs in a non-destructive setting. Through this technique, it is possible to directly correlate the micromechanical responses (e.g., internal residual stresses, lattice strains), microstructural evolutions (e.g., texture, defects) and phase transformation properties (e.g., phase fractions, kinetics) to the macroscopic actuator behavior. In this work, in situ neutron diffraction was systematically employed to evaluate the deformation and transformation behavior of SMAs under typical actuator conditions. Austenite and martensite phases, yield behavior, variant selection and transformation temperatures were characterized for a polycrystalline NiTi (49.9 at. Ni). As the alloy transforms under thermomechanical loading, the measured textures and lattice plane-level variations were directly related to the cyclic actuation-strain characteristics and the dimensional instability (strain ratcheting) commonly observed in this alloy. The effect of training on the shape memory characteristics of the alloy and the development of two-way shape memory effect (TWSME) were also assessed. The final conversion from a material to a useful actuator, typically termed shape setting, was also investigated in situ during constrained heatingcooling and subsequent shape recovery experiments. Neutron diffraction techniques are also being applied to the investigation of novel high temperature SMAs with the objective of designing alloys with better stability, higher transition temperatures and ultimately superior durability.

Physico-chemical and thermochemical studies of the hydrolytic conversion of amorphous tricalcium phosphate into apatite

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

Somrani, Saida; Banu, Mihai; Jemal, Mohamed

2005-05-15

The conversion of amorphous tricalcium phosphate with different hydration ratio into apatite in water at 25 deg. C has been studied by microcalorimetry and several physical-chemical methods. The hydrolytic transformation was dominated by two strong exothermic events. A fast, relatively weak, wetting process and a very slow but strong heat release assigned to a slow internal rehydration and the crystallization of the amorphous phase into an apatite. The exothermic phenomenon related to the rehydration exceeded the crystalline transformation enthalpy. Rehydration occurred before the conversion of the amorphous phase into apatite and determined the advancement of the hydrolytic reaction. The apatiticmore » phases formed evolved slightly with time after their formation. The crystallinity increased whereas the amount of HPO{sub 4}{sup 2-} ion decreased. These data allow a better understanding of the behavior of biomaterials involving amorphous phases such as hydroxyapatite plasma-sprayed coatings.« less

Ice polyamorphism in the minimal Mercedes-Benz model of water.

PubMed

Cartwright, Julyan H E; Piro, Oreste; Sánchez, Pedro A; Sintes, Tomás

2012-12-28

We investigate ice polyamorphism in the context of the two-dimensional Mercedes-Benz model of water. We find a first-order phase transition between a crystalline phase and a high-density amorphous phase. Furthermore, we find a reversible transformation between two amorphous structures of high and low density; however, we find this to be a continuous and not an abrupt transition, as the low-density amorphous phase does not show structural stability. We discuss the origin of this behavior and its implications with regard to the minimal generic modeling of polyamorphism.

Ice polyamorphism in the minimal Mercedes-Benz model of water

NASA Astrophysics Data System (ADS)

Cartwright, Julyan H. E.; Piro, Oreste; Sánchez, Pedro A.; Sintes, Tomás

2012-12-01

We investigate ice polyamorphism in the context of the two-dimensional Mercedes-Benz model of water. We find a first-order phase transition between a crystalline phase and a high-density amorphous phase. Furthermore, we find a reversible transformation between two amorphous structures of high and low density; however, we find this to be a continuous and not an abrupt transition, as the low-density amorphous phase does not show structural stability. We discuss the origin of this behavior and its implications with regard to the minimal generic modeling of polyamorphism.

Potential High-Temperature Shape-Memory-Alloy Actuator Material Identified

NASA Technical Reports Server (NTRS)

Noebe, Ronald D.; Gaydosh, Darrell J.; Biles, Tiffany A.; Garg, Anita

2005-01-01

Shape-memory alloys are unique "smart materials" that can be used in a wide variety of adaptive or "intelligent" components. Because of a martensitic solid-state phase transformation in these materials, they can display rather unusual mechanical properties including shape-memory behavior. This phenomenon occurs when the material is deformed at low temperatures (below the martensite finish temperature, Mf) and then heated through the martensite-to-austenite phase transformation. As the material is heated to the austenite finish temperature Af, it is able to recover its predeformed shape. If a bias is applied to the material as it tries to recover its original shape, work can be extracted from the shape-memory alloy as it transforms. Therefore, shape-memory alloys are being considered for compact solid-state actuation devices to replace hydraulic, pneumatic, or motor-driven systems.

Molecular dynamics study of dual-phase microstructure of Titanium and Zirconium metals during the quenching process

NASA Astrophysics Data System (ADS)

Miyazaki, Narumasa; Sato, Kazunori; Shibutani, Yoji

Dual-phase (DP) transformation, which is composed of felite- and/or martensite- multicomponent microstructural phases, is one of the most effective tools to product functional alloys. To obtain this DP structure such as DP steels and other materials, we usually apply thermal processes such as quenching, tempering and annealing. As the transformation dynamics of DP microstructure depends on conditions of temperature, annealing time, and quenching rate, physical properties of materials are able to be tuned by controlling microstructure type, size, their interfaces and so on. In this study, to understand the behavior of DP transformation and to control physical properties of materials by tuning DP microstructures, we analyze the atomistic dynamics of DP transformation during the quenching process and the detail of DP microstructures by using the molecular dynamics simulations. As target metals of DP transformation, we focus on group 4 transition metals, such as Ti and Zr described by EAM interatomic potentials. For Ti and Zr models we perform molecular dynamics simulations by assuming melt-quenching process from 3000 K to 0 K under the isothermal-isobaric ensemble. During the process for each material, we observe liquid to HCP like transition around the melting temperature, and continuously HCP-BCC like transition around martensitic transformation temperature. Furthermore, we clearly distinguish DP microstructure for each quenched model.

Directional dual-tree complex wavelet packet transforms for processing quadrature signals.

PubMed

Serbes, Gorkem; Gulcur, Halil Ozcan; Aydin, Nizamettin

2016-03-01

Quadrature signals containing in-phase and quadrature-phase components are used in many signal processing applications in every field of science and engineering. Specifically, Doppler ultrasound systems used to evaluate cardiovascular disorders noninvasively also result in quadrature format signals. In order to obtain directional blood flow information, the quadrature outputs have to be preprocessed using methods such as asymmetrical and symmetrical phasing filter techniques. These resultant directional signals can be employed in order to detect asymptomatic embolic signals caused by small emboli, which are indicators of a possible future stroke, in the cerebral circulation. Various transform-based methods such as Fourier and wavelet were frequently used in processing embolic signals. However, most of the times, the Fourier and discrete wavelet transforms are not appropriate for the analysis of embolic signals due to their non-stationary time-frequency behavior. Alternatively, discrete wavelet packet transform can perform an adaptive decomposition of the time-frequency axis. In this study, directional discrete wavelet packet transforms, which have the ability to map directional information while processing quadrature signals and have less computational complexity than the existing wavelet packet-based methods, are introduced. The performances of proposed methods are examined in detail by using single-frequency, synthetic narrow-band, and embolic quadrature signals.

Deformation behavior of Nb nanowires in TiNiCu shape memory alloy matrix

DOE PAGES

Jiang, Daqiang; Liu, Yinong; Yu, Cun; ...

2015-08-18

An in-situ nanowire Nb/TiNiCu composite is fabricated based on the concept of strain under-matching between a phase transforming matrix and high strength nanomaterials. The deformation behavior of the Nb nanowire was investigated by means of in-situ synchrotron X-ray diffraction when the TiNiCu matrix underwent different deformation modes. The maximum lattice strain of the Nb nanowires was about 5% when the matrix deformed via martensitic transformation or 1% when deforming plastically by dislocation slip. As a result, the Nb nanowires showed a lattice strain of 3.5% when the matrix deformed in the mixed mode of plastic deformation and martensitic transformation, whichmore » means that the occurrence of plastic deformation does not impede load transfer from the matrix to the nanowires.« less

Magnetic properties and phase transformations of iron sulfides synthesized under the hydrothermal method

NASA Astrophysics Data System (ADS)

Li, S. H.; Chen, Y. H.

2016-12-01

The iron sulfide nano-minerals possess advantages of high abundance, low cost, and low toxicity. These advantages make them be competitive in the magnetic, electronic, and photoelectric applications. Mackinawite can be used in soil or water remediations. Greigite is very important for paleomagnetic and geochemical environment studies and the anode materials for lithium ion batteries. Besides, greigite is also utilized for hyperthermia and biomedicine. Pyrrhotite can be applied as geothermometry. Due to the above-mentioned reasons, iron sulfide minerals have specific significances and they must be further investigated, like their phase transformations, magnetic properties, and etc. In this study, the iron sulfide minerals were synthesized by using a hydrothermal method. The ex-situ and in-situ X-ray diffraction (XRD) was used to examine the crystal structure and phase transformation of iron sulfide minerals. The Transmission electron microscopy (TEM) and superconducting quantum interference device (SQUID) were carried out to investigate their morphology and magnetic properties, respectively. The results suggested that the phase transformation sequence was followed the order: mackinawite → greigite → (smythite) → pyrrhotite. Two pure mineral phases of greigite and pyrrhotite were obtained under the hydrothermal conditions. The morphology of the pure greigite is granular aggregates with a particle size of approximately 30 nm and pyrrhotite presented a hexagonal sheet stacking with a particle size of thousands nanometers. The greigite had a ferri-magnetic behavior and pyrrhotite was weak ferro-magnetic. Both of them had a pseudo-single magnetic domain (PSD) based on the Day's plot from SQUID data. The complete phase-transformation pathways and high magnetization of iron sulfide minerals are observed in this study and these kind of iron sulfide minerals are worthy to further study.

Experimental and numerical investigation into the behavior of shape memory alloys

NASA Astrophysics Data System (ADS)

Philander, Oscar; Oliver, Graeme John; Sun, Bohua

2012-11-01

Research and development of smart alignment systems is currently being undertaken at the Smart Devices and MEMS Laboratory at the Cape Peninsula University of Technology. The intended devices will harness the remarkable phenomena of shape memory alloys (SMAs), i.e. the shape memory effect and pseudo-elasticity, for actuation purposes. These unique characteristics of shape memory alloy behavior results from an austenitic ⇔ martensitic phase transformation during heating or cooling and/or a de-twinning of the martensitic variants due to an applied load. This paper investigates the microscopic and macroscopic behavior of SMA wires and uses the dynamic one-dimensional thermodynamic and statistical thermodynamic constitutive model proposed by Müller and Achenbach and further refined by Müller and Seelecke in the design of SMA line actuators. This model permits the simulation of the response of a tensile specimen to a thermodynamic input and calculates all phase transformations, phase proportions and deformations as functions of time if the temperature and applied load are prescribed as functions of time. The aim of this research is to develop an understanding of the numerical model and its implementation in the design of SMA line actuators. Specific results should show response time of a given length of SMA wire subjected to an applied load and temperature increase, and the load - displacement relationships for both quasi-plastic and pseudo-elastic behaviors. This paper also introduces some of the devices currently under investigation by the Smart Alignment Systems Research Group.

Silencing of hygromycin phosphotransferase (hph) gene during sexual cycle and its reversible inactivation in heterokaryon of Neurospora crassa.

PubMed

Dev, Kamal; Maheshwari, Ramesh

2003-09-01

We transformed wild-type Neurospora crassa with hph gene encoding hygromycin phosphotransferase to obtain hygromycin-resistant (HygR) transformants and studied their behavior in the vegetative and sexual phases of growth. During vegetative growth in the absence of hygromycin, the hph gene was stable for at least three successive transfers with conidia. On the other hand, the behavior of the transformants in the sexual phase was different. The segregation of hph gene in the meiotic progeny was in accordance with the Mendelian ratio as inferred from PCR analysis. However, in spite of inheriting the hph gene, a proportion of the meiotic progeny failed to grow in the presence of hygromycin. This suggested that the hph gene is silenced in some progeny. The silencing effect was not confined to hph gene expression, since one-half of the meiotic progeny also showed poor conidiation. Genomic Southern analysis indicated deletions/rearrangements of the transgene in the progeny. A heterokaryon between silenced and non-silenced strains was able to grow on hygromycin-containing medium, showing that silencing was recessive. Silencing was reversed in homokaryotic nuclei extracted from such heterokaryon.

Phase-Controlled Bistability of a Dark Soliton Train in a Polariton Fluid.

PubMed

Goblot, V; Nguyen, H S; Carusotto, I; Galopin, E; Lemaître, A; Sagnes, I; Amo, A; Bloch, J

2016-11-18

We use a one-dimensional polariton fluid in a semiconductor microcavity to explore the nonlinear dynamics of counterpropagating interacting Bose fluids. The intrinsically driven-dissipative nature of the polariton fluid allows us to use resonant pumping to impose a phase twist across the fluid. When the polariton-polariton interaction energy becomes comparable to the kinetic energy, linear interference fringes transform into a train of solitons. A novel type of bistable behavior controlled by the phase twist across the fluid is experimentally evidenced.

Navigating behavioral energy sufficiency. Results from a survey in Swiss cities on potential behavior change.

PubMed

Seidl, Roman; Moser, Corinne; Blumer, Yann

2017-01-01

Many countries have some kind of energy-system transformation either planned or ongoing for various reasons, such as to curb carbon emissions or to compensate for the phasing out of nuclear energy. One important component of these transformations is the overall reduction in energy demand. It is generally acknowledged that the domestic sector represents a large share of total energy consumption in many countries. Increased energy efficiency is one factor that reduces energy demand, but behavioral approaches (known as "sufficiency") and their respective interventions also play important roles. In this paper, we address citizens' heterogeneity regarding both their current behaviors and their willingness to realize their sufficiency potentials-that is, to reduce their energy consumption through behavioral change. We collaborated with three Swiss cities for this study. A survey conducted in the three cities yielded thematic sets of energy-consumption behavior that various groups of participants rated differently. Using this data, we identified four groups of participants with different patterns of both current behaviors and sufficiency potentials. The paper discusses intervention types and addresses citizens' heterogeneity and behaviors from a city-based perspective.

Effects of Palladium Content, Quaternary Alloying, and Thermomechanical Processing on the Behavior of Ni-Ti-Pd Shape Memory Alloys for Actuator Applications

NASA Technical Reports Server (NTRS)

Bigelow, Glen

2008-01-01

The need for compact, solid-state actuation systems for use in the aerospace, automotive, and other transportation industries is currently driving research in high-temperature shape memory alloys (HTSMA) having transformation temperatures above 100 C. One of the basic high temperature systems under investigation to fill this need is NiTiPd. Prior work on this alloy system has focused on phase transformations and respective temperatures, no-load shape memory behavior (strain recovery), and tensile behavior for selected alloys. In addition, a few tests have been done to determine the effect of boron additions and thermomechanical treatment on the aforementioned properties. The main properties that affect the performance of a solid state actuator, namely work output, transformation strain, and permanent deformation during thermal cycling under load have mainly been neglected. There is also no consistent data representing the mechanical behavior of this alloy system over a broad range of compositions. For this thesis, ternary NiTiPd alloys containing 15 to 46 at.% palladium were processed and the transformation temperatures, basic tensile properties, and work characteristics determined. However, testing reveals that at higher levels of alloying addition, the benefit of increased transformation temperature begins to be offset by lowered work output and permanent deformation or "walking" of the alloy during thermal cycling under load. In response to this dilemma, NiTiPd alloys have been further alloyed with gold, platinum, and hafnium additions to solid solution strengthen the martensite and parent austenite phases in order to improve the thermomechanical behavior of these materials. The tensile properties, work behavior, and dimensional stability during repeated thermal cycling under load for the ternary and quaternary alloys were compared and discussed. In addition, the benefits of more advanced thermomechanical processing or training on the dimensional stability of these alloys during repeated actuation were investigated. Finally, the effect of quaternary alloying on the thermal stability of NiTiPdX alloys is determined via thermal cycling of the materials to increasing temperatures under load. It was found that solid solution additions of platinum and gold resulted in about a 30 C increase in upper use temperature compared to the baseline NiTiPd alloy, providing an added measure of over-temperature protection.

Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model

NASA Astrophysics Data System (ADS)

Engstler, Justin; Giovambattista, Nicolas

2017-08-01

We characterize the phase behavior of glassy water by performing extensive out-of-equilibrium molecular dynamics simulations using the TIP4P/2005 water model. Specifically, we study (i) the pressure-induced transformations between low-density (LDA) and high-density amorphous ice (HDA), (ii) the pressure-induced amorphization (PIA) of hexagonal ice (Ih), (iii) the heating-induced LDA-to-HDA transformation at high pressures, (iv) the heating-induced HDA-to-LDA transformation at low and negative pressures, (v) the glass transition temperatures of LDA and HDA as a function of pressure, and (vi) the limit of stability of LDA upon isobaric heating and isothermal decompression (at negative pressures). These transformations are studied systematically, over a wide range of temperatures and pressures, allowing us to construct a P-T phase diagram for glassy TIP4P/2005 water. Our results are in qualitative agreement with experimental observations and with the P-T phase diagram obtained for glassy ST2 water that exhibits a liquid-liquid phase transition and critical point. We also discuss the mechanism for PIA of ice Ih and show that this is a two-step process where first, the hydrogen-bond network (HBN) is distorted and then the HBN abruptly collapses. Remarkably, the collapse of the HB in ice Ih occurs when the average molecular orientations order, a measure of the tetrahedrality of the HBN, is of the same order as in LDA, suggesting a common mechanism for the LDA-to-HDA and Ih-to-HDA transformations.

Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model.

PubMed

Engstler, Justin; Giovambattista, Nicolas

2017-08-21

We characterize the phase behavior of glassy water by performing extensive out-of-equilibrium molecular dynamics simulations using the TIP4P/2005 water model. Specifically, we study (i) the pressure-induced transformations between low-density (LDA) and high-density amorphous ice (HDA), (ii) the pressure-induced amorphization (PIA) of hexagonal ice (I h ), (iii) the heating-induced LDA-to-HDA transformation at high pressures, (iv) the heating-induced HDA-to-LDA transformation at low and negative pressures, (v) the glass transition temperatures of LDA and HDA as a function of pressure, and (vi) the limit of stability of LDA upon isobaric heating and isothermal decompression (at negative pressures). These transformations are studied systematically, over a wide range of temperatures and pressures, allowing us to construct a P-T phase diagram for glassy TIP4P/2005 water. Our results are in qualitative agreement with experimental observations and with the P-T phase diagram obtained for glassy ST2 water that exhibits a liquid-liquid phase transition and critical point. We also discuss the mechanism for PIA of ice I h and show that this is a two-step process where first, the hydrogen-bond network (HBN) is distorted and then the HBN abruptly collapses. Remarkably, the collapse of the HB in ice I h occurs when the average molecular orientations order, a measure of the tetrahedrality of the HBN, is of the same order as in LDA, suggesting a common mechanism for the LDA-to-HDA and I h -to-HDA transformations.

Compensatory plasticity at an identified synapse tunes a visuomotor pathway.

PubMed

Rogers, Stephen M; Krapp, Holger G; Burrows, Malcolm; Matheson, Thomas

2007-04-25

We characterized homeostatic plasticity at an identified sensory-motor synapse in an insect, which maintains constant levels of motor drive as locusts transform from their solitarious phase to their gregarious swarming phase. The same mechanism produces behaviorally relevant changes in response timing that can be understood in the context of an animal's altered behavioral state. For individual animals of either phase, different looming objects elicited different spiking responses in a visual looming detector interneuron, descending contralateral movement detector (DCMD), yet its synaptic drive to a leg motoneuron, fast extensor tibiae (FETi), always had the same maximum amplitude. Gregarious locust DCMDs produced more action potentials and had higher firing frequencies, but individual postsynaptic potentials (PSPs) elicited in FETi were half the amplitude of those in solitarious locusts. A model suggested that this alone could not explain the similarity in overall amplitude, and we show that facilitation increased the maximum compound PSP amplitude in gregarious animals. There was the same linear relationship between times of peak DCMD firing before collision and the size/velocity of looming objects in both phases. The DCMD-FETi synapse transformed this relationship nonlinearly, such that peak amplitudes of compound PSPs occurred disproportionately earlier for smaller/faster objects. Furthermore, the peak PSP amplitude occurred earlier in gregarious than in solitarious locusts, indicating a differential tuning. Homeostatic modulation of the amplitude, together with a nonlinear synaptic transformation of timing, acted together to tune the DCMD-FETi system so that swarming gregarious locusts respond earlier to small moving objects, such as conspecifics, than solitarious locusts.

Using Lean to Rapidly and Sustainably Transform a Behavioral Health Crisis Program: Impact on Throughput and Safety.

PubMed

Balfour, Margaret E; Tanner, Kathleen; Jurica, Paul J; Llewellyn, Dawn; Williamson, Robert G; Carson, Chris A

2017-06-01

Lean has been increasingly applied in health care to reduce waste and improve quality, particularly in fast-paced and high-acuity clinical settings such as emergency departments. In addition, Lean's focus on engagement of frontline staff in problem solving can be a catalyst for organizational change. In this study, ConnectionsAZ demonstrates how they applied Lean principles to rapidly and sustainably transform clinical operations in a behavioral health crisis facility. A multidisciplinary team of management and frontline staff defined values-based outcome measures, mapped the current and ideal processes, and developed new processes to achieve the ideal. Phase I was implemented within three months of assuming management of the facility and involved a redesign of flow, space utilization, and clinical protocols. Phase II was implemented three months later and improved the provider staffing model. Organizational changes such as the development of shift leads and daily huddles were implemented to sustain change and create an environment supportive of future improvements. Post-Phase I, there were significant decreases (pre vs. post and one-year post) in median door-to-door dwell time (343 min vs. 118 and 99), calls to security for behavioral emergencies (13.5 per month vs. 4.3 and 4.8), and staff injuries (3.3 per month vs. 1.2 and 1.2). Post-Phase II, there were decreases in median door-to-doctor time (8.2 hours vs. 1.6 and 1.4) and hours on diversion (90% vs. 17% and 34%). Lean methods can positively affect safety and throughput and are complementary to patient-centered clinical goals in a behavioral health setting. Copyright © 2017 The Author(s). Published by Elsevier Inc. All rights reserved.

Phase transformation behavior and mechanical properties of thermomechanically treated K3XF nickel-titanium instruments.

PubMed

Shen, Ya; Zhou, Hui-Min; Wang, Zhejun; Campbell, Les; Zheng, Yu-feng; Haapasalo, Markus

2013-07-01

The bending and torsional properties of thermomechanically treated K3XF (SybronEndo, Orange, CA) nickel-titanium instruments in relation to their phase transformation behavior were evaluated. NiTi instruments K3 (SybronEndo) and K3XF, both in sizes 25/.04 and 40/.04, were examined by differential scanning calorimetry and X-ray diffraction. The metal composition was determined by scanning electron microscopy with X-ray energy-dispersive spectrometric analyses. The bending property of K3 and K3XF instruments was measured in a cantilever-bending test with a maximum deflection of 4.00 mm. A torsional test of the instruments was evaluated according to the American National Standards Institute/American Dental Association Specification No. 28. K3 and K3XF instruments had approximately the same chemical composition with a nickel content of 48-49 atomic %. The differential scanning calorimetry analyses showed that each segment of the K3XF instruments (24.89°C ± 1.98°C) had a higher austenite finish temperature than the K3 instruments (17.63°C ± 1.76°C) (P < .05). The bending load values were significantly lower for K3XF than for K3 in the superelastic ranges (P < .05). There was no statistically significant difference between K3 and K3XF in the maximum torque or maximum angular deflection before failure. The torque at fracture values of K3 and K3XF increased significantly with the diameter (P < .05). K3XF exhibited different phase transformation behavior and flexibility when compared with K3, which may be attributed to the special heat treatment history of K3XF instruments. Copyright © 2013 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

In situ X-Ray Diffraction of Shock-Compressed Fused Silica

NASA Astrophysics Data System (ADS)

Tracy, Sally June; Turneaure, Stefan J.; Duffy, Thomas S.

2018-03-01

Because of its widespread applications in materials science and geophysics, SiO2 has been extensively examined under shock compression. Both quartz and fused silica transform through a so-called "mixed-phase region" to a dense, low compressibility high-pressure phase. For decades, the nature of this phase has been a subject of debate. Proposed structures include crystalline stishovite, another high-pressure crystalline phase, or a dense amorphous phase. Here we use plate-impact experiments and pulsed synchrotron x-ray diffraction to examine the structure of fused silica shock compressed to 63 GPa. In contrast to recent laser-driven compression experiments, we find that fused silica adopts a dense amorphous structure at 34 GPa and below. When compressed above 34 GPa, fused silica transforms to untextured polycrystalline stishovite. Our results can explain previously ambiguous features of the shock-compression behavior of fused silica and are consistent with recent molecular dynamics simulations. Stishovite grain sizes are estimated to be ˜5 - 30 nm for compression over a few hundred nanosecond time scale.

Differential utilization and transformation of sulfur allotropes, μ-S and α-S8, by moderate thermoacidophile Sulfobacillus thermosulfidooxidans.

PubMed

Nie, Zhen-yuan; Liu, Hong-chang; Xia, Jin-lan; Zhu, Hong-rui; Ma, Chen-yan; Zheng, Lei; Zhao, Yi-dong; Qiu, Guan-zhou

2014-10-01

The utilization of amorphous μ-S and orthorhombic α-S8 by thermoacidophile Sulfobacillus thermosulfidooxidans was firstly investigated in terms of cell growth and sulfur oxidation behavior. The morphology and surface sulfur speciation transformation were evaluated by using scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform-infrared spectroscopy (FT-IR), Raman spectroscopy and sulfur K-edge X-ray absorption near edge structure (XANES) spectroscopy. The results showed that the strain grown on μ-S entered slower (about 1 day later) into the exponential phase, while grew faster in exponential phase and attained higher maximal cell density and lower pH than on α-S8. After bio-corrosion, both sulfur samples were evidently eroded, but only μ-S surface presented much porosity, while α-S8 maintained glabrous. μ-S began to be gradually converted into α-S8 from day 2 when the bacterial cells entered the exponential phase, with a final composition of 62.3% μ-S and 37.7% α-S8 on day 4 at the stationary phase. α-S8 was not found to transform into other species in the experiments with or without bacteria. These data indicated S. thermosulfidooxidans oxidized amorphous μ-S faster than orthorhombic α-S8, but the chain-like μ-S was transformed into cyclic α-S8 by S. thermosulfidooxidans. Copyright © 2014 Institut Pasteur. Published by Elsevier Masson SAS. All rights reserved.

A low membrane lipid phase transition temperature is associated with a high cryotolerance of Lactobacillus delbrueckii subspecies bulgaricus CFL1.

PubMed

Gautier, J; Passot, S; Pénicaud, C; Guillemin, H; Cenard, S; Lieben, P; Fonseca, F

2013-09-01

The mechanisms of cellular damage that lactic acid bacteria incur during freeze-thaw processes have not been elucidated to date. Fourier transform infrared spectroscopy was used to investigate in situ the lipid phase transition behavior of the membrane of Lactobacillus delbrueckii ssp. bulgaricus CFL1 cells during the freeze-thaw process. Our objective was to relate the lipid membrane behavior to membrane integrity losses during freezing and to cell-freezing resistance. Cells were produced by using 2 different culture media: de Man, Rogosa, and Sharpe (MRS) broth (complex medium) or mild whey-based medium (minimal medium commonly used in the dairy industry), to obtain different membrane lipid compositions corresponding to different recovery rates of cell viability and functionality after freezing. The lipid membrane behavior studied by Fourier transform infrared spectroscopy was found to be different according to the cell lipid composition and cryotolerance. Freeze-resistant cells, exhibiting a higher content of unsaturated and cyclic fatty acids, presented a lower lipid phase transition temperature (Ts) during freezing (Ts=-8°C), occurring within the same temperature range as the ice nucleation, than freeze-sensitive cells (Ts=+22°C). A subzero value of lipid phase transition allowed the maintenance of the cell membrane in a relatively fluid state during freezing, thus facilitating water flux from the cell and the concomitant volume reduction following ice formation in the extracellular medium. In addition, the lipid phase transition of freeze-resistant cells occurred within a short temperature range, which could be ascribed to a reduced number of fatty acids, representing more than 80% of the total. This short lipid phase transition could be associated with a limited phenomenon of lateral phase separation and membrane permeabilization. This work highlights that membrane phase transitions occurring during freeze-thawing play a fundamental role in the cryotolerance of Lb. delbrueckii ssp. bulgaricus CFL1 cells. Copyright © 2013 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Use of metallic glasses for fabrication of structures with submicron dimensions

DOEpatents

Wiley, John D.; Perepezko, John H.

1986-01-01

Patterned structures of submicron dimension formed of supported or unsupported amorphous metals having submicron feature sizes characterized by etching behavior sufficient to allow delineation of sharp edges and smooth flat flanks, resistance to time-dependent dimensional changes caused by creep, flow, in-diffusion of unwanted impurities, out-diffusion of constituent atoms, void formation, grain growth or phase separation and resistance to phase transformations or compound formation.

Interdiffusion behaviors of iron aluminide coatings on China low activation martensitic steel

NASA Astrophysics Data System (ADS)

Zhu, X. X.; Yang, H. G.; Yuan, X. M.; Zhao, W. W.; Zhan, Q.

2014-12-01

The iron aluminide coating on China Low Activation Martensitic (CLAM) steel was prepared by pack cementation and subsequent heat treatment. A surface Fe2Al5 layer was formed on CLAM substrate by pack cementation process with Fe2Al5 donor powder and NH4Cl activator. Diffusion heat treatment was performed in order to allow the phase transformation from Fe2Al5 to a phase with lower aluminum content. Morphology and composition of the coatings were characterized by optical microscopy (OM), scanning electron microscopy (SEM) equipped with energy dispersive spectroscopy (EDS), glow discharge optical emission spectroscopy (GDOES) and X-ray diffraction (XRD). There is a need to study the interdiffusion behaviors in these Al containing systems, as a basis for controlling the formation and subsequent degradation of the coating. In this paper, a predictive model was developed to describe the phase transformation of Fe2Al5 as a function of processing parameters. The Wagner's equation was used to calculate the interdiffusion coefficients based on the analysis of the Al concentration profiles. The results showed that the interdiffusion coefficients in the FeAl and α-Fe(Al) phase strongly depends on Al content and showed a maximum at about 28 at.% Al.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice.

PubMed

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W; Poole, Peter H

2016-12-14

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W.; Poole, Peter H.

2016-12-01

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Final Scientific/Technical Report

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

Reeder, Richard; Phillips, Brian

A variety of calcifying organisms produce a transient or metastable amorphous calcium carbonate (ACC) precursor phase that is assembled and subsequently transformed into a crystalline biomineral, typically calcite or aragonite. The complex shapes, hierarchical structures, and unique physical properties of the biominerals that result from this calcification pathway have stimulated interest in adapting these concepts for the design and creation of bio-inspired functional materials in the laboratory. ACC also forms as a reactive precursor in diverse inorganic systems and is likely to play a much broader role in calcium carbonate formation. Knowledge of the structure, composition, and behavior of thismore » metastable phase is critical for establishing a structural and mechanistic framework for calcium carbonate formation and its role in biogeochemical processes, including carbon cycling. Minor additives, such as magnesium, phosphorus, and organic macromolecules, are known to play important roles in controlling ACC stability, transformation kinetics, and selection of final crystalline polymorph. Molecular water also occurs in many types of ACC and is thought to play a structural role in its stability and transformation behavior. One of the major challenges that remain unresolved is identification of the structural basis for the role of these minor additives and molecular water. The absence of long-range order in ACC, and other amorphous phases, has posed a challenge for study by techniques commonly used for crystalline solids. Preliminary studies in our group show that the combination of two techniques, synchrotron X-ray-based pair distribution function (PDF) analysis and nuclear magnetic resonance (NMR) spectroscopy can provide entirely new insight to structural properties of synthetic ACC over length scales that are most relevant for understanding its transformation properties. Building on preliminary experiments, we propose a systematic study of synthesis, structure, and transformation behavior in abiotic systems. The work will specifically address the influence of phosphate as a minor additive. PDF analysis will utilize total X-ray scattering data collected at synchrotron facilities optimized for this method and will provide direct characterization of the short- and intermediate-range structure of ACC synthesized under controlled conditions. Parallel computational work using reverse Monte Carlo methods will allow structural models to be constructed for a more complete analysis of PDF results. NMR spectroscopy, using a variety of single- and double-resonance techniques, will provide information on H and CO3 components, including dynamical properties, and their relationship to stabilizing additives. PDF and NMR results will be complemented by parallel studies using X-ray absorption and FT-IR spectroscopy to allow direct comparison to previous studies. These techniques will be used to follow the transformation of different ACC samples, with specific additives, to crystalline phases under controlled condition (e.g., relative humidity). This work will provide the structural and mechanistic basis for understanding ACC stability, its transformation behavior, and the factors that govern polymorph selection. This new insight will directly benefit researchers in diverse fields, as well as adding to the framework of knowledge for understanding and controlling calcium carbonate formation in natural and engineered systems.« less

Microstructure and transformation behavior of Ni{sub 24.7}Ti{sub 50.3}Pd{sub 25} high temperature shape-memory alloy with Sc micro-addition

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

Ramaiah, K.V., E-mail: kvramaiah@nal.res.in; Saikrishna, C.N.; Gouthama

2015-08-15

NiTiPd shape-memory alloys (SMAs) are potential functional materials for use as solid-state actuators in the temperature range 100–250 °C. The present study investigates the effect of 1.0 at.% Sc micro-addition to Ni{sub 24.7}Ti{sub 50.3}Pd{sub 25} alloy, Sc replacing either Ti or Ni. Results show that all the three alloys studied have stable transformation behavior on stress-free thermal cycling and hence, are suitable for cyclic actuation applications. However, the addition of Sc to NiTiPd alloy leads to decrease of transformation temperatures, the magnitude of decrease being greater for the alloy with Sc replacing Ni. The martensite finish (M{sub f}) temperature ofmore » 181 °C for the NiTiPd alloy decreased to 139 °C for Sc replacing Ti and 83 °C for Sc replacing Ni. Also, the indentation modulus of NiTiPdSc (Sc replacing Ni) alloy is found to be significantly low compared to the other alloys. Analysis indicates that the observed differences in the alloy properties are related to the solubility of Sc in the NiTiPd matrix. While the quaternary NiTiPdSc alloy, Sc replacing Ti, has a single phase microstructure, the alloy with Sc replacing Ni shows the presence of Sc-rich and TiPd-type second phases in the microstructure. TEM examination revealed that the TiPd-type phase has a distinct rod-like morphology (30–50 nm) arranged in a grid-like structure. The transformation and indentation behavior of the alloys is elucidated using thermodynamic calculations of frictional energy and an electronic structure based analysis. - Highlights: • TEM of Ni{sub 23.7}Ti{sub 50.3}Pd{sub 25}Sc{sub 1} showed distinct grid of TiPd-type phase nanorods < 50 nm. • Stress-free thermal cycling of all the three alloys showed stable transformation behavior. • Ni{sub 24.7}Ti{sub 49.3}Pd{sub 25}Sc{sub 1} and Ni{sub 23.7}Ti{sub 50.3}Pd{sub 25}Sc{sub 1} showed single and multiphase structures. • Sc micro-addition (1 at.%) to Ni{sub 24.7}Ti{sub 50.3}Pd{sub 25} alloy decreased TTs significantly. • Ni{sub 23.7}Ti{sub 50.3}Pd{sub 25}Sc{sub 1} exhibited lower modulus of 67 GPa to 85 GPa of Ni{sub 24.7}Ti{sub 50.3}Pd{sub 25}.« less

In situ study of LaY2Ni9 compound as Ni MH negative-electrode material

NASA Astrophysics Data System (ADS)

Latroche, M.; Isnard, O.

2008-03-01

The behavior of a Ni-MH (metal hydride) negative composite electrode made of LaY2Ni9 active material has been studied dynamically using in situ neutron diffraction during a complete charge-discharge electrochemical cycle. From the analysis of the collected diffraction patterns, the phase identity, phase amount variations and cell volume evolutions have been determined as a function of the electrochemical state of (dis)charge. The active material shows a typical two-phase behavior with equilibrium between a hydrogen-poor α phase and a hydrogen-rich β one. The lower electrochemical reversible capacity as compared to solid-gas properties has been interpreted in terms of hydrogen gas evolving during charge and kinetic limitation due to slow β to α transformation during discharge, which hinders high discharge rates.

Effect of surface oxidation on thermomechanical behavior of NiTi shape memory alloy wire

NASA Astrophysics Data System (ADS)

Ng, Ching Wei; Mahmud, Abdus Samad

2017-12-01

Nickel titanium (NiTi) alloy is a unique alloy that exhibits special behavior that recovers fully its shape after being deformed to beyond elastic region. However, this alloy is sensitive to any changes of its composition and introduction of inclusion in its matrix. Heat treatment of NiTi shape memory alloy to above 600 °C leads to the formation of the titanium oxide (TiO2) layer. Titanium oxide is a ceramic material that does not exhibit shape memory behaviors and possess different mechanical properties than that of NiTi alloy, thus disturbs the shape memory behavior of the alloy. In this work, the effect of formation of TiO2 surface oxide layer towards the thermal phase transformation and stress-induced deformation behaviors of the NiTi alloy were studied. The NiTi wire with composition of Ti-50.6 at% Ni was subjected to thermal oxidation at 600 °C to 900 °C for 30 and 60 minutes. The formation of the surface oxide layers was characterized by using the Scanning Electron Microscope (SEM). The effect of surface oxide layers with different thickness towards the thermal phase transformation behavior was studied by using the Differential Scanning Calorimeter (DSC). The effect of surface oxidation towards the stress-induced deformation behavior was studied through the tensile deformation test. The stress-induced deformation behavior and the shape memory recovery of the NiTi wire under tensile deformation were found to be affected marginally by the formation of thick TiO2 layer.

Effect of Annealing Treatments on the Microstructure, Mechanical Properties and Corrosion Behavior of Direct Metal Laser Sintered Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Xu, Yangzi; Lu, Yuan; Sundberg, Kristin L.; Liang, Jianyu; Sisson, Richard D.

2017-05-01

An experimental investigation on the effects of post-annealing treatments on the microstructure, mechanical properties and corrosion behavior of direct metal laser sintered Ti-6Al-4V alloys has been conducted. The microstructure and phase evolution as affected by annealing treatment temperature were examined through scanning electron microscopy and x-ray diffraction. The tensile properties and Vickers hardness were measured and compared to the commercial Grade 5 Ti-6Al-4V alloy. Corrosion behavior of the parts was analyzed electrochemically in simulated body fluid at 37 °C. It was found out that the as-printed parts mainly composed of non-equilibrium α' phase. Annealing treatment allowed the transformation from α' to α phase and the development of β phase. The tensile test results indicated that post-annealing treatment could improve the ductility and decrease the strength. The as-printed Ti-6Al-4V part exhibits inferior corrosion resistance compared to the commercial alloy, and post-annealing treatment can reduce its susceptibility to corrosion by reducing the two-phase interface area.

Influence of Al content on non-equilibrium solidification behavior of Ni-Al-Ta model single crystal alloys

NASA Astrophysics Data System (ADS)

Ai, Cheng; Zhou, Jian; Zhang, Heng; Zhao, Xinbao; Pei, Yanling; Li, Shusuo; Gong, Shengkai

2016-01-01

The non-equilibrium solidification behaviors of five Ni-Al-Ta ternary model single crystal alloys with different Al contents were investigated by experimental analysis and theoretical calculation (by JMatPro) in this study. These model alloys respectively represented the γ' phase with various volume fractions (100%, 75%, 50%, 25% and 0%) at 900 °C. It was found that with decreasing Al content, liquidus temperature of experimental alloys first decreased and then increased. Meanwhile, the solidification range showed a continued downward trend. In addition, with decreasing Al content, the primary phases of non-equilibrium solidified model alloys gradually transformed from γ' phase to γ phase, and the area fraction of which first decreased and then increased. Moreover, the interdendritic/intercellular precipitation of model alloys changed from β phase (for 100% γ') to (γ+γ')Eutectic (for 75% γ'), (γ+γ')Eutectic+γ' (for 50% γ' and 25% γ') and none interdendritic precipitation (for 0% γ'), and the last stage non-equilibrium solidification sequence of model alloys was determined by the nominal Al content and different microsegregation behaviors of Al element.

Anisotropy of band gap absorption in TlGaSe2 semiconductor by ferroelectric phase transformation

NASA Astrophysics Data System (ADS)

Gulbinas, Karolis; Grivickas, Vytautas; Gavryushin, Vladimir

2014-12-01

The depth-resolved free-carrier absorption and the photo-acoustic response are used to examine the band-gap absorption in 2D-TlGaSe2 layered semiconductor after its transformation into the ferroelectric F-phase below 107 K. The absorption exhibits unusual behavior with a biaxial character in respect to the light polarization on the layer plane. A spectral analysis shows that the anisotropy is associated to the lowest Γ-direct optical transition. The Γ-absorption and the localized exciton at 2.11 eV are dipole-prohibited or partially allowed in two nearly perpendicular polarization directions. The shift of anisotropy axis in respect to crystallographic a- and b-directions demonstrates the non-equivalent zigzag rearrangement of the interlayer connecting Tl+ ions, which is responsible for occurrence of the F-phase.

In situ synchrotron high-energy X-ray diffraction study of microscopic deformation behavior of a hard-soft dual phase composite containing phase transforming matrix

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

Zhang, Junsong; Hao, Shijie; Jiang, Daqiang

This study explored a novel intermetallic composite design concept based on the principle of lattice strain matching enabled by the collective atomic load transfer. It investigated the hard-soft microscopic deformation behavior of a Ti3Sn/TiNi eutectic hard-soft dual phase composite by means of in situ synchrotron high-energy X-ray diffraction (HE-XRD) during compression. The composite provides a unique micromechanical system with distinctive deformation behaviors and mechanisms from the two components, with the soft TiNi matrix deforming in full compliance via martensite variant reorientation and the hard Ti3Sn lamellae deforming predominantly by rigid body rotation, producing a crystallographic texture for the TiNi matrixmore » and a preferred alignment for the Ti3Sn lamellae. HE-XRD reveals continued martensite variant reorientation during plastic deformation well beyond the stress plateau of TiNi. The hard and brittle Ti3Sn is also found to produce an exceptionally large elastic strain of 1.95% in the composite. This is attributed to the effect of lattice strain matching between the transformation lattice distortion of the TiNi matrix and the elastic strain of Ti3Sn lamellae. With such unique micromechanic characteristics, the composite exhibits high strength and large ductility.« less

The behavior of a macroscopic granular material in vortex flow

NASA Astrophysics Data System (ADS)

Nishikawa, Asami

A granular material is defined as a collection of discrete particles such as powder and grain. Granular materials display a large number of complex behaviors. In this project, the behavior of macroscopic granular materials under tornado-like vortex airflow, with varying airflow velocity, was observed and studied. The experimental system was composed of a 9.20-cm inner diameter acrylic pipe with a metal mesh bottom holding the particles, a PVC duct, and an airflow source controlled by a variable auto-transformer, and a power-meter. A fixed fan blade was attached to the duct's inner wall to create a tornado-like vortex airflow from straight flow. As the airflow velocity was increased gradually, the behavior of a set of same-diameter granular materials was observed. The observed behaviors were classified into six phases based on the macroscopic mechanical dynamics. Through this project, we gained insights on the significant parameters for a computer simulation of a similar system by Heath Rice [5]. Comparing computationally and experimentally observed phase diagrams, we can see similar structure. The experimental observations showed the effect of initial arrangement of particles on the phase transitions.

Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

NASA Astrophysics Data System (ADS)

Song, Zhibo; Wang, Qixing; Li, Ming-Yang; Li, Lain-Jong; Zheng, Yu Jie; Wang, Zhuo; Lin, Tingting; Chi, Dongzhi; Ding, Zijing; Huang, Yu Li; Thye Shen Wee, Andrew

2018-04-01

Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined crystalline organic films form atomically sharp interfaces facilitating optimal device performance. Here, the surface phase transformation of the supramolecular packing structure of fluorinated fullerene (C60F48 ) on single-layer tungsten diselenide (WSe2) is revealed by low-temperature scanning tunneling microscopy, from thermally stable liquid to solid phases as the coverage increases. Statistical analysis of the intermolecular interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest that the dipole moment per C60F48 molecule varies with the surface molecule density, and the liquid-solid transformation could be understood from the perspective of the thermodynamic free energy for open systems. This study offers insights into the growth behavior at 2D organic/TMD hybrid heterointerfaces.

Transformation of a Spatial Map across the Hippocampal-Lateral Septal Circuit.

PubMed

Tingley, David; Buzsáki, György

2018-05-15

The hippocampus constructs a map of the environment. How this "cognitive map" is utilized by other brain regions to guide behavior remains unexplored. To examine how neuronal firing patterns in the hippocampus are transmitted and transformed, we recorded neurons in its principal subcortical target, the lateral septum (LS). We observed that LS neurons carry reliable spatial information in the phase of action potentials, relative to hippocampal theta oscillations, while the firing rates of LS neurons remained uninformative. Furthermore, this spatial phase code had an anatomical microstructure within the LS and was bound to the hippocampal spatial code by synchronous gamma frequency cell assemblies. Using a data-driven model, we show that rate-independent spatial tuning arises through the dynamic weighting of CA1 and CA3 cell assemblies. Our findings demonstrate that transformation of the hippocampal spatial map depends on higher-order theta-dependent neuronal sequences. Copyright © 2018 Elsevier Inc. All rights reserved.

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

Hou, Huilong; Simsek, Emrah; Stasak, Drew

The stress-induced martensitic phase transformation of shape memory alloys (SMAs) is the basis for elastocaloric cooling. In this paper, we employ additive manufacturing to fabricate TiNi SMAs, and demonstrate compressive elastocaloric cooling in the TiNi rods with transformation latent heat as large as 20 J g -1. Adiabatic compression on as-fabricated TiNi displays cooling ΔT as high as -7.5 °C with recoverable superelastic strain up to 5%. Unlike conventional SMAs, additive manufactured TiNi SMAs exhibit linear superelasticity with narrow hysteresis in stress–strain curves under both adiabatic and isothermal conditions. Microstructurally, we find that there are Ti 2Ni precipitates typically onemore » micron in size with a large aspect ratio enclosing the TiNi matrix. Finally, a stress transfer mechanism between reversible phase transformation in the TiNi matrix and mechanical deformation in Ti 2Ni precipitates is believed to be the origin of the unique superelasticity behavior.« less

Elastocaloric cooling of additive manufactured shape memory alloys with large latent heat

NASA Astrophysics Data System (ADS)

Hou, Huilong; Simsek, Emrah; Stasak, Drew; Hasan, Naila Al; Qian, Suxin; Ott, Ryan; Cui, Jun; Takeuchi, Ichiro

2017-10-01

The stress-induced martensitic phase transformation of shape memory alloys (SMAs) is the basis for elastocaloric cooling. Here we employ additive manufacturing to fabricate TiNi SMAs, and demonstrate compressive elastocaloric cooling in the TiNi rods with transformation latent heat as large as 20 J g-1. Adiabatic compression on as-fabricated TiNi displays cooling ΔT as high as  -7.5 °C with recoverable superelastic strain up to 5%. Unlike conventional SMAs, additive manufactured TiNi SMAs exhibit linear superelasticity with narrow hysteresis in stress-strain curves under both adiabatic and isothermal conditions. Microstructurally, we find that there are Ti2Ni precipitates typically one micron in size with a large aspect ratio enclosing the TiNi matrix. A stress transfer mechanism between reversible phase transformation in the TiNi matrix and mechanical deformation in Ti2Ni precipitates is believed to be the origin of the unique superelasticity behavior.

High-pressure polymorphism of acetylsalicylic acid (aspirin): Raman spectroscopy

NASA Astrophysics Data System (ADS)

Crowell, Ethan L.; Dreger, Zbigniew A.; Gupta, Yogendra M.

2015-02-01

Micro-Raman spectroscopy was used to elucidate the high-pressure polymorphic behavior of acetylsalicylic acid (ASA), an important pharmaceutical compound known as aspirin. Using a diamond anvil cell (DAC), single crystals of the two polymorphic phases of aspirin existing at ambient conditions (ASA-I and ASA-II) were compressed to 10 GPa. We found that ASA-I does not transform to ASA-II, but instead transforms to a new phase (ASA-III) above ∼2 GPa. It is demonstrated that this transformation primarily introduces structural changes in the bonding and arrangement of the acetyl groups and is reversible upon the release of pressure. In contrast, a less dense ASA-II shows no transition in the pressure range studied, though it appears to exhibit a disordered structure above 7 GPa. Our results suggest that ASA-III is the most stable polymorph of aspirin at high pressures.

High-pressure behavior of A 2 B 2 O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr)

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

Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye

2017-01-24

In situ high-pressure X-ray diffraction and Raman spectroscopy were used to determine the influence of composition on the high-pressure behavior of A 2B 2O 7 pyrochlore (A = Eu, Dy; B = Ti, Zr) up to ~50 GPa. Based on X-ray diffraction results, all compositions transformed to the high-pressure cotunnite structure. The B-site cation species had a larger effect on the transition pressure than the A-site cation species, with the onset of the phase transformation occurring at ~41 GPa for B = Ti and ~16 GPa B = Zr. But, the A-site cation affected the kinetics of the phase transformation,more » with the transformation for compositions with the smaller ionic radii, i.e., A = Dy, proceeding faster than those with a larger ionic radii, i.e., A = Eu. Our results were consistent with previous work in which the radius-ratio of the A- and B-site cations determined the energetics of disordering, and compositions with more similarly sized A- and B-site cations had a lower defect formation energy. Raman spectra revealed differences in the degree of short-range order of the different compositions. Due to the large phase fraction of cotunnite at high pressure for B = Zr compositions, Raman modes for cotunnite could be observed, with more modes recorded for A = Eu than A = Dy. These additional modes are attributed to increased short-to-medium range ordering in the initially pyrochlore structured Eu 2Zr 2O 7 as compared with the initially defect-fluorite structured Dy 2Zr 2O 7.« less

High-pressure behavior of A 2 B 2 O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr)

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

Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye

2017-01-28

In situ high-pressure X-ray diffraction and Raman spectroscopy were used to determine the influence of composition on the high-pressure behavior of A 2B 2O 7 pyrochlore (A=Eu, Dy; B=Ti, Zr) up to ~50GPa. Based on X-ray diffraction results, all compositions transformed to the high-pressure cotunnite structure. The B-site cation species had a larger effect on the transition pressure than the A-site cation species, with the onset of the phase transformation occurring at ~41 GPa for B=Ti and ~16 GPa B=Zr. However, the A-site cation affected the kinetics of the phase transformation, with the transformation for compositions with the smaller ionicmore » radii, i.e., A=Dy, proceeding faster than those with a larger ionic radii, i.e., A=Eu. These results were consistent with previous work in which the radius-ratio of the A- and B-site cations determined the energetics of disordering, and compositions with more similarly sized A- and B-site cations had a lower defect formation energy. Raman spectra revealed differences in the degree of short-range order of the different compositions. Due to the large phase fraction of cotunnite at high pressure for B=Zr compositions, Raman modes for cotunnite could be observed, with more modes recorded for A=Eu than A=Dy. These additional modes are attributed to increased short-to-medium range ordering in the initially pyrochlore structured Eu 2Zr 2O 7 as compared with the initially defect-fluorite structured Dy 2Zr 2O 7.« less

Fourier Transform Infrared Absorption Spectroscopy of Gas-Phase and Surface Reaction Products during Si Etching in Inductively Coupled Cl2 Plasmas

NASA Astrophysics Data System (ADS)

Miyata, Hiroki; Tsuda, Hirotaka; Fukushima, Daisuke; Takao, Yoshinori; Eriguchi, Koji; Ono, Kouichi

2011-10-01

A better understanding of plasma-surface interactions is indispensable during etching, including the behavior of reaction or etch products, because the products on surfaces and in the plasma are important in passivation layer formation through their redeposition on surfaces. In practice, the nanometer-scale control of plasma etching would still rely largely on such passivation layer formation as well as ion-enhanced etching on feature surfaces. This paper presents in situ Fourier transform infrared (FTIR) absorption spectroscopy of gas-phase and surface reaction products during inductively coupled plasma (ICP) etching of Si in Cl2. The observation was made in the gas phase by transmission absorption spectroscopy (TAS), and also on the substrate surface by reflection absorption spectroscopy (RAS). The quantum chemical calculation was also made of the vibrational frequency of silicon chloride molecules. The deconvolution of the TAS spectrum revealed absorption features of Si2Cl6 and SiClx (x = 1-3) as well as SiCl4, while that of the RAS spectrum revealed relatively increased absorption features of unsaturated silicon chlorides. A different behavior was also observed in bias power dependence between the TAS and RAS spectra.

Alteration behavior of mineral structure and hazardous elements during combustion of coal from a power plant at Huainan, Anhui, China.

PubMed

Tang, Quan; Sheng, Wanqi; Li, Liyuan; Zheng, Liugen; Miao, Chunhui; Sun, Ruoyu

2018-08-01

The alteration behavior of minerals and hazardous elements during simulated combustion (100-1200 °C) of a raw coal collected from a power plant were studied. Thermogravimetric analysis indicated that there were mainly four alteration stages during coal combustion. The transformation behavior of mineral phases of raw coal, which were detected by X-ray polycrystalline diffraction (XRD) technique, mainly relied on the combustion temperature. A series of changes were derived from the intensities of mineral (e.g. clays) diffraction peaks when temperature surpassed 600 °C. Mineral phases tended to be simple and collapsed to amorphous glass when temperature reached up to 1200 °C. The characteristics of functional groups for raw coal and high-temperature (1200 °C) ash studied by Fourier transform infrared spectroscopy (FTIR) were in accordance with the result obtained from XRD analysis. The volatilization ratios of Co, Cr, Ni and V increased consistently with the increase of combustion temperature, suggesting these elements were gradually released from the organic matter and inorganic minerals of coal. Copyright © 2018 Elsevier Ltd. All rights reserved.

Hilbert and Blaschke phases in the temporal coherence function of stationary broadband light.

PubMed

Fernández-Pousa, Carlos R; Maestre, Haroldo; Torregrosa, Adrián J; Capmany, Juan

2008-10-27

We show that the minimal phase of the temporal coherence function gamma (tau) of stationary light having a partially-coherent symmetric spectral peak can be computed as a relative logarithmic Hilbert transform of its amplitude with respect to its asymptotic behavior. The procedure is applied to experimental data from amplified spontaneous emission broadband sources in the 1.55 microm band with subpicosecond coherence times, providing examples of degrees of coherence with both minimal and non-minimal phase. In the latter case, the Blaschke phase is retrieved and the position of the Blaschke zeros determined.

Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

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

Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li 2Sn 5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li 2Sn 5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffusemore » toward the Sn/Li 2Sn 5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li 2Sn 5 phase.« less

Martensite phase stress and the strengthening mechanism in TRIP steel by neutron diffraction.

PubMed

Harjo, Stefanus; Tsuchida, Noriyuki; Abe, Jun; Gong, Wu

2017-11-09

Two TRIP-aided multiphase steels with different carbon contents (0.2 and 0.4 mass%) were analyzed in situ during tensile deformation by time-of-flight neutron diffraction to clarify the deformation induced martensitic transformation behavior and its role on the strengthening mechanism. The difference in the carbon content affected mainly the difference in the phase fractions before deformation, where the higher carbon content increased the phase fraction of retained austenite (γ). However, the changes in the relative fraction of martensitic transformation with respect to the applied strain were found to be similar in both steels since the carbon concentrations in γ were similar regardless of different carbon contents. The phase stress of martensite was found much larger than that of γ or bainitic ferrite since the martensite was generated at the beginning of plastic deformation. Stress contributions to the flow stress were evaluated by multiplying the phase stresses and their phase fractions. The stress contribution from martensite was observed increasing during plastic deformation while that from bainitic ferrite hardly changing and that from γ decreasing.

Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

DOE PAGES

Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.

2017-08-02

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li 2Sn 5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li 2Sn 5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffusemore » toward the Sn/Li 2Sn 5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li 2Sn 5 phase.« less

Effect of point defects and disorder on structural phase transitions

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

Toulouse, J.

1997-06-01

Since the beginning in 1986, the object of this project has been Structural Phase Transitions (SPT) in real as opposed to ideal materials. The first stage of the study has been centered around the role of Point Defects in SPT`s. Our intent was to use the previous knowledge we had acquired in the study of point defects in non-transforming insulators and apply it to the study of point defects in insulators undergoing phase transitions. In non-transforming insulators, point defects, in low concentrations, marginally affect the bulk properties of the host. It is nevertheless possible by resonance or relaxation methods tomore » study the point defects themselves via their local motion. In transforming solids, however, close to a phase transition, atomic motions become correlated over very large distances; there, even point defects far removed from one another can undergo correlated motions which may strongly affect the transition behavior of the host. Near a structural transition, the elastic properties win be most strongly affected so as to either raise or decrease the transition temperature, prevent the transition from taking place altogether, or simply modify its nature and the microstructure or domain structure of the resulting phase. One of the well known practical examples is calcium-stabilized zirconia in which the high temperature cubic phase is stabilized at room temperature with greatly improved mechanical properties.« less

Dehydration and dehydroxylation of C-S-H phases synthesized on silicon wafers

NASA Astrophysics Data System (ADS)

Giraudo, Nicolas; Bergdolt, Samuel; Laye, Fabrice; Krolla, Peter; Lahann, Joerg; Thissen, Peter

2018-03-01

In this work, the synthesis of specific ultrathin Calcium-Silicate-Hydrate (C-S-H) phases on silicon wafers and their transformation into C-S phases is achieved. Specific mineral phases are identified, and the synthesis is successful controlled. Samples are investigated by means of Fourier Transform Infrared (FTIR) spectroscopy and X-ray Diffraction (XRD) and the results are analyzed based on first-principles calculations. When C-S-H phases are transformed into C-S phases, only a few reflexes are detected on XRD, and the coherent scattering domains decrease with the increment of the temperature and time of exposure. This behavior is explained by the Ca/Si changes, which are identified by changes in the FTIR spectra. A thermodynamic analysis is performed with the help of first-principles calculations to underline the influence of the calcium-to-silicon (Ca/Si) ratio in the process of dehydroxylation. To increase the Ca/Si ratio water is partially substituted by methanol at the synthesis. This is observed in the FTIR spectra and is confirmed by lower temperatures of dehydroxylation. The catalytic nature of calcium towards the dehydroxylation is confirmed. The core of this work lies in the preparation of a model, which perfection makes possible to model reactivity, stability and mechanical properties using first-principles calculations, and is the starting point for the synthesis of many others.

Temperature-modulated DSC provides new insight about nickel-titanium wire transformations.

PubMed

Brantley, William A; Iijima, Masahiro; Grentzer, Thomas H

2003-10-01

Differential scanning calorimetry (DSC) is a well-known method for investigating phase transformations in nickel-titanium orthodontic wires; the microstructural phases and phase transformations in these wires have central importance for their clinical performance. The purpose of this study was to use the more recently developed technique of temperature-modulated DSC (TMDSC) to gain insight into transformations in 3 nickel-titanium orthodontic wires: Neo Sentalloy (GAC International, Islandia, NY), 35 degrees C Copper Ni-Ti (Ormco, Glendora, Calif) and Nitinol SE (3M Unitek, Monrovia, Calif). In the oral environment, the first 2 superelastic wires have shape memory, and the third wire has superelastic behavior but not shape memory. All wires had cross-section dimensions of 0.016 x 0.022 in. Archwires in the as-received condition and after bending 135 degrees were cut into 5 or 6 segments for test specimens. TMDSC analyses (Model 2910 DSC, TA Instruments, Wilmington, Del) were conducted between -125 degrees C and 100 degrees C, using a linear heating and cooling rate of 2 degrees C per min, an oscillation amplitude of 0.318 degrees C with a period of 60 seconds, and helium as the purge gas. For all 3 wire alloys, strong low-temperature martensitic transformations, resolved on the nonreversing heat-flow curves, were not present on the reversing heat-flow curves, and bending appeared to increase the enthalpy change for these peaks in some cases. For Neo Sentalloy, TMDSC showed that transformation between martensitic and austenitic nickel-titanium, suggested as occurring directly in the forward and reverse directions by conventional DSC, was instead a 2-step process involving the R-phase. Two-step transformations in the forward and reverse directions were also found for 35 degrees C Copper Ni-Ti and Nitinol SE. The TMDSC results show that structural transformations in these wires are complex. Some possible clinical implications of these observations are discussed.

Unravelling the origin of irreversible capacity loss in NaNiO 2 for high voltage sodium ion batteries

DOE PAGES

Wang, Liguang; Wang, Jiajun; Zhang, Xiaoyi; ...

2017-02-24

Layered transition metal compounds have attracted much attention due to their high theoretical capacity and energy density for sodium ion batteries. However, this kind of material suffers from serious irreversible capacity decay during the charge and discharge process. Here, using synchrotron-based operando transmission X-ray microscopy and high-energy X-ray diffraction combined with electrochemical measurements, the visualization of the dissymmetric phase transformation and structure evolution mechanism of layered NaNiO 2 material during initial charge and discharge cycles are clarified. Phase transformation and deformation of NaNiO 2 during the voltage range of below 3.0 V and over 4.0 V are responsible for themore » irreversible capacity loss during the first cycling, which is also confirmed by the evolution of reaction kinetics behavior obtained by the galvanostatic intermittent titration technique. Lastly, these findings reveal the origin of the irreversibility of NaNiO 2 and offer valuable insight into the phase transformation mechanism, which will provide underlying guidance for further development of high-performance sodium ion batteries.« less

Unravelling the origin of irreversible capacity loss in NaNiO 2 for high voltage sodium ion batteries

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

Wang, Liguang; Wang, Jiajun; Zhang, Xiaoyi

Layered transition metal compounds have attracted much attention due to their high theoretical capacity and energy density for sodium ion batteries. However, this kind of material suffers from serious irreversible capacity decay during the charge and discharge process. Here, using synchrotron-based operando transmission X-ray microscopy and high-energy X-ray diffraction combined with electrochemical measurements, the visualization of the dissymmetric phase transformation and structure evolution mechanism of layered NaNiO 2 material during initial charge and discharge cycles are clarified. Phase transformation and deformation of NaNiO 2 during the voltage range of below 3.0 V and over 4.0 V are responsible for themore » irreversible capacity loss during the first cycling, which is also confirmed by the evolution of reaction kinetics behavior obtained by the galvanostatic intermittent titration technique. Lastly, these findings reveal the origin of the irreversibility of NaNiO 2 and offer valuable insight into the phase transformation mechanism, which will provide underlying guidance for further development of high-performance sodium ion batteries.« less

Unravelling the origin of irreversible capacity loss in NaNiO 2 for high voltage sodium ion batteries

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

Wang, Liguang; Wang, Jiajun; Zhang, Xiaoyi

Layered transition metal compounds have attracted much attention due to their high theoretical capacity and energy density for sodium ion batteries. However, this kind of material suffers from serious irreversible capacity decay during the charge and discharge process. Here, using synchrotron-based operando transmission X-ray microscopy and high-energy X-ray diffraction combined with electrochemical measurements, the visualization of the dissymmetric phase transformation and structure evolution mechanism of layered NaNiO2 material during initial charge and discharge cycles are clarified. Phase transformation and deformation of NaNiO2 during the voltage range of below 3.0 V and over 4.0 V are responsible for the irreversible capacitymore » loss during the first cycling, which is also confirmed by the evolution of reaction kinetics behavior obtained by the galvanostatic intermittent titration technique. These findings reveal the origin of the irreversibility of NaNiO2 and offer valuable insight into the phase transformation mechanism, which will provide underlying guidance for further development of high-performance sodium ion batteries.« less

Temporal Variation of the Rotation of the Solar Mean Magnetic Field

NASA Astrophysics Data System (ADS)

Xie, J. L.; Shi, X. J.; Xu, J. C.

2017-04-01

Based on continuous wavelet transformation analysis, the daily solar mean magnetic field (SMMF) from 1975 May 16 to 2014 July 31 is analyzed to reveal its rotational behavior. Both the recurrent plot in Bartels form and the continuous wavelet transformation analysis show the existence of rotational modulation in the variation of the daily SMMF. The dependence of the rotational cycle lengths on solar cycle phase is also studied, which indicates that the yearly mean rotational cycle lengths generally seem to be longer during the rising phase of solar cycles and shorter during the declining phase. The mean rotational cycle length for the rising phase of all of the solar cycles in the considered time is 28.28 ± 0.67 days, while for the declining phase it is 27.32 ± 0.64 days. The difference of the mean rotational cycle lengths between the rising phase and the declining phase is 0.96 days. The periodicity analysis, through the use of an auto-correlation function, indicates that the rotational cycle lengths have a significant period of about 10.1 years. Furthermore, the cross-correlation analysis indicates that there exists a phase difference between the rotational cycle lengths and solar activity.

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

Xie, J. L.; Shi, X. J.; Xu, J. C., E-mail: xiejinglan@ynao.ac.cn

Based on continuous wavelet transformation analysis, the daily solar mean magnetic field (SMMF) from 1975 May 16 to 2014 July 31 is analyzed to reveal its rotational behavior. Both the recurrent plot in Bartels form and the continuous wavelet transformation analysis show the existence of rotational modulation in the variation of the daily SMMF. The dependence of the rotational cycle lengths on solar cycle phase is also studied, which indicates that the yearly mean rotational cycle lengths generally seem to be longer during the rising phase of solar cycles and shorter during the declining phase. The mean rotational cycle lengthmore » for the rising phase of all of the solar cycles in the considered time is 28.28 ± 0.67 days, while for the declining phase it is 27.32 ± 0.64 days. The difference of the mean rotational cycle lengths between the rising phase and the declining phase is 0.96 days. The periodicity analysis, through the use of an auto-correlation function, indicates that the rotational cycle lengths have a significant period of about 10.1 years. Furthermore, the cross-correlation analysis indicates that there exists a phase difference between the rotational cycle lengths and solar activity.« less

Phase Transformation Behavior of Medium Manganese Steels with 3 Wt Pct Aluminum and 3 Wt Pct Silicon During Intercritical Annealing

NASA Astrophysics Data System (ADS)

Sun, Binhan; Fazeli, Fateh; Scott, Colin; Yue, Stephen

2016-10-01

Medium manganese steels alloyed with sufficient aluminum and silicon amounts contain high fractions of retained austenite adjustable to various transformation-induced plasticity/twinning-induced plasticity effects, in addition to a reduced density suitable for lightweight vehicle body-in-white assemblies. Two hot rolled medium manganese steels containing 3 wt pct aluminum and 3 wt pct silicon were subjected to different annealing treatments in the present study. The evolution of the microstructure in terms of austenite transformation upon reheating and the subsequent austenite decomposition during quenching was investigated. Manganese content of the steels prevailed the microstructural response. The microstructure of the leaner alloy with 7 wt pct Mn (7Mn) was substantially influenced by the annealing temperature, including the variation of phase constituents, the morphology and composition of intercritical austenite, the Ms temperature and the retained austenite fraction. In contrast, the richer variant 10 wt pct Mn steel (10Mn) exhibited a substantially stable ferrite-austenite duplex phase microstructure containing a fixed amount of retained austenite which was found to be independent of the variations of intercritical annealing temperature. Austenite formation from hot band ferrite-pearlite/bainite mixtures was very rapid during annealing at 1273 K (1000 °C), regardless of Mn contents. Austenite growth was believed to be controlled at early stages by carbon diffusion following pearlite/bainite dissolution. The redistribution of Mn in ferrite and particularly in austenite at later stages was too subtle to result in a measureable change in austenite fraction. Further, the hot band microstructure of both steels contained a large fraction of coarse-grained δ-ferrite, which remained almost unchanged during intercritical annealing. A recently developed thermodynamic database was evaluated using the experimental data. The new database achieved a better agreement with the experimental results for the 7Mn steel compared with the existing commercial TCFE database; however, some discrepancy in the predicted phase fractions and compositions still existed. The phase transformation behavior of the two steels during annealing and its implication on the design of high aluminum-silicon medium manganese steels were discussed in detail.

In-Situ TEM-STM Observations of SWCNT Ropes/Tubular Transformations

NASA Technical Reports Server (NTRS)

Sola, F.; Lebron-Colon, M.; Ferreira, P. J.; Fonseca, L. F.; Meador, M. A.; Marin, C.

2010-01-01

Single-walled carbon nanotubes (SWCNTs) prepared by the HiPco process were purified using a modified gas phase purification technique. A TEM-STM holder was used to study the morphological changes of SWCNT ropes as a function of applied voltage. Kink formation, buckling behavior, tubular transformation and eventual breakdown of the system were observed. The tubular formation was attributed to a transformation from SWCNT ropes to multi-walled carbon nanotube (MWCNT) structures. It is likely mediated by the patching and tearing mechanism which is promoted primarily by the mobile vacancies generated due to current-induced heating and, to some extent, by electron irradiation.

Deformation behavior of austenitic stainless steel at deep cryogenic temperatures

NASA Astrophysics Data System (ADS)

Han, Wentuo; Liu, Yuchen; Wan, Farong; Liu, Pingping; Yi, Xiaoou; Zhan, Qian; Morrall, Daniel; Ohnuki, Somei

2018-06-01

The nonmagnetic austenite steels are the jacket materials for low-temperature superconductors of fusion reactors. The present work provides evidences that austenites transform to magnetic martensite when deformation with a high-strain is imposed at 77 K and 4.2 K. The 4.2 K test is characterized by serrated yielding that is related to the specific motion of dislocations and phase transformations. The in-situ transmission electron microscope (TEM) observations in nanoscale reveal that austenites achieve deformation by twinning under low-strain conditions at deep cryogenic temperatures. The generations of twins, martensitic transformations, and serrated yielding are in order of increasing difficulty.

Navigating behavioral energy sufficiency. Results from a survey in Swiss cities on potential behavior change

PubMed Central

Moser, Corinne; Blumer, Yann

2017-01-01

Many countries have some kind of energy-system transformation either planned or ongoing for various reasons, such as to curb carbon emissions or to compensate for the phasing out of nuclear energy. One important component of these transformations is the overall reduction in energy demand. It is generally acknowledged that the domestic sector represents a large share of total energy consumption in many countries. Increased energy efficiency is one factor that reduces energy demand, but behavioral approaches (known as “sufficiency”) and their respective interventions also play important roles. In this paper, we address citizens’ heterogeneity regarding both their current behaviors and their willingness to realize their sufficiency potentials—that is, to reduce their energy consumption through behavioral change. We collaborated with three Swiss cities for this study. A survey conducted in the three cities yielded thematic sets of energy-consumption behavior that various groups of participants rated differently. Using this data, we identified four groups of participants with different patterns of both current behaviors and sufficiency potentials. The paper discusses intervention types and addresses citizens’ heterogeneity and behaviors from a city-based perspective. PMID:29016642

Radiation-induced disorder in compressed lanthanide zirconates.

PubMed

Park, Sulgiye; Tracy, Cameron L; Zhang, Fuxiang; Park, Changyong; Trautmann, Christina; Tkachev, Sergey N; Lang, Maik; Mao, Wendy L; Ewing, Rodney C

2018-02-28

The effects of swift heavy ion irradiation-induced disordering on the behavior of lanthanide zirconate compounds (Ln 2 Zr 2 O 7 where Ln = Sm, Er, or Nd) at high pressures are investigated. After irradiation with 2.2 GeV 197 Au ions, the initial ordered pyrochlore structure (Fd3[combining macron]m) transformed to a defect-fluorite structure (Fm3[combining macron]m) in Sm 2 Zr 2 O 7 and Nd 2 Zr 2 O 7 . For irradiated Er 2 Zr 2 O 7 , which has a defect-fluorite structure, ion irradiation induces local disordering by introducing Frenkel defects despite retention of the initial structure. When subjected to high pressures (>29 GPa) in the absence of irradiation, all of these compounds transform to a cotunnite-like (Pnma) phase, followed by sluggish amorphization with further compression. However, if these compounds are irradiated prior to compression, the high pressure cotunnite-like phase is not formed. Rather, they transform directly from their post-irradiation defect-fluorite structure to an amorphous structure upon compression (>25 GPa). Defects and disordering induced by swift heavy ion irradiation alter the transformation pathways by raising the energetic barriers for the transformation to the high pressure cotunnite-like phase, rendering it inaccessible. As a result, the high pressure stability field of the amorphous phase is expanded to lower pressures when irradiation is coupled with compression. The responses of materials in the lanthanide zirconate system to irradiation and compression, both individually and in tandem, are strongly influenced by the specific lanthanide composition, which governs the defect energetics at extreme conditions.

A computational study of diffusion in a glass-forming metallic liquid

DOE PAGES

Wang, T.; Zhang, F.; Yang, L.; ...

2015-06-09

In this study, liquid phase diffusion plays a critical role in phase transformations (e.g. glass transformation and devitrification) observed in marginal glass forming systems such as Al-Sm. Controlling transformation pathways in such cases requires a comprehensive description of diffusivity, including the associated composition and temperature dependencies. In our computational study, we examine atomic diffusion in Al-Sm liquids using ab initio molecular dynamics (AIMD) and determine the diffusivities of Al and Sm for selected alloy compositions. Non-Arrhenius diffusion behavior is observed in the undercooled liquids with an enhanced local structural ordering. Through assessment of our AIMD result, we construct a generalmore » formulation for Al-Sm liquid, involving a diffusion mobility database that includes composition and temperature dependence. A Volmer-Fulcher-Tammann (VFT) equation is adopted for describing the non-Arrhenius behavior observed in the undercooled liquid. Furthermore, the composition dependence of diffusivity is found quite strong, even for the Al-rich region contrary to the sole previous report on this binary system. The model is used in combination with the available thermodynamic database to predict specific diffusivities and compares well with reported experimental data for 0.6 at.% and 5.6 at.% Sm in Al-Sm alloys.« less

Phase Transformation Evolution in NiTi Shape Memory Alloy under Cyclic Nanoindentation Loadings at Dissimilar Rates

PubMed Central

Amini, Abbas; Cheng, Chun; Kan, Qianhua; Naebe, Minoo; Song, Haisheng

2013-01-01

Hysteresis energy decreased significantly as nanocrystalline NiTi shape memory alloy was under triangular cyclic nanoindentation loadings at high rate. Jagged curves evidenced discrete stress relaxations. With a large recovery state of maximum deformation in each cycle, this behavior concluded in several nucleation sites of phase transformation in stressed bulk. Additionally, the higher initial propagation velocity of interface and thermal activation volume, and higher levels of phase transition stress in subsequent cycles explained the monotonic decreasing trend of dissipated energy. In contrast, the dissipated energy showed an opposite increasing trend during triangular cyclic loadings at a low rate and 60 sec holding time after each unloading stage. Due to the isothermal loading rate and the holding time, a major part of the released latent heat was transferred during the cyclic loading resulting in an unchanged phase transition stress. This fact with the reorientation phenomenon explained the monotonic increasing trend of hysteresis energy. PMID:24336228

Molecular Dynamics Modeling and Simulation of Diamond Cutting of Cerium.

PubMed

Zhang, Junjie; Zheng, Haibing; Shuai, Maobing; Li, Yao; Yang, Yang; Sun, Tao

2017-12-01

The coupling between structural phase transformations and dislocations induces challenges in understanding the deformation behavior of metallic cerium at the nanoscale. In the present work, we elucidate the underlying mechanism of cerium under ultra-precision diamond cutting by means of molecular dynamics modeling and simulations. The molecular dynamics model of diamond cutting of cerium is established by assigning empirical potentials to describe atomic interactions and evaluating properties of two face-centered cubic cerium phases. Subsequent molecular dynamics simulations reveal that dislocation slip dominates the plastic deformation of cerium under the cutting process. In addition, the analysis based on atomic radial distribution functions demonstrates that there are trivial phase transformations from the γ-Ce to the δ-Ce occurred in both machined surface and formed chip. Following investigations on machining parameter dependence reveal the optimal machining conditions for achieving high quality of machined surface of cerium.

Molecular Dynamics Modeling and Simulation of Diamond Cutting of Cerium

NASA Astrophysics Data System (ADS)

Zhang, Junjie; Zheng, Haibing; Shuai, Maobing; Li, Yao; Yang, Yang; Sun, Tao

2017-07-01

The coupling between structural phase transformations and dislocations induces challenges in understanding the deformation behavior of metallic cerium at the nanoscale. In the present work, we elucidate the underlying mechanism of cerium under ultra-precision diamond cutting by means of molecular dynamics modeling and simulations. The molecular dynamics model of diamond cutting of cerium is established by assigning empirical potentials to describe atomic interactions and evaluating properties of two face-centered cubic cerium phases. Subsequent molecular dynamics simulations reveal that dislocation slip dominates the plastic deformation of cerium under the cutting process. In addition, the analysis based on atomic radial distribution functions demonstrates that there are trivial phase transformations from the γ-Ce to the δ-Ce occurred in both machined surface and formed chip. Following investigations on machining parameter dependence reveal the optimal machining conditions for achieving high quality of machined surface of cerium.

Synthesis of iron oxide nanorods via chemical scavenging and phase transformations of intermediates at ambient conditions

NASA Astrophysics Data System (ADS)

Deshmukh, Ruchi; Mehra, Anurag; Thaokar, Rochish

2017-01-01

Chemically induced shape transformations of isotropic seeds, comprised of iron oxyhydroxides and iron oxide borate into nanorods, is reported. Transient growth studies show that the nanorods are formed via phase transformation and aggregation of various metastable species. Addition of tetra- methyl-ammonium hydroxide (TMAH) to the in situ synthesized seeds ensures a typical reaction pathway that favors formation of magnetite (Fe 3 O 4) via the steps of chemical etching, phase transformation of intermediates, and crystal consolidation. Whereas, with addition of sodium hydroxide (NaOH), either magnetite (Fe 3 O 4) or a mixture of ( γ-Fe 2 O 3 + α-FeOOH) is obtained. The shape with both the additives is always that of nanorods. When the seeds treated with TMAH were aged in an ultrasonication bath, rods with almost twice the length and diameter (length = 2800 nm, diameter = 345 nm) are obtained as compared to the sample aged without ultrasonication (length = 1535 nm, diameter = 172 nm). The morphology of nanostructures depending upon other experimental conditions such as, aging the sample at 60 ∘C, seeds synthesized under ultrasonication/ stirring or externally added are also examined and discussed in detail. All the samples show high coercivity and strong ferromagnetic behavior at room temperature and should be promising candidates as ferro-fluids for various applications.

Development of engineering components having dual functionality

NASA Astrophysics Data System (ADS)

Thompson, L. D.; Waldbusser, R.; Pratt, E.

2000-05-01

This paper describes the engineering research and development of a smart aircraft bolt designed for high-tension wing attachment applications on USAF C-130 cargo planes. The bolt is a load-carrying structural component as well as serving as a damage sensor. The bolt material choice is TRIP (Transformation Induced Plasticity) steel; high-strength, metastable austenitic steel that gradually and irreversibly transforms to martensite during deformation. The martensite is ferromagnetic whereas the parent austenite phase is paramagnetic, having no significant ferromagnetic response. The ferromagnetic signature of the bolt can be correlated to the peak deformation strain and further correlated with the peak damage state. Stress-assisted phase transformations occur within the elastic regime while strain-induced transformations occur in the post-yield regime. Both transformation variants produce easily detected signals that can be readily monitored. A review of the nature of TRIP steel materials, their properties and behavior, and the smart bolt design approach is presented with examples of the quantitative output obtained during simulated laboratory testing. A brief discussion of the detection electronics and interrogation system is provided to familiarize the audience with the technical issues encompassing this technology. Preliminary results from field testing and service experience are reviewed.

Thermal behavior of silicone rubber-based ceramizable composites characterized by Fourier transform infrared (FT-IR) spectroscopy and microcalorimetry.

PubMed

Anyszka, Rafał; Bieliński, Dariusz M; Jędrzejczyk, Marcin

2013-12-01

Ceramizable (ceramifiable) silicone rubber-based composites are commonly used for cable insulation. These materials are able to create a protective ceramic layer during fire due to the ceramization process, which occurs at high temperature. When the temperature is increased, the polymer matrix is degraded and filler particles stick together by the fluxing agent, producing a solid, continuous ceramic phase that protects the copper wire from heat and mechanical stress. Despite increasing interest in these materials that has resulted in growing applications in the cable industry, their thermal behavior and ceramization process are still insufficiently described in the literature. In this paper, the thermal behavior of ceramizable silicone rubber-based composites is studied using microcalorimetry and Fourier transform infrared spectroscopy. The analysis of the experimental data made it possible to develop complete information on the mechanism of composite ceramization.

Phase transformations, anisotropic pyroelectric energy harvesting and electrocaloric properties of (Pb,La)(Zr,Sn,Ti)O3 single crystals.

PubMed

Zhuo, Fangping; Li, Qiang; Gao, Jinghan; Yan, Qingfeng; Zhang, Yiling; Xi, Xiaoqing; Chu, Xiangcheng

2017-05-31

(Pb,La)(Zr,Sn,Ti)O 3 (PLZST) single crystals with their chemical composition located at the tetragonal antiferroelectric region are grown via the flux method in a PbO-PbF 2 -B 2 O 3 mixture. Segregation of the Ti 4+ component in the as-grown crystals is observed due to the strong affinity between the oxygen anion and Ti 4+ ions. The critical electric field of the antiferroelectric to ferroelectric phase transition is determined to be about 0.5 kV mm -1 . The electric field induced ferroelectric phase transforms back into the antiferroelectric phase at a depolarization temperature of 125 °C. Anisotropy of the harvested energy density and electrocaloric behaviors are achieved for the [100], [110] and [111]-oriented PLZST crystals. Based on the thermodynamic theory approach, all the abovementioned behaviors originate from the anisotropic total entropy change. Enhanced electrocaloric strength (0.3 K mm kV -1 ) and the harvested energy density of 0.62 J cm -3 are obtained in the [111]-oriented PLZST crystals. Our results demonstrate the competence of PLZST single crystals for cooling devices and pyroelectric energy harvesting and provide new opportunities to improve energy harvesting density and electrocaloric properties via the anisotropic structural layout, which make the PLZST crystals attractive for solid state cooling devices and energy conversion technologies.

Magnetic and conventional shape memory behavior of Mn-Ni-Sn and Mn-Ni-Sn(Fe) alloys

NASA Astrophysics Data System (ADS)

Turabi, A. S.; Lázpita, P.; Sasmaz, M.; Karaca, H. E.; Chernenko, V. A.

2016-05-01

Magnetic and conventional shape memory properties of Mn49Ni42Sn9(at.%) and Mn49Ni39Sn9Fe3(at.%) polycrystalline alloys exhibiting martensitic transformation from ferromagnetic austenite into weakly magnetic martensite are characterized under compressive stress and magnetic field. Magnetization difference between transforming phases drastically increases, while transformation temperature decreases with the addition of Fe. Both Mn49Ni42Sn9 and Mn49Ni39Sn9Fe3 alloys show remarkable superelastic and shape memory properties with recoverable strain of 4% and 3.5% under compression at room temperature, respectively. These characteristics can be counted as extraordinary among the polycrystalline NiMn-based magnetic shape memory alloys. Critical stress for phase transformation was increased by 34 MPa in Mn49Ni39Sn9Fe3 and 21 MPa in Mn49Ni42Sn9 at 9 T, which can be qualitatively understood in terms of thermodynamic Clausius-Clapeyron relationships and in the framework of the suggested physical concept of a volume magnetostress.

Small-angle neutron scattering study of magnetic ordering and inhomogeneity across the martensitic phase transformation in Ni 50–xCo xMn₄₀Sn₁₀ alloys

DOE PAGES

Bhatti, Kanwal Preet; El-Khatib, S.; Srivastava, Vijay; ...

2012-04-27

The Heusler-derived multiferroic alloy Ni 50–xCo xMn₄₀Sn₁₀ has recently been shown to exhibit, at just above room temperature, a highly reversible martensitic phase transformation with an unusually large magnetization change. In this work the nature of the magnetic ordering above and below this transformation has been studied in detail in the critical composition range x = 6–8 via temperature-dependent (5–600 K) magnetometry and small-angle neutron scattering (SANS). We observe fairly typical paramagnetic to long-range-ordered ferromagnetic phase transitions on cooling to 420–430 K, with the expected critical spin fluctuations, followed by first-order martensitic phase transformations to a nonferromagnetic state below 360–390more » K. The static magnetization reveals complex magnetism in this low-temperature nonferromagnetic phase, including a Langevin-like field dependence, distinct spin freezing near 60 K, and significant exchange bias effects, consistent with superparamagnetic blocking of ferromagnetic clusters of nanoscopic dimensions. We demonstrate that these spin clusters, whose existence has been hypothesized in a variety of martensitic alloys exhibiting competition between ferromagnetic and antiferromagnetic exchange interactions, can be directly observed by SANS. The scattering data are consistent with a liquidlike spatial distribution of interacting magnetic clusters with a mean center-to-center spacing of 12 nm. Considering the behavior of the superparmagnetism, cooling-field and temperature-dependent exchange bias, and magnetic SANS, we discuss in detail the physical form and origin of these spin clusters, their intercluster interactions, the nature of the ground-state magnetic ordering in the martensitic phase, and the implications for our understanding of such alloy systems.« less

Real-time visualization of soliton molecules with evolving behavior in an ultrafast fiber laser

NASA Astrophysics Data System (ADS)

Liu, Meng; Li, Heng; Luo, Ai-Ping; Cui, Hu; Xu, Wen-Cheng; Luo, Zhi-Chao

2018-03-01

Ultrafast fiber lasers have been demonstrated to be great platforms for the investigation of soliton dynamics. The soliton molecules, as one of the most fascinating nonlinear phenomena, have been a hot topic in the field of nonlinear optics in recent years. Herein, we experimentally observed the real-time evolving behavior of soliton molecule in an ultrafast fiber laser by using the dispersive Fourier transformation technology. Several types of evolving soliton molecules were obtained in our experiments, such as soliton molecules with monotonically or chaotically evolving phase, flipping and hopping phase. These results would be helpful to the communities interested in soliton nonlinear dynamics as well as ultrafast laser technologies.

Different Effect of Co on the Formation of Topologically Close-Packed Phases in Ni-Cr-Mo and Ni-Cr-Re Alloys

NASA Astrophysics Data System (ADS)

Shi, Qianying; An, Ning; Huo, Jiajie; Ding, Xianfei; Zheng, Yunrong; Feng, Qiang

2017-11-01

In current study, two sets of Ni-based alloys (Ni-Cr-Mo and Ni-Cr-Re series) containing 0 to 15 at. pct of Co addition were investigated to understand the formation behavior of TCP phases. Significant difference on the formation behavior of TCP phases and corresponding Co effect was found in two series alloys. TCP precipitates ( P and µ phase) were observed in both grain interiors and boundaries in Ni-Cr-Mo series alloys. Higher levels of Co addition increased the supersaturation of Mo in the γ matrix, which explained that Co addition promoted µ phase formation. In contrast, the TCP precipitates ( σ phase) formed by the manner of discontinuous precipitation transformation in the grain boundaries in Ni-Cr-Re series alloys. More Co additions suppressed the formation of σ phase, which was mainly attributed to the decreased supersaturation of Re in thermodynamically metastable γ matrix. The information obtained from simplified alloy systems in this study is helpful for the design of multicomponent Ni-based superalloys.

Microstructure–property relationships in a high-strength 51Ni–29Ti–20Hf shape memory alloy

DOE PAGES

Coughlin, D. R.; Casalena, L.; Yang, F.; ...

2015-09-18

NiTiHf alloys exhibit remarkable shape memory and pseudoelastic properties that are of fundamental interest to a growing number of industries. In this study, differential scanning calorimetry and isothermal compression tests have revealed that the 51Ni–29Ti–20Hf alloy has useful shape memory properties that include a wide range of transformation temperatures as well as highly stable pseudoelastic behavior. These properties are governed by short-term aging conditions, which may be tailored to control transformation temperatures while giving rise to exceptionally high austenite yield strengths which aid transformation stability. The yield strength of the austenite phase can reach 2.1 GPa by aging for 3hrsmore » at 500°C, while aging for 3hrs at 700°C produced an alloy with an austenite finish temperature (A f ) of 146°C. High-resolution scanning transmission electron microscopy has revealed a new precipitate phase, H-phase, under the homogenized and extruded condition and the aged 3 hrs at 500°C condition, but only the previously identified H-phase precipitate was observed after aging at temperatures of 600°C and 700°C for 3 hrs. Finally, dislocation analysis indicated that plastic deformation of the austenite phase occurred by <100> type slip, similar to that observed in binary NiTi.« less

Study on dealkalization and settling performance of red mud.

PubMed

Luo, Muxi; Qi, Xuejiao; Zhang, Yurui; Ren, Yufei; Tong, Jiacheng; Chen, Zining; Hou, Yiming; Yeerkebai, Nuerxiate; Wang, Hongtao; Feng, Shijin; Li, Fengting

2017-01-01

At present, the dealkalization and comprehensive utilization of red mud is a worldwide problem. Studies on the settling performance and phase transformation of red mud by HCl, CaO, and H 2 O leaching are limited. In this study, the characteristics of red mud were systematically analyzed. The average sizes of graded and initial red mud were 4.11 and 9.20 μm, respectively. X-ray diffraction (XRD), X-ray fluorescence spectra (XRF), and thermogravimetry-differential scanning calorimetry (TG-DSC) results indicated the different mineralogical phases, composition, and thermal behavior. The addition of HCl could neutralize the alkalization in the red mud slurry, and CaO could replace the Na and K. Notably, the pH of the red mud slurry had no obvious change with the increase in water washing times in a certain pH. Interestingly, soluble Al and Fe were not detected in the HCl-red mud and CaO-red mud. In addition, the settling ratio was used to express the settling performance of the red mud slurry. Their interaction mechanisms were proposed, which may include phase transformation and the changing of the size and surface area. The research provided a better understanding of the phase transformation and settling performance in the treatment of red mud by HCl, CaO, and H 2 O leaching.

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

Differential scanning calorimetric and Fourier transform infrared spectroscopic studies of the effects of cholesterol on the thermotropic phase behavior and organization of a homologous series of linear saturated phosphatidylserine bilayer membranes.

PubMed Central

McMullen, T P; Lewis, R N; McElhaney, R N

2000-01-01

We have examined the effects of cholesterol on the thermotropic phase behavior and organization of aqueous dispersions of a homologous series of linear disaturated phosphatidylserines by high-sensitivity differential scanning calorimetry and Fourier transform infrared spectroscopy. We find that the incorporation of increasing quantities of cholesterol progressively reduces the temperature, enthalpy, and cooperativity of the gel-to-liquid-crystalline phase transition of the host phosphatidylserine bilayer, such that a cooperative chain-melting phase transition is completely or almost completely abolished at 50 mol % cholesterol, in contrast to the results of previous studies. We are also unable to detect the presence of a separate anhydrous cholesterol or cholesterol monohydrate phase in our binary mixtures, again in contrast to previous reports. We further show that the magnitude of the reduction in the phase transition temperature induced by cholesterol addition is independent of the hydrocarbon chain length of the phosphatidylserine studied. This result contrasts with our previous results with phosphatidylcholine bilayers, where we found that cholesterol increases or decreases the phase transition temperature in a chain length-dependent manner (1993. Biochemistry, 32:516-522), but is in agreement with our previous results for phosphatidylethanolamine bilayers, where no hydrocarbon chain length-dependent effects were observed (1999. Biochim. Biophys. Acta, 1416:119-234). However, the reduction in the phase transition temperature by cholesterol is of greater magnitude in phosphatidylethanolamine as compared to phosphatidylserine bilayers. We also show that the addition of cholesterol facilitates the formation of the lamellar crystalline phase in phosphatidylserine bilayers, as it does in phosphatidylethanolamine bilayers, whereas the formation of such phases in phosphatidylcholine bilayers is inhibited by the presence of cholesterol. We ascribe the limited miscibility of cholesterol in phosphatidylserine bilayers reported previously to a fractional crystallization of the cholesterol and phospholipid phases during the removal of organic solvent from the binary mixture before the hydration of the sample. In general, the results of our studies to date indicate that the magnitude of the effect of cholesterol on the thermotropic phase behavior of the host phospholipid bilayer, and its miscibility in phospholipid dispersions generally, depend on the strength of the attractive interactions between the polar headgroups and the hydrocarbon chains of the phospholipid molecule, and not on the charge of the polar headgroups per se. PMID:11023909

Copper-silicon-magnesium alloys for latent heat storage

DOE PAGES

Gibbs, P. J.; Withey, E. A.; Coker, E. N.; ...

2016-06-21

The systematic development of microstructure, solidification characteristics, and heat of solidification with composition in copper-silicon-magnesium alloys for thermal energy storage is presented. Differential scanning calorimetry was used to relate the thermal characteristics to microstructural development in the investigated alloys and clarifies the location of one of the terminal three-phase eutectics. Repeated thermal cycling highlights the thermal storage stability of the transformation through multiple melting events. In conclusion, two near-terminal eutectic alloys display high enthalpies of solidification, relatively narrow melting ranges, and stable transformation hysteresis behaviors suited to thermal energy storage.

Dynamical property analysis of fractionally damped van der pol oscillator and its application

NASA Astrophysics Data System (ADS)

Zhong, Qiuhui; Zhang, Chunrui

2012-01-01

In this paper, the fractionally damped van der pol equation was studied. Firstly, the fractionally damped van der pol equation was transformed into a set of integer order equations. Then the Lyapunov exponents diagram was given. Secondly, it was transformed into a set of fractional integral equations and solved by a predictor-corrector method. The time domain diagrams and phase trajectory were used to describe the dynamic behavior. Finally, the fractionally damped van der pol equation was used to detect a weak signal.

Behavior of Sn atoms in GeSn thin films during thermal annealing: Ex-situ and in-situ observations

NASA Astrophysics Data System (ADS)

Takase, Ryohei; Ishimaru, Manabu; Uchida, Noriyuki; Maeda, Tatsuro; Sato, Kazuhisa; Lieten, Ruben R.; Locquet, Jean-Pierre

2016-12-01

Thermally induced crystallization processes for amorphous GeSn thin films with Sn concentrations beyond the solubility limit of the bulk crystal Ge-Sn binary system have been examined by X-ray photoelectron spectroscopy, grazing incidence X-ray diffraction, and (scanning) transmission electron microscopy. We paid special attention to the behavior of Sn before and after recrystallization. In the as-deposited specimens, Sn atoms were homogeneously distributed in an amorphous matrix. Prior to crystallization, an amorphous-to-amorphous phase transformation associated with the rearrangement of Sn atoms was observed during heat treatment; this transformation is reversible with respect to temperature. Remarkable recrystallization occurred at temperatures above 400 °C, and Sn atoms were ejected from the crystallized GeSn matrix. The segregation of Sn became more pronounced with increasing annealing temperature, and the ejected Sn existed as a liquid phase. It was found that the molten Sn remains as a supercooled liquid below the eutectic temperature of the Ge-Sn binary system during the cooling process, and finally, β-Sn precipitates were formed at ambient temperature.

Potential High-Temperature Shape-Memory Alloys Identified in the Ti(Ni,Pt) System

NASA Technical Reports Server (NTRS)

Noebe, Ronald D.; Biles, Tiffany A.; Garg, Anita; Nathal, Michael V.

2004-01-01

"Shape memory" is a unique property of certain alloys that, when deformed (within certain strain limits) at low temperatures, will remember and recover to their original predeformed shape upon heating. It occurs when an alloy is deformed in the low-temperature martensitic phase and is then heated above its transformation temperature back to an austenitic state. As the material passes through this solid-state phase transformation on heating, it also recovers its original shape. This behavior is widely exploited, near room temperature, in commercially available NiTi alloys for connectors, couplings, valves, actuators, stents, and other medical and dental devices. In addition, there are limitless applications in the aerospace, automotive, chemical processing, and many other industries for materials that exhibit this type of shape-memory behavior at higher temperatures. But for high temperatures, there are currently no commercial shape-memory alloys. Although there are significant challenges to the development of high-temperature shape-memory alloys, at the NASA Glenn Research Center we have identified a series of alloy compositions in the Ti-Ni-Pt system that show great promise as potential high-temperature shape-memory materials.

The Microstructural Evolution and Special Flow Behavior of Ti-5Al-2Sn-2Zr-4Mo-4Cr During Isothermal Compression at a Low Strain Rate

NASA Astrophysics Data System (ADS)

Sun, J. Z.; Li, M. Q.; Li, H.

2017-09-01

The microstructural evolution and special flow behavior of Ti-5Al-2Sn-2Zr-4Mo-4Cr during isothermal compression at a strain rate of 0.0001 s-1 were investigated. The dislocation climbs in elongated α grains resulted in the formation of low-angle boundaries that transform into high-angle boundaries with greater deformation, and the elongated α grains subsequently separated into homogenous globular α grains with the penetration of the β phase. The simultaneous occurrence of discontinuous dynamic recrystallization and continuous dynamic recrystallization in the primary β grains resulted in a trimode grain distribution. The β grains surrounded by dislocations presented an equilateral-hexagonal morphology, which suggests that grain boundary sliding through dislocation climbs was the main deformation mechanism. The true stress-strain curves for 1073 and 1113 K abnormally intersect at a strain of 0.35, related to the α → β phase transformation and distinct growth of the β grain size.

Comb model for the anomalous diffusion with dual-phase-lag constitutive relation

NASA Astrophysics Data System (ADS)

Liu, Lin; Zheng, Liancun; Fan, Yu; Chen, Yanping; Liu, Fawang

2018-10-01

As a development of the Fick's model, the dual-phase-lag constitutive relationship with macroscopic and microscopic relaxation characteristics is introduced to describe the anomalous diffusion in comb model. The Dirac delta function in the formulated governing equation represents the special spatial structure of comb model that the horizontal current only exists on the x axis. Solutions are obtained by analytical method with Laplace transform and Fourier transform. The dependence of concentration field and mean square displacement on different parameters are presented and discussed. Results show that the macroscopic and microscopic relaxation parameters have opposite effects on the particle distribution and mean square displacement. Furthermore, four significant results with constant 1/2 are concluded, namely the product of the particle number and the mean square displacement on the x axis equals to 1/2, the exponent of mean square displacement is 1/2 at the special case τq= τP, an asymptotic form of mean square displacement (MSD∼t1/2 as t→0, ∞) is obtained as well at the short time behavior and the long time behavior.

Partial and Complete Wetting in Ultralow Interfacial Tension Multiphase Blends with Polylactide.

PubMed

Zolali, Ali M; Favis, Basil D

2016-12-15

The control of phase structuring in multiphase blends of polylactide (PLA) with other polymers is a viable approach to promote its broader implementation. In this article, ternary and quaternary blends of PLA with poly(butylene succinate) (PBS), poly(butylene adipate-co-terephthalate) (PBAT), and poly(3-hydroxybutyrate-co-hydroxyvalerate) (PHBV) are prepared by melt blending. The interfacial tensions between components are measured using three different techniques, and a Fourier transform infrared imaging technique is developed for the purpose of unambiguous phase identification. A tricontinuous complete wetting behavior is observed for the ternary 33PLA/33PBS/33PBAT blend before and after quiescent annealing, which correlates closely with spreading theory analysis. In the quaternary PLA/PBS/PBAT/PHBV blend, a concentration-dependent wetting behavior is found. At 10 vol % PBAT, self-assembled partially wet droplets of PBAT are observed at the interface of PBS and PHBV, and they remain stable after quiescent annealing as predicted by spreading theory. In contrast, at 25 vol % PBAT, a quadruple continuous system is observed after mixing, which only transforms to partially wet PBAT droplets after subsequent annealing. These results clearly indicate the potential of composition control during the mixing of multiphase systems to result in a complete change of spreading behavior.

Ferroelasticity in the LnNbO/sub 4/-type rare earth niobates

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

Brixner, L.H.; Whitney, J.F.; Zumsteg, F.C.

1977-01-01

The previously reported phase transitions for the isostructural rare earth niobates between 500/sup 0/C and 850/sup 0/C correspond to a point group transformation 4/mF2/m, which is purely ferroelastic. The correct room temperature point group for all LnNbO/sub 4/ compounds is 2/m. Crystal growth and domain wall behavior is discussed for LaNbO/sub 4/. The high temperature phase transition is described for YbNbO/sub 4/.

Relative phase asynchrony and long-range correlation of long-term solar magnetic activity

NASA Astrophysics Data System (ADS)

Deng, Linhua

2017-07-01

Statistical signal processing is one of the most important tasks in a large amount of areas of scientific studies, such as astrophysics, geophysics, and space physics. Phase recurrence analysis and long-range persistence are the two dynamical structures of the underlying processes for the given natural phenomenon. Linear and nonlinear time series analysis approaches (cross-correlation analysis, cross-recurrence plot, wavelet coherent transform, and Hurst analysis) are combined to investigate the relative phase interconnection and long-range correlation between solar activity and geomagnetic activity for the time interval from 1932 January to 2017 January. The following prominent results are found: (1) geomagnetic activity lags behind sunspot numbers with a phase shift of 21 months, and they have a high level of asynchronous behavior; (2) their relative phase interconnections are in phase for the periodic scales during 8-16 years, but have a mixing behavior for the periodic belts below 8 years; (3) both sunspot numbers and geomagnetic activity can not be regarded as a stochastic phenomenon because their dynamical behaviors display a long-term correlation and a fractal nature. We believe that the presented conclusions could provide further information on understanding the dynamical coupling of solar dynamo process with geomagnetic activity variation, and the crucial role of solar and geomagnetic activity in the long-term climate change.

Future utilization of space: Silverton Conference on material science and phase transformations in zero-gravity, summary of proceeding

NASA Technical Reports Server (NTRS)

Eisner, M. (Editor)

1975-01-01

The importance of zero gravity environment in the development and production of new and improved materials is considered along with the gravitational effects on phase changes or critical behavior in a variety of materials. Specific experiments discussed include: fine scale phase separation in zero gravity; glass formation in zero gravity; effects of gravitational perturbations on determination of critical exponents; and light scattering from long wave fluctuations in liquids in zero gravity. It is concluded that the space shuttle/spacelab system is applicable to various fields of interest.

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

Yu, Cun; Ren, Yang; Cui, Lishan

Under high pressure, materials usually shrink during compression as described by an equation of state. Here, we present the anomalous volume expansion behavior of a one-dimensional Nb nanowire embedded in a NiTi transforming matrix, while the matrix undergoes a pressure-induced martensitic transformation. The Nb volume expansion depends on the NiTi transition pressure range from the matrix, which is controlled by the shear strain induced by different pressure transmitting media. The transformation-induced interfacial stresses between Nb and NiTi may play a major role in this anomaly. In conclusion, our discovery sheds new light on the nano-interfacial effect on mechanical anomalies inmore » heterogeneous systems during a pressure-induced phase transition.« less

Elastocaloric cooling of additive manufactured shape memory alloys with large latent heat

DOE PAGES

Hou, Huilong; Simsek, Emrah; Stasak, Drew; ...

2017-08-11

The stress-induced martensitic phase transformation of shape memory alloys (SMAs) is the basis for elastocaloric cooling. In this paper, we employ additive manufacturing to fabricate TiNi SMAs, and demonstrate compressive elastocaloric cooling in the TiNi rods with transformation latent heat as large as 20 J g -1. Adiabatic compression on as-fabricated TiNi displays cooling ΔT as high as -7.5 °C with recoverable superelastic strain up to 5%. Unlike conventional SMAs, additive manufactured TiNi SMAs exhibit linear superelasticity with narrow hysteresis in stress–strain curves under both adiabatic and isothermal conditions. Microstructurally, we find that there are Ti 2Ni precipitates typically onemore » micron in size with a large aspect ratio enclosing the TiNi matrix. Finally, a stress transfer mechanism between reversible phase transformation in the TiNi matrix and mechanical deformation in Ti 2Ni precipitates is believed to be the origin of the unique superelasticity behavior.« less

Theta phase precession and phase selectivity: a cognitive device description of neural coding

NASA Astrophysics Data System (ADS)

Zalay, Osbert C.; Bardakjian, Berj L.

2009-06-01

Information in neural systems is carried by way of phase and rate codes. Neuronal signals are processed through transformative biophysical mechanisms at the cellular and network levels. Neural coding transformations can be represented mathematically in a device called the cognitive rhythm generator (CRG). Incoming signals to the CRG are parsed through a bank of neuronal modes that orchestrate proportional, integrative and derivative transformations associated with neural coding. Mode outputs are then mixed through static nonlinearities to encode (spatio) temporal phase relationships. The static nonlinear outputs feed and modulate a ring device (limit cycle) encoding output dynamics. Small coupled CRG networks were created to investigate coding functionality associated with neuronal phase preference and theta precession in the hippocampus. Phase selectivity was found to be dependent on mode shape and polarity, while phase precession was a product of modal mixing (i.e. changes in the relative contribution or amplitude of mode outputs resulted in shifting phase preference). Nonlinear system identification was implemented to help validate the model and explain response characteristics associated with modal mixing; in particular, principal dynamic modes experimentally derived from a hippocampal neuron were inserted into a CRG and the neuron's dynamic response was successfully cloned. From our results, small CRG networks possessing disynaptic feedforward inhibition in combination with feedforward excitation exhibited frequency-dependent inhibitory-to-excitatory and excitatory-to-inhibitory transitions that were similar to transitions seen in a single CRG with quadratic modal mixing. This suggests nonlinear modal mixing to be a coding manifestation of the effect of network connectivity in shaping system dynamic behavior. We hypothesize that circuits containing disynaptic feedforward inhibition in the nervous system may be candidates for interpreting upstream rate codes to guide downstream processes such as phase precession, because of their demonstrated frequency-selective properties.

Effect of Preparation Methods on Crystallization Behavior and Tensile Strength of Poly(vinylidene fluoride) Membranes

PubMed Central

Liu, Jie; Lu, Xiaolong; Wu, Chunrui

2013-01-01

Poly(vinylidene fluoride) (PVDF) membranes were prepared by non solvent induced phase separation (NIPS), melt spinning and the solution-cast method. The effect of preparation methods with different membrane formation mechanisms on crystallization behavior and tensile strength of PVDF membranes was investigated. Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) and X-ray diffraction (XRD) were employed to examine the crystal form of the surface layers and the overall membranes, respectively. Spherulite morphologies and thermal behavior of the membranes were studied by polarized light optical microscopy (PLO) and differential scanning calorimetry (DSC) separately. It was found that the crystallization behavior of PVDF membranes was closely related to the preparation methods. For membranes prepared by the NIPS method, the skin layers had a mixture of α and β phases, the overall membranes were predominantly α phase, and the total crystallinity was 60.0% with no spherulite. For melt spinning membranes, the surface layers also showed a mixture of α and β phases, the overall membranes were predominantly α phase. The total crystallinity was 48.7% with perfect spherulites. Whereas the crystallization behavior of solution-cast membranes was related to the evaporation temperature and the additive, when the evaporation temperature was 140 °C with a soluble additive in the dope solution, obvious spherulites appeared. The crystalline morphology of PVDF exerted a great influence on the tensile strength of the membranes, which was much higher with perfect spherulites. PMID:24957064

The Deformation Behavior Analysis and Mechanical Modeling of Step/Intercritical Quenching and Partitioning-Treated Multiphase Steels

NASA Astrophysics Data System (ADS)

Zhao, Hongshan; Li, Wei; Wang, Li; Zhou, Shu; Jin, Xuejun

2016-08-01

T wo types of multiphase steels containing blocky or fine martensite have been used to study the phase interaction and the TRIP effect. These steels were obtained by step-quenching and partitioning (S-QP820) or intercritical-quenching and partitioning (I-QP800 & I-QP820). The retained austenite (RA) in S-QP820 specimen containing blocky martensite transformed too early to prevent the local failure at high strain due to the local strain concentration. In contrast, plentiful RA in I-QP800 specimen containing finely dispersed martensite transformed uniformly at high strain, which led to optimized strength and elongation. By applying a coordinate conversion method to the microhardness test, the load partitioning between ferrite and partitioned martensite was proved to follow the linear mixture law. The mechanical behavior of multiphase S-QP820 steel can be modeled based on the Mecking-Kocks theory, Bouquerel's spherical assumption, and Gladman-type mixture law. Finally, the transformation-induced martensite hardening effect has been studied on a bake-hardened specimen.

Role of composition, bond covalency, and short-range order in the disordering of stannate pyrochlores by swift heavy ion irradiation

NASA Astrophysics Data System (ADS)

Tracy, Cameron L.; Shamblin, Jacob; Park, Sulgiye; Zhang, Fuxiang; Trautmann, Christina; Lang, Maik; Ewing, Rodney C.

2016-08-01

A2S n2O7 (A =Nd ,Sm,Gd,Er,Yb,and Y) materials with the pyrochlore structure were irradiated with 2.2 GeV Au ions to systematically investigate disordering of this system in response to dense electronic excitation. Structural modifications were characterized, over multiple length scales, by transmission electron microscopy, x-ray diffraction, and Raman spectroscopy. Transformations to amorphous and disordered phases were observed, with disordering dominating the structural response of materials with small A -site cation ionic radii. Both the disordered and amorphous phases were found to possess weberite-type local ordering, differing only in that the disordered phase exhibits a long-range, modulated arrangement of weberite-type structural units into an average defect-fluorite structure, while the amorphous phase remains fully aperiodic. Comparison with the behavior of titanate and zirconate pyrochlores showed minimal influence of the high covalency of the Sn-O bond on this phase behavior. An analytical model of damage accumulation was developed to account for simultaneous amorphization and recrystallization of the disordered phase during irradiation.

Micro-Raman scattering and dielectric investigations of phase transitions behavior in the PbHf0.7Sn0.3O3 single crystal

NASA Astrophysics Data System (ADS)

Jankowska-Sumara, Irena; Ko, Jae-Hyeon; Podgórna, Maria; Oh, Soo Han; Majchrowski, Andrzej

2017-09-01

Raman light scattering was used to detect the sequence of transitions in a PbHf1-xSnxO3 (PHS) single crystal with x = 0.30 in a temperature range of 77-873 K. Changes of Raman spectra were observed in the vicinity of structural phase transitions: between the antiferroelectric (AFE1)-antiferroelectric (AFE2)—intermediate—paraelectric phases. Light scattering and dielectric investigations were used to find out the nature and sequence of the phase transition, as well as the large dielectric permittivity values measured at the phase transition, by searching for the soft-phonon-mode behavior. The experimentally recorded spectra were analyzed in terms of the damped-harmonic oscillator model for the phonon bands. It is demonstrated that the structural phase transformations in PHS can be considered as the result of softening of many modes, not only the ferroelectric one. It was also proved that locally broken symmetry effects are present at temperatures far above the Curie temperature and are connected with the softening of two optic modes of different nature.

Sulfidation behavior and mechanism of zinc silicate roasted with pyrite

NASA Astrophysics Data System (ADS)

Ke, Yong; Peng, Ning; Xue, Ke; Min, Xiaobo; Chai, Liyuan; Pan, Qinglin; Liang, Yanjie; Xiao, Ruiyang; Wang, Yunyan; Tang, Chongjian; Liu, Hui

2018-03-01

Sulfidation roasting followed by flotation is widely known as a possible generic technology for enriching valuable metals in low-grade Zn-Pb oxide ores. Zn2SiO4 is the primary Zn phase in willemite. Zn4Si2O7(OH)2(H2O), the main Zn phase in hemimorphite, transforms into Zn2SiO4 at temperatures above 600 °C. To enrich the Zn in willemite and hemimorphite, the Zn species should first be converted to ZnS. Therefore, a thorough understanding of the sulfidation reaction of Zn2SiO4 during roasting with pyrite is of vital important. In this study, the sulfidation behavior and reaction mechanisms of a Zn2SiO4-pyrite roasting system were determined using HSC 5.0 software, TG-FTIR spectroscopy, XRD, XPS and SEM-EDS. The results indicate that the sulfidation process can be divided into three steps: the decomposition of pyrite and formation of a sulfur-rich environment, the sulfur-induced migration of O2- and transformation of sulfur vapor, and the sulfidation reaction via oxygen-sulfur exchange. During the sulfidation roasting process, pyrite was converted to loose and porous Fe3O4, whereas Zn2SiO4 was transformed into ZnS and SiO2 in situ. These findings provide theoretical support for controlling the sulfidation roasting process of willemite and hemimorphite.

Design and development of NiTi-based precipitation-strengthened high-temperature shape memory alloys for actuator applications

NASA Astrophysics Data System (ADS)

Hsu, Derek Hsen Dai

As a vital constituent in the field of smart materials and structures, shape memory alloys (SMAs) are becoming ever-more important due to their wide range of commercial and industrial applications such as aircraft couplings, orthodontic wires, and eyeglasses frames. However, two major obstacles preventing SMAs from fulfilling their potential as excellent actuator materials are: 1) the lack of commercially-viable SMAs that operate at elevated temperatures, and 2) the degradation of mechanical properties and shape memory behavior due to thermal cyclic fatigue. This research utilized a thermodynamically-driven systems design approach to optimize the desired properties by controlling the microstructure and processing of high-temperature SMAs (HTSMAs). To tackle the two aforementioned problems with HTSMAs, the introduction of Ni2TiAl coherent nanoprecipitates in a Ni-Ti-Zr/Hf HTSMA matrix is hypothesized to strengthen the martensite phase while simultaneously increasing the transformation temperature. Differential scanning calorimetry (DSC) was used to determine the transformation temperatures and thermal cyclic stability of each alloy. Also, microstructural characterization was performed using X-ray diffraction (XRD), optical microscopy (OM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and atom probe tomography (APT). Lastly, compression testing was used to assess the mechanical behavior of the alloys. From the investigation of the first set of Ni48.5Ti31.5-X Zr20AlX (X = 0, 1, 2, 3) prototype alloys, Al addition was found to decrease the transformation temperatures, decrease the thermal cyclic stability, but also increase the strength due to the nucleation and growth of embrittling NiTi2 and NiTiZr Laves phases. However, the anticipated Heusler phase precipitation did not occur. The next study focused on Ni50Ti30-XHf20Al X (X = 0, 1, 2, 3, 4, 5) prototype alloys which replaced Zr with Hf to avoid the formation of brittle Laves phases. Heusler precipitation was successfully demonstrated in the aged 4 and 5% Al alloys, but no transformation was detected. Finally, the last investigation explored the potential of high transformation temperatures in Ni50Ti25-XHf25AlX and Ni50Ti20-XHf30AlX (X = 0, 1, 2, 3, 4, 5) prototype alloys. The final design was narrowed down to a Ni 50Ti20Hf25Al5 alloy aged at 800°C that is expected to exhibit high transformation temperatures while concurrently strengthened by Heusler nanoprecipitates.

Strain rate sensitivity of a TRIP-assisted dual-phase high-entropy alloy

NASA Astrophysics Data System (ADS)

Basu, Silva; Li, Zhiming; Pradeep, K. G.; Raabe, Dierk

2018-05-01

Dual-phase high-entropy alloys (DP-HEAs) with transformation induced plasticity (TRIP) have an excellent strength-ductility combination. To reveal their strain-rate sensitivity and hence further understand the corresponding deformation mechanisms, we investigated the tensile behavior and microstructural evolution of a typical TRIP-DP-HEA (Fe50Mn30Co10Cr10, at. %) under different strain rates (i.e., 5 × 10-3 s-1, 1 × 10-3 s-1, 5 × 10-4 s-1 and 1 × 10-4 s-1) at room temperature. The strain rate range was confined to this regime in order to apply the digital image correlation technique for probing the local strain evolution during tensile deformation at high resolution and to correlate it to the microstructure evolution. Grain size effects of the face-centered cubic (FCC) matrix and the volume fractions of the hexagonal-close packed (HCP) phase prior to deformation were also considered. The results show that within the explored strain rate regime the TRIP-DP-HEA has a fairly low strain rate sensitivity parameter within the range from 0.004 to 0.04, which is significantly lower than that of DP and TRIP steels. Samples with varying grain sizes (e.g., 2.8 μm and 38 μm) and starting HCP phase fractions (e.g., 25% and 72%) at different strain rates show similar deformation mechanisms, i.e., dislocation plasticity and strain-induced transformation from the FCC matrix to the HCP phase. The low strain rate sensitivity is attributed to the observed dominant displacive transformation mechanism. Also, the coarse-grained alloy samples with a very high starting HCP phase fraction ( 72%) prior to deformation show very good ductility with a total elongation of 60%, suggesting that both, the initial and the transformed HCP phase in the TRIP-DP-HEA are ductile and deform further via dislocation slip at the different strain rates which were probed.

High-pressure phase transition in silicon carbide under shock loading using ultrafast x-ray diffraction

NASA Astrophysics Data System (ADS)

Tracy, S. J.; Smith, R. F.; Wicks, J. K.; Fratanduono, D. E.; Gleason, A. E.; Bolme, C.; Speziale, S.; Appel, K.; Prakapenka, V. B.; Fernandez Panella, A.; Lee, H. J.; MacKinnon, A.; Eggert, J.; Duffy, T. S.

2017-12-01

The behavior of silicon carbide (SiC) under shock loading was investigated through a series of time-resolved pump-probe x-ray diffraction (XRD) measurements. SiC is found at impact sites and has been put forward as a possible constituent in the proposed class of extra-solar planets known as carbon planets. Previous studies have used wave profile measurements to identify a phase transition under shock loading near 1 Mbar, but crystal structure information was not obtained. We have carried out an in situ XRD study of shock-compressed SiC using the Matter in Extreme Conditions instrument of the Linac Coherent Light Source. The femtosecond time resolution of the x-ray free electron laser allows for the determination of time-dependent atomic arrangements during shock loading and release. Two high-powered lasers were used to generate ablation-driven compression waves in the samples. Time scans were performed using the same drive conditions and nominally identical targets. For each shot in a scan, XRD data was collected at a different probe time after the shock had entered the SiC. Probe times extended up to 40 ns after release. Scans were carried out for peak pressures of 120 and 185 GPa. Our results demonstrate that SiC transforms directly from the ambient tetrahedrally-coordinated phase to the octahedral B1 structure on the nanosecond timescale of laser-drive experiments and reverts to the tetrahedrally coordinated ambient phase within nanoseconds of release. The data collected at 120 GPa exhibit diffraction peaks from both compressed ambient phase and transformed B1 phase, while the data at 185 GPa show a complete transformation to the B1 phase. Densities determined from XRD peaks are in agreement with an extrapolation of previous continuum data as well as theoretical predictions. Additionally, a high degree of texture was retained in both the high-pressure phase as well as on back transformation. Two-dimensional fits to the XRD data reveal details of the orientational relationships between the low- and high-pressure phases that can be interpreted to provide information about transformation pathways between tetrahedral and octahedral coordination structures. We acknowledge support for this work from SLAC National Accelerator Laboratory, Lawrence Livermore National Laboratory, and Los Alamos National Laboratory.

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.

Nucleation and Epitaxy-Mediated Phase Transformation of a Precursor Cadmium Carbonate Phase at the Calcite/Water Interface

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

Riechers, Shawn L.; Rosso, Kevin M.; Kerisit, Sebastien N.

Mineral nucleation can be catalyzed by the presence of mineral substrates; however, the mechanisms of heterogeneous nucleation remain poorly understood. A combination of in situ time-sequenced measurements and nano-manipulation experiments were performed using atomic force microscopy (AFM) to probe the mechanisms of heteroepitaxial nucleation of otavite (CdCO3) on calcite (CaCO3) single crystals that exposed the (10-14) surface. Otavite and calcite are isostructural carbonates that display a 4% lattice mismatch, based on their (10-14) surface areas. AFM observations revealed a two-stage process in the nucleation of cadmium carbonate surface precipitates. As evidenced by changes in height, shape, growth behavior, and frictionmore » signal of the precipitates, a precursor phase was observed to initially form on the surface and subsequently undergo an epitaxy-mediated phase transformation to otavite, which then grew epitaxially. Nano-manipulation experiments, in which the applied force was increased progressively until precipitates were removed from the surface, showed that adhesion of the precursor phase to the substrate was distinctively weaker than that of the epitaxial phase, consistent with that of an amorphous phase. These findings demonstrate for the first time that heterogeneous mineral nucleation can follow a non-classical pathway like that found in homogenous aqueous conditions.« less

Making Behavior Change Interventions Available to Young African American Women: Development and Feasibility of an eHealth Lifestyle Program.

PubMed

Staffileno, Beth A; Tangney, Christy C; Fogg, Louis; Darmoc, Rebecca

2015-01-01

Less is known about young African American (AA) women, largely because the young are hard to reach. Traditional approaches to behavior changes interventions impose several challenges, especially for AA women at risk for developing hypertension. This feasibility study describes the process of transforming a face-to-face lifestyle change intervention into a Web-based platform (eHealth) accessible by iPads, iPhones, smartphones, and personal computers. Four sequential phases were conducted using elements of formative evaluation and quantitative analysis. A convenience sample of AA women, aged 18 to 45 years, with self-reported prehypertension and regular access to the Internet were eligible to participate. Eleven women involved in phase 1 expressed that they (1) currently use the Internet to retrieve health-related information, (2) prefer to use the Internet rather than face-to-face contact for nonserious conditions, (3) need convenience and easily accessible health-related interventions, and (4) are amenable to the idea of an eHealth lifestyle modification program. During phase 2, learning modules derived from printed manuals were adapted and compressed for a Web audience. The modules were designed to present evidence-based content but allowed for tailoring and individualization according to the needs of the target population. During phase 3, 8 women provided formative information concerning appeal and usability of the eHealth program in relation to delivery, visual quality, interactivity, and engagement. Phase 4 involved 8 women beta testing the 12-week program, with a 63% completion rate. Most of the women agreed that the program and screens opened with ease, the functions on the screens did what they were supposed to do, and the discussion board was easy to access. Program completion was greater for physical activity compared with dietary content. This study outlines a step-by-step process for transforming face-to-face content into a Web-based platform, which, importantly, can serve as a template for promoting other health behaviors.

Pressure-induced transformations in computer simulations of glassy water.

PubMed

Chiu, Janet; Starr, Francis W; Giovambattista, Nicolas

2013-11-14

Glassy water occurs in at least two broad categories: low-density amorphous (LDA) and high-density amorphous (HDA) solid water. We perform out-of-equilibrium molecular dynamics simulations to study the transformations of glassy water using the ST2 model. Specifically, we study the known (i) compression-induced LDA-to-HDA, (ii) decompression-induced HDA-to-LDA, and (iii) compression-induced hexagonal ice-to-HDA transformations. We study each transformation for a broad range of compression/decompression temperatures, enabling us to construct a "P-T phase diagram" for glassy water. The resulting phase diagram shows the same qualitative features reported from experiments. While many simulations have probed the liquid-state phase behavior, comparatively little work has examined the transitions of glassy water. We examine how the glass transformations relate to the (first-order) liquid-liquid phase transition previously reported for this model. Specifically, our results support the hypothesis that the liquid-liquid spinodal lines, between a low-density and high-density liquid, are extensions of the LDA-HDA transformation lines in the limit of slow compression. Extending decompression runs to negative pressures, we locate the sublimation lines for both LDA and hyperquenched glassy water (HGW), and find that HGW is relatively more stable to the vapor. Additionally, we observe spontaneous crystallization of HDA at high pressure to ice VII. Experiments have also seen crystallization of HDA, but to ice XII. Finally, we contrast the structure of LDA and HDA for the ST2 model with experiments. We find that while the radial distribution functions (RDFs) of LDA are similar to those observed in experiments, considerable differences exist between the HDA RDFs of ST2 water and experiment. The differences in HDA structure, as well as the formation of ice VII (a tetrahedral crystal), are a consequence of ST2 overemphasizing the tetrahedral character of water.

Pressure-induced transformations in computer simulations of glassy water

NASA Astrophysics Data System (ADS)

Chiu, Janet; Starr, Francis W.; Giovambattista, Nicolas

2013-11-01

Glassy water occurs in at least two broad categories: low-density amorphous (LDA) and high-density amorphous (HDA) solid water. We perform out-of-equilibrium molecular dynamics simulations to study the transformations of glassy water using the ST2 model. Specifically, we study the known (i) compression-induced LDA-to-HDA, (ii) decompression-induced HDA-to-LDA, and (iii) compression-induced hexagonal ice-to-HDA transformations. We study each transformation for a broad range of compression/decompression temperatures, enabling us to construct a "P-T phase diagram" for glassy water. The resulting phase diagram shows the same qualitative features reported from experiments. While many simulations have probed the liquid-state phase behavior, comparatively little work has examined the transitions of glassy water. We examine how the glass transformations relate to the (first-order) liquid-liquid phase transition previously reported for this model. Specifically, our results support the hypothesis that the liquid-liquid spinodal lines, between a low-density and high-density liquid, are extensions of the LDA-HDA transformation lines in the limit of slow compression. Extending decompression runs to negative pressures, we locate the sublimation lines for both LDA and hyperquenched glassy water (HGW), and find that HGW is relatively more stable to the vapor. Additionally, we observe spontaneous crystallization of HDA at high pressure to ice VII. Experiments have also seen crystallization of HDA, but to ice XII. Finally, we contrast the structure of LDA and HDA for the ST2 model with experiments. We find that while the radial distribution functions (RDFs) of LDA are similar to those observed in experiments, considerable differences exist between the HDA RDFs of ST2 water and experiment. The differences in HDA structure, as well as the formation of ice VII (a tetrahedral crystal), are a consequence of ST2 overemphasizing the tetrahedral character of water.

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

Stan, Camelia V.; Dutta, Rajkrishna; White, Claire E.

Lead fluoride, PbF 2, was investigated experimentally in the laser-heated diamond anvil cell by x-ray diffraction to pressures of 75 GPa at room temperature and to 64.5 GPa and 2430 K, as well as through first-principles density functional theory calculations up to 70 GPa. During room temperature compression, no discontinuous changes in the x-ray diffraction pattern or volume were observed, but the lattice parameters displayed highly anomalous trends between 10-22 GPa with enhanced compressibility along the a direction and reduced or even negative compressibility along b and c. Theoretical calculations of valence electron densities at 22 GPa showed that α-PbFmore » 2 underwent a pressure-induced isosymmetric phase transition to a postcotunnite Co 2Si structure and also revealed the detailed atomic rearrangements associated with the development of an extra Pb-F bond in the high-pressure phase. Our x-ray results and theoretical calculations are consistent with an isosymmetric phase transition smoothly occurring over 10-22 GPa rather than abruptly as previously suggested. The characteristic values for the cell constants a/c and (a+c)/b, which are used to distinguish among cotunnite-, Co 2Si-, and Ni 2In-type phases, require modification based on our results. An equation of state fit yields a bulk modulus, K 0, of 72(3) GPa for the cotunnite-type, and an ambient-pressure volume, V 0, of 182(2)Å 3, and K 0=81(4)GPa for the Co 2Si-type phase when fixing the pressure derivative of the bulk modulus, K 0'=4. Upon heating above 1200 K at pressures at or above 25.9 GPa, PbF 2 partially transformed to the hexagonal Ni 2In-type phase but wholly or partially reverted back to Co 2Si-type phase upon temperature quench. From 43-65 GPa, nearly complete transformation to the Ni 2In-type PbF 2 was observed at high temperature, but the material partially transformed back to the orthorhombic phase upon temperature quench. Our results show that high-pressure behavior of PbF 2 is distinct from that of the alkaline earth fluorides with similar ionic radii. These results also have relevance to understanding the behavior of lanthanide and actinide dioxides, which have been predicted theoretically to exhibit similar isosymmetric transitions at Mbar pressures.« less

High-pressure polymorphism of Pb F 2 to 75 GPa

DOE PAGES

Stan, Camelia V.; Dutta, Rajkrishna; White, Claire E.; ...

2016-07-06

Lead fluoride, PbF 2, was investigated experimentally in the laser-heated diamond anvil cell by x-ray diffraction to pressures of 75 GPa at room temperature and to 64.5 GPa and 2430 K, as well as through first-principles density functional theory calculations up to 70 GPa. During room temperature compression, no discontinuous changes in the x-ray diffraction pattern or volume were observed, but the lattice parameters displayed highly anomalous trends between 10-22 GPa with enhanced compressibility along the a direction and reduced or even negative compressibility along b and c. Theoretical calculations of valence electron densities at 22 GPa showed that α-PbFmore » 2 underwent a pressure-induced isosymmetric phase transition to a postcotunnite Co 2Si structure and also revealed the detailed atomic rearrangements associated with the development of an extra Pb-F bond in the high-pressure phase. Our x-ray results and theoretical calculations are consistent with an isosymmetric phase transition smoothly occurring over 10-22 GPa rather than abruptly as previously suggested. The characteristic values for the cell constants a/c and (a+c)/b, which are used to distinguish among cotunnite-, Co 2Si-, and Ni 2In-type phases, require modification based on our results. An equation of state fit yields a bulk modulus, K 0, of 72(3) GPa for the cotunnite-type, and an ambient-pressure volume, V 0, of 182(2)Å 3, and K 0=81(4)GPa for the Co 2Si-type phase when fixing the pressure derivative of the bulk modulus, K 0'=4. Upon heating above 1200 K at pressures at or above 25.9 GPa, PbF 2 partially transformed to the hexagonal Ni 2In-type phase but wholly or partially reverted back to Co 2Si-type phase upon temperature quench. From 43-65 GPa, nearly complete transformation to the Ni 2In-type PbF 2 was observed at high temperature, but the material partially transformed back to the orthorhombic phase upon temperature quench. Our results show that high-pressure behavior of PbF 2 is distinct from that of the alkaline earth fluorides with similar ionic radii. These results also have relevance to understanding the behavior of lanthanide and actinide dioxides, which have been predicted theoretically to exhibit similar isosymmetric transitions at Mbar pressures.« less

High-pressure polymorphism of Pb F2 to 75 GPa

NASA Astrophysics Data System (ADS)

Stan, Camelia V.; Dutta, Rajkrishna; White, Claire E.; Prakapenka, Vitali; Duffy, Thomas S.

2016-07-01

Lead fluoride, Pb F2 , was investigated experimentally in the laser-heated diamond anvil cell by x-ray diffraction to pressures of 75 GPa at room temperature and to 64.5 GPa and 2430 K, as well as through first-principles density functional theory calculations up to 70 GPa. During room temperature compression, no discontinuous changes in the x-ray diffraction pattern or volume were observed, but the lattice parameters displayed highly anomalous trends between 10-22 GPa with enhanced compressibility along the a direction and reduced or even negative compressibility along b and c . Theoretical calculations of valence electron densities at 22 GPa showed that α -Pb F2 underwent a pressure-induced isosymmetric phase transition to a postcotunnite C o2Si structure and also revealed the detailed atomic rearrangements associated with the development of an extra Pb-F bond in the high-pressure phase. Our x-ray results and theoretical calculations are consistent with an isosymmetric phase transition smoothly occurring over 10-22 GPa rather than abruptly as previously suggested. The characteristic values for the cell constants a /c and (a +c )/b , which are used to distinguish among cotunnite-, C o2Si -, and N i2In -type phases, require modification based on our results. An equation of state fit yields a bulk modulus, K0, of 72(3) GPa for the cotunnite-type, and an ambient-pressure volume, V0, of 182 (2 ) Å3 , and K0=81 (4 ) GPa for the C o2Si -type phase when fixing the pressure derivative of the bulk modulus, K0 '=4 . Upon heating above 1200 K at pressures at or above 25.9 GPa, Pb F2 partially transformed to the hexagonal N i2In -type phase but wholly or partially reverted back to C o2Si -type phase upon temperature quench. From 43-65 GPa, nearly complete transformation to the N i2In -type Pb F2 was observed at high temperature, but the material partially transformed back to the orthorhombic phase upon temperature quench. Our results show that high-pressure behavior of Pb F2 is distinct from that of the alkaline earth fluorides with similar ionic radii. Our results also have relevance to understanding the behavior of lanthanide and actinide dioxides, which have been predicted theoretically to exhibit similar isosymmetric transitions at Mbar pressures.

Mesomorphic behaviors of a series of heterocyclic thiophene-imine-ester-based liquid crystals

NASA Astrophysics Data System (ADS)

Foo, K.-L.; Ha, S.-T.; Yeap, G. Y.; Lee, S. L.

2018-05-01

The synthesis and characterization of a series of heterocyclic liquid crystal, 4-{[(thiophen-2-yl)methylidene]amino}phenyl 4-alkoxybenzoates possessing even number of carbon atoms at the alkoxy chain (CnH2n+1O-, n = 6, 8, 10, 12, 14, 16, 18) are reported. The molecular structures of title compounds were elucidated using Fourier-transform infrared spectroscopy (FTIR) and Nuclear Magnetic Resonance (NMR) spectroscopic techniques along with mass spectrometric analysis. The phase behavior of these compounds was characterized and studied by differential scanning calorimetry and polarizing optical microscopy. All members exhibited enantiotropic nematic phase except for the highest member (n = 18) which is a non-mesogen. Influence of alkoxy chain length on the transition temperatures of crystal-to-nematic (melting point) and nematic-to-isotropic (clearing point) was studied. Nematic phase range was found to increase from n = 6 to n = 10, then it started to descend from n = 12 to n = 16 and finally the nematic phase disappeared when n changed to 18.

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

Combined effects of different heat treatments and Cu element on transformation behavior of NiTi orthodontic wires.

PubMed

Seyyed Aghamiri, S M; Ahmadabadi, M Nili; Raygan, Sh

2011-04-01

The shape memory nickel-titanium alloy has been applied in many fields due to its unique thermal and mechanical performance. One of the successful applications of NiTi wires is in orthodontics because of its good characteristics such as low stiffness, high spring back, high stored energy, biocompatibility, superelasticity and shape memory effect. The mechanical properties of wires are paid special attention which results in achieving continuous optimal forces and eventually causing rapid tooth movement without any damage. The behavior of the alloy can be controlled by chemical composition and thermo-mechanical treatment during the manufacturing process. In this study two kinds of commercial superelastic NiTi archwires of 0.41 mm diameter were investigated: Copper NiTi and Highland Metal. The chemical analysis of both wires was estimated by energy dispersive spectroscopy (EDS). It was showed that Copper NiTi wire contained copper and chromium. The two types of wires were exposed to different heat treatment conditions at 400 and 500 °C for 10 and 60 min to compare the behavior of the wires at aged and as-received conditions. Phase transformation temperatures clarified by differential scanning calorimetry (DSC) showed B2 <--> R <--> B19 transformation in Highland Metal wire and B2 <--> B19(') transformation in Copper NiTi wire. Three point bending (TPB) tests in the certain designed fixture were performed at 37 °C to evaluate the mechanical behavior of the wires. The experimental results revealed the superelastic behavior of the Highland Metal wire after 60 min ageing at 400 and 500 °C and the plastic deformation of the Copper NiTi wire after annealing due to the effect of copper in the alloy composition. Copyright © 2010 Elsevier Ltd. All rights reserved.

Phase Transformations and Microstructural Evolution: Part II

DOE PAGES

Clarke, Amy Jean

2015-10-30

The activities of the Phase Transformations Committee of the Materials Processing & Manufacturing Division (MPMD) of The Minerals, Metals & Materials Society (TMS) are oriented toward understanding the fundamental aspects of phase transformations. Emphasis is placed on the thermodynamic driving forces for phase transformations, the kinetics of nucleation and growth, interfacial structures and energies, transformation crystallography, surface reliefs, and, above all, the atomic mechanisms of phase transformations. Phase transformations and microstructural evolution are directly linked to materials processing, properties, and performance. In this issue, aspects of liquid–solid and solid-state phase transformations and microstructural evolution are highlighted. Many papers in thismore » issue are highlighted by this paper, giving a brief summary of what they bring to the scientific community.« less

Molecular dynamics simulation of the plastic behavior anisotropy of shock-compressed monocrystal nickel

NASA Astrophysics Data System (ADS)

Chen, Ya-Zhou; Zhou, Liu-Cheng; He, Wei-Feng; Sun, Yu; Li, Ying-Hong; Jiao, Yang; Luo, Si-Hai

2017-01-01

Molecular dynamics simulations were used to study the plastic behavior of monocrystalline nickel under shock compression along the [100] and [110] orientations. The shock Hugoniot relation, local stress curve, and process of microstructure development were determined. Results showed the apparent anisotropic behavior of monocrystalline nickel under shock compression. The separation of elastic and plastic waves was also obvious. Plastic deformation was more severely altered along the [110] direction than the [100] direction. The main microstructure phase transformed from face-centered cubic to body-centered cubic and generated a large-scale and low-density stacking fault along the family of { 111 } crystal planes under shock compression along the [100] direction. By contrast, the main mechanism of plastic deformation in the [110] direction was the nucleation of the hexagonal, close-packed phase, which generated a high density of stacking faults along the [110] and [1̅10] directions.

Pressure-Induced Phase Transitions of n-Tridecane

NASA Astrophysics Data System (ADS)

Yamashita, Motoi

Pressure-induced phase transition behavior of n-tridecane from the ordered phase through the rotator phase into the liquid phase has been investigated by using Fourier transform infrared spectroscopy at 25 °C. The transition between the ordered and rotator phases has been observed in the pressure range of 270-220 MPa and the transition between the rotator and liquid phases has been observed in the pressure range of 171-112 MPa, within the experimental error of ±50 MPa. The populations of the -gtg- + -gtg'-, -gg- and gt- defects determined from the methylene wagging mode are smaller in the rotator phase than in the liquid phase and are smaller under higher pressure in both of the rotator and liquid phases. A relationship has been found between the conformation and the intensity of the 890 cm-1 band, which has been assigned as the methyl rocking mode and has been considered as insensitive to conformation.

Raman spectroscopic study of calcite III to aragonite transformation under high pressure and high temperature

NASA Astrophysics Data System (ADS)

Liu, Chuanjiang; Zheng, Haifei; Wang, Duojun

2017-10-01

In our study, a series of Raman experiments on the phase transition of calcite at high pressure and high temperature were investigated using a hydrothermal diamond anvil cell and Raman spectroscopy technique. It was found that calcite I transformed to calcite II and calcite III at pressures of 1.62 and 2.12 GPa and room temperature. With increasing temperature, the phase transition of calcite III to aragonite occurred. Aragonite was retained upon slowly cooling of the system, indicating that the transition of calcite III to aragonite was irreversible. Based on the available data, the phase boundary between calcite III and aragonite was determined by the following relation: P(GPa) = 0.013 × T(°C) + 1.22 (100°C ≤ T ≤ 170°C). It showed that the transition pressure linearly rose with increasing temperature. A better understanding of the stability of calcite III and aragonite is of great importance to further explore the thermodynamic behavior of carbonates and carbon cycling in the mantle.

Alpha – omega and omega – alpha phase transformations in zirconium under hydrostatic pressure: A 3D mesoscale study

DOE PAGES

Yeddu, Hemantha Kumar; Zong, Hongxiang; Lookman, Turab

2015-09-28

Here, a three dimensional (3D) elastoplastic phase-field model is developed for modeling the hydrostatic pressure-induced alpha – omega phase transformation and the reverse phase transformation, i.e. omega – alpha, in zirconium (Zr). Plastic deformation and strain hardening of the material are also considered in the model. The microstructure evolution during both phase transformations is studied. The transformation start pressures at different temperatures are predicted and are plotted as a phase diagram. The effect of phase transformations on the mechanical properties of the material is also studied. The input data corresponding to pure Zr are acquired from experimental studies as wellmore » as by using the CALPHAD method. Our simulations show that three different omega variants form as laths. On release of pressure, reverse phase transformation initiates at lath boundaries. We observe that both phase transformations are martensitic in nature and also occur at the same pressure, i.e. little hysteresis. The transformation start pressures and the kinetics of the transformation predicted by our model are in good agreement with experimental results.« less

Alpha – omega and omega – alpha phase transformations in zirconium under hydrostatic pressure: A 3D mesoscale study

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

Yeddu, Hemantha Kumar; Zong, Hongxiang; Lookman, Turab

Here, a three dimensional (3D) elastoplastic phase-field model is developed for modeling the hydrostatic pressure-induced alpha – omega phase transformation and the reverse phase transformation, i.e. omega – alpha, in zirconium (Zr). Plastic deformation and strain hardening of the material are also considered in the model. The microstructure evolution during both phase transformations is studied. The transformation start pressures at different temperatures are predicted and are plotted as a phase diagram. The effect of phase transformations on the mechanical properties of the material is also studied. The input data corresponding to pure Zr are acquired from experimental studies as wellmore » as by using the CALPHAD method. Our simulations show that three different omega variants form as laths. On release of pressure, reverse phase transformation initiates at lath boundaries. We observe that both phase transformations are martensitic in nature and also occur at the same pressure, i.e. little hysteresis. The transformation start pressures and the kinetics of the transformation predicted by our model are in good agreement with experimental results.« less

Phase stability of iron germanate, FeGeO3, to 127 GPa

NASA Astrophysics Data System (ADS)

Dutta, R.; Tracy, S. J.; Stan, C. V.; Prakapenka, V. B.; Cava, R. J.; Duffy, T. S.

2018-04-01

The high-pressure behavior of germanates is of interest as these compounds serve as analogs for silicates of the deep Earth. Current theoretical and experimental studies of iron germanate, FeGeO3, are limited. Here, we have examined the behavior of FeGeO3 to 127 GPa using the laser-heated diamond anvil cell combined with in situ synchrotron X-ray diffraction. Upon compression at room temperature, the ambient-pressure clinopyroxene phase transforms to a disordered triclinic phase [FeGeO3 (II)] at 18 GPa in agreement with earlier studies. An additional phase transition to FeGeO3 (III) occurs above 54 GPa at room temperature. Laser-heating experiments ( 1200-2200 K) were conducted at three pressures (33, 54, and 123 GPa) chosen to cover the stability regions of different GeO2 polymorphs. In all cases, we observe that FeGeO3 dissociates into GeO2 + FeO at high pressure and temperature conditions. Neither the perovskite nor the post-perovskite phase was observed up to 127 GPa at ambient or high temperatures. The results are consistent with the behavior of FeSiO3, which also dissociates into a mixture of the oxides (FeO + SiO2) at least up to 149 GPa.

Wavelet-based analysis of circadian behavioral rhythms.

PubMed

Leise, Tanya L

2015-01-01

The challenging problems presented by noisy biological oscillators have led to the development of a great variety of methods for accurately estimating rhythmic parameters such as period and amplitude. This chapter focuses on wavelet-based methods, which can be quite effective for assessing how rhythms change over time, particularly if time series are at least a week in length. These methods can offer alternative views to complement more traditional methods of evaluating behavioral records. The analytic wavelet transform can estimate the instantaneous period and amplitude, as well as the phase of the rhythm at each time point, while the discrete wavelet transform can extract the circadian component of activity and measure the relative strength of that circadian component compared to those in other frequency bands. Wavelet transforms do not require the removal of noise or trend, and can, in fact, be effective at removing noise and trend from oscillatory time series. The Fourier periodogram and spectrogram are reviewed, followed by descriptions of the analytic and discrete wavelet transforms. Examples illustrate application of each method and their prior use in chronobiology is surveyed. Issues such as edge effects, frequency leakage, and implications of the uncertainty principle are also addressed. © 2015 Elsevier Inc. All rights reserved.

Realization of metamagnetic martensitic transformation with multifunctional properties in Co50V34Ga16 Heusler alloy

NASA Astrophysics Data System (ADS)

Liu, Changqin; Li, Zhe; Zhang, Yuanlei; Huang, Yinsheng; Ye, Miaofu; Sun, Xiaodong; Zhang, Guojie; Cao, Yiming; Xu, Kun; Jing, Chao

2018-05-01

In this work, we have developed a ferromagnetic shape memory alloy Co50V34Ga16 with a metamagnetic martensitic transformation (MT) from the high-magnetization austenitic phase to the low-magnetization martensitic phase. As a consequence of a strong coupling between structure and magnetic degrees of freedom, the metamagnetic MT of this alloy is relatively sensitive to the external magnetic field, thus giving rise to a field-induced reverse MT. Associated with such a unique behavior, both considerable inverse magnetocaloric effect (9.6 J/kg K) and magnetostrain (0.07%) have also been obtained under the magnetic field change of 3 T. Our experimental results indicate that this kind of Co-V based alloy probably becomes an alternatively promising candidate for applications in magnetic sensors and magnetic refrigeration.

The Measurement and Interpretation of Transformation Temperatures in Nitinol

NASA Astrophysics Data System (ADS)

Duerig, T. W.; Pelton, A. R.; Bhattacharya, K.

2017-12-01

A previous paper (Duerig and Bhattacharya in Shap Mem Superelasticity 1:153-161, 2015) introduced several engineering considerations surrounding the R-phase in Nitinol and highlighted a common, if not pervasive, misconception regarding the use of the term Af by the medical device industry. This paper brings additional data to bear on the issue and proposes more accurate terminology. Moreover, a variety of tools are used to establish the forward and reverse stress-temperature phase diagrams for a superelastic wire typical of that used in medical devices. Once established, the two most common methods of measuring transformation temperatures, Differential Scanning Calorimetry and Bend Free Recovery, are tested against the observed behavior. Light is also shed upon the origin of the Clausius-Clapeyron ratio (d σ/d T), the triple point, and why such large variations are reported in superelastic alloys.

Phase transitions in mixed gas hydrates: experimental observations versus calculated data.

PubMed

Schicks, Judith M; Naumann, Rudolf; Erzinger, Jörg; Hester, Keith C; Koh, Carolyn A; Sloan, E Dendy

2006-06-15

This paper presents the phase behavior of multicomponent gas hydrate systems formed from primarily methane with small amounts of ethane and propane. Experimental conditions were typically in a pressure range between 1 and 6 MPa, and the temperature range was between 260 and 290 K. These multicomponent systems have been investigated using a variety of techniques including microscopic observations, Raman spectroscopy, and X-ray diffraction. These techniques, used in combination, allowed for measurement of the hydrate structure and composition, while observing the morphology of the hydrate crystals measured. The hydrate formed immediately below the three-phase line (V-L --> V-L-H) and contained crystals that were both light and dark in appearance. The light crystals, which visually were a single solid phase, showed a spectroscopic indication for the presence of occluded free gas in the hydrate. In contrast, the dark crystals were measured to be structure II (sII) without the presence of these occluded phases. Along with hydrate measurements near the decomposition line, an unexpected transformation process was visually observed at P-T-conditions in the stability field of the hydrates. Larger crystallites transformed into a foamy solid upon cooling over this transition line (between 5 and 10 K below the decomposition temperature). Below the transition line, a mixture of sI and sII was detected. This is the first time that these multicomponent systems have been investigated at these pressure and temperature conditions using both visual and spectroscopic techniques. These techniques enabled us to observe and measure the unexpected transformation process showing coexistence of different gas hydrate phases.

Suppression on allotropic transformation of Sn planar anode with enhanced electrochemical performance

NASA Astrophysics Data System (ADS)

Wang, Peng; Hu, Junhua; Cao, Guoqin; Zhang, Shilin; Zhang, Peng; Liang, Changhao; Wang, Zhuo; Shao, Guosheng

2018-03-01

Different configurations of Sn and C films were deposited and used as a planar anode for Li ion battery. The interplay of carbon layer with Sn as supporting and buffering, respectively, was revealed. The suppression on the allotropic transformation to α phase by a carbon layer results in a significantly improved capacity retention rate, which also avoids the crack of Sn film. As expected, a conductive carbon layer improves rating performance. However, a supporting carbon layer (SC) just contributes to the charge transfer process. A DFT approach was used to assess the allotropic transformation process. An additional barrier (∼0.86 eV) exits on the α-β diagram, which is responsible for the irreversibility of α phase back to β phase. An enhanced persistence of β phase in Sn/C anode contributes to cycling performance. A Li rich condition contributes to the stabilization of β-Sn, which is thermodynamically favored. A nano buffering carbon (BC) layer can evidently alleviate the side reaction on Sn surface, which in turn promotes the diffusion of Li ions in electrode and generates a Li rich condition. The direct contact of Sn with electrolyte leads to serious accumulation of α-Sn during cycling and results in a poor cycling performance. By the synergistic effect of BC and SC, a sandwich C/Sn/C structure demonstrates an enchantment in electrochemical behavior.

Correlation between Mechanical Behavior and Actuator-type Performance of Ni-Ti-Pd High-temperature Shape Memory Alloys

NASA Technical Reports Server (NTRS)

Bigelow, Glen S.; Padula, Santo A., II; Garg, Anita; Noebe, Ronald D.

2007-01-01

High-temperature shape memory alloys in the NiTiPd system are being investigated as lower cost alternatives to NiTiPt alloys for use in compact solid-state actuators for the aerospace, automotive, and power generation industries. A range of ternary NiTiPd alloys containing 15 to 46 at.% Pd has been processed and actuator mimicking tests (thermal cycling under load) were used to measure transformation temperatures, work behavior, and dimensional stability. With increasing Pd content, the work output of the material decreased, while the amount of permanent strain resulting from each load-biased thermal cycle increased. Monotonic isothermal tension testing of the high-temperature austenite and low temperature martensite phases was used to partially explain these behaviors, where a mismatch in yield strength between the austenite and martensite phases was observed at high Pd levels. Moreover, to further understand the source of the permanent strain at lower Pd levels, strain recovery tests were conducted to determine the onset of plastic deformation in the martensite phase. Consequently, the work behavior and dimensional stability during thermal cycling under load of the various NiTiPd alloys is discussed in relation to the deformation behavior of the materials as revealed by the strain recovery and monotonic tension tests.

Correlation between mechanical behavior and actuator-type performance of Ni-Ti-Pd high-temperature shape memory alloys

NASA Astrophysics Data System (ADS)

Bigelow, Glen S.; Padula, Santo A., II; Garg, Anita; Noebe, Ronald D.

2007-04-01

High-temperature shape memory alloys in the NiTiPd system are being investigated as lower cost alternatives to NiTiPt alloys for use in compact solid-state actuators for the aerospace, automotive, and power generation industries. A range of ternary NiTiPd alloys containing 15 to 46 at.% Pd has been processed and actuator mimicking tests (thermal cycling under load) were used to measure transformation temperatures, work behavior, and dimensional stability. With increasing Pd content, the work output of the material decreased, while the amount of permanent strain resulting from each load-biased thermal cycle increased. Monotonic isothermal tension testing of the high-temperature austenite and low temperature martensite phases was used to partially explain these behaviors, where a mismatch in yield strength between the austenite and martensite phases was observed at high Pd levels. Moreover, to further understand the source of the permanent strain at lower Pd levels, strain recovery tests were conducted to determine the onset of plastic deformation in the martensite phase. Consequently, the work behavior and dimensional stability during thermal cycling under load of the various NiTiPd alloys is discussed in relation to the deformation behavior of the materials as revealed by the strain recovery and monotonic tension tests.

Phase Transformations and Microstructural Evolution: Part I

DOE PAGES

Clarke, Amy Jean

2015-08-29

The activities of the Phase Transformations Committee of the Materials Processing & Manufacturing Division (MPMD) of The Minerals, Metals & Materials Society (TMS) are oriented toward understanding the fundamental aspects of phase transformations. Emphasis is placed on the thermodynamic driving forces for phase transformations, the kinetics of nucleation and growth, interfacial structures and energies, transformation crystallography, surface reliefs, and, above all, the atomic mechanisms of phase transformations. Phase transformations and microstructural evolution are directly linked to materials processing, properties, and performance, including in extreme environments, of structural metal alloys. In this paper, aspects of phase transformations and microstructural evolution aremore » highlighted from the atomic to the microscopic scale for ferrous and non-ferrous alloys. Many papers from this issue are highlighted with small summaries of their scientific achievements given.« less

Anomalous expansion of Nb nanowires in a NiTi matrix under high pressure

DOE PAGES

Yu, Cun; Ren, Yang; Cui, Lishan; ...

2016-10-17

Under high pressure, materials usually shrink during compression as described by an equation of state. Here, we present the anomalous volume expansion behavior of a one-dimensional Nb nanowire embedded in a NiTi transforming matrix, while the matrix undergoes a pressure-induced martensitic transformation. The Nb volume expansion depends on the NiTi transition pressure range from the matrix, which is controlled by the shear strain induced by different pressure transmitting media. The transformation-induced interfacial stresses between Nb and NiTi may play a major role in this anomaly. In conclusion, our discovery sheds new light on the nano-interfacial effect on mechanical anomalies inmore » heterogeneous systems during a pressure-induced phase transition.« less

Size-dependent interaction of silica nanoparticles with lysozyme and bovine serum albumin proteins

NASA Astrophysics Data System (ADS)

Yadav, Indresh; Aswal, Vinod K.; Kohlbrecher, Joachim

2016-05-01

The interaction of three different sized (diameter 10, 18, and 28 nm) anionic silica nanoparticles with two model proteins—cationic lysozyme [molecular weight (MW) 14.7 kDa)] and anionic bovine serum albumin (BSA) (MW 66.4 kDa) has been studied by UV-vis spectroscopy, dynamic light scattering (DLS), and small-angle neutron scattering (SANS). The adsorption behavior of proteins on the nanoparticles, measured by UV-vis spectroscopy, is found to be very different for lysozyme and BSA. Lysozyme adsorbs strongly on the nanoparticles and shows exponential behavior as a function of lysozyme concentration irrespective of the nanoparticle size. The total amount of adsorbed lysozyme, as governed by the surface-to-volume ratio, increases on lowering the size of the nanoparticles for a fixed volume fraction of the nanoparticles. On the other hand, BSA does not show any adsorption for all the different sizes of the nanoparticles. Despite having different interactions, both proteins induce similar phase behavior where the nanoparticle-protein system transforms from one phase (clear) to two phase (turbid) as a function of protein concentration. The phase behavior is modified towards the lower concentrations for both proteins with increasing the nanoparticle size. DLS suggests that the phase behavior arises as a result of the nanoparticles' aggregation on the addition of proteins. The size-dependent modifications in the interaction potential, responsible for the phase behavior, have been determined by SANS data as modeled using the two-Yukawa potential accounting for the repulsive and attractive interactions in the systems. The protein-induced interaction between the nanoparticles is found to be short-range attraction for lysozyme and long-range attraction for BSA. The magnitude of attractive interaction irrespective of protein type is enhanced with increase in the size of the nanoparticles. The total (attractive+repulsive) potential leading to two-phase formation is found to be more attractive for larger sized nanoparticles. The nanoparticle aggregates are characterized by mass fractal.

Phase Behavior of Ritonavir Amorphous Solid Dispersions during Hydration and Dissolution.

PubMed

Purohit, Hitesh S; Taylor, Lynne S

2017-12-01

The aim of this research was to study the interplay of solid and solution state phase transformations during the dissolution of ritonavir (RTV) amorphous solid dispersions (ASDs). RTV ASDs with polyvinylpyrrolidone (PVP), polyvinylpyrrolidone vinyl acetate (PVPVA) and hydroxypropyl methylcellulose acetate succinate (HPMCAS) were prepared at 10-50% drug loading by solvent evaporation. The miscibility of RTV ASDs was studied before and after exposure to 97% relative humidity (RH). Non-sink dissolution studies were performed on fresh and moisture-exposed ASDs. RTV and polymer release were monitored using ultraviolet-visible spectroscopy. Techniques including fluorescence spectroscopy, confocal imaging, scanning electron microscopy (SEM), atomic force microscopy (AFM), differential scanning calorimetry (DSC) and nanoparticle tracking analysis (NTA) were utilized to monitor solid and the solution state phase transformations. All RTV-PVP and RTV-PVPVA ASDs underwent moisture-induced amorphous-amorphous phase separation (AAPS) on high RH storage whereas RTV-HPMCAS ASDs remained miscible. Non-sink dissolution of PVP- and PVPVA-based ASDs at low drug loadings led to rapid RTV and polymer release resulting in concentrations in excess of amorphous solubility, liquid-liquid phase separation (LLPS) and amorphous nanodroplet formation. High drug loading PVP- and PVPVA-based ASDs did not exhibit LLPS upon dissolution as a consequence of extensive AAPS in the hydrated ASD matrix. All RTV-HPMCAS ASDs led to LLPS upon dissolution. RTV ASD dissolution is governed by a competition between the dissolution rate and the rate of phase separation in the hydrated ASD matrix. LLPS was observed for ASDs where the drug release was polymer controlled and only ASDs that remained miscible during the initial phase of dissolution led to LLPS. Techniques such as fluorescence spectroscopy, confocal imaging and SEM were useful in understanding the phase behavior of ASDs upon hydration and dissolution and were helpful in elucidating the mechanism of generation of amorphous nanodroplets.

Quantitative research on microscopic deformation behavior of Ti-6Al-4V two-phase titanium alloy based on finite element method

NASA Astrophysics Data System (ADS)

Peng, Yan; Chen, Guoxing; Sun, Jianliang; Shi, Baodong

2018-04-01

The microscopic deformation of Ti-6Al-4V titanium alloy shows great inhomogeneity due to its duplex-microstructure that consists of two phases. In order to study the deformation behaviors of the constituent phases, the 2D FE model based on the realistic microstructure is established by MSC.Marc nonlinear FE software, and the tensile simulation is carried out. The simulated global stress-strain response is confirmed by the tensile testing result. Then the strain and stress distribution in the constituent phases and their evolution with the increase of the global strain are analyzed. The results show that the strain and stress partitioning between the two phases are considerable, most of the strain is concentrated in soft primary α phase, while hard transformed β matrix undertakes most of the stress. Under the global strain of 0.05, the deformation bands in the direction of 45° to the stretch direction and the local stress in primary α phase near to the interface between the two phases are observed, and they become more significant when the global strain increases to 0.1. The strain and stress concentration factors of the two phases are obviously different at different macroscopic deformation stages, but they almost tend to be stable finally.

Modeling deformation behavior of Cu-Zr-Al bulk metallic glass matrix composites

NASA Astrophysics Data System (ADS)

Pauly, S.; Liu, G.; Wang, G.; Das, J.; Kim, K. B.; Kühn, U.; Kim, D. H.; Eckert, J.

2009-09-01

In the present work we prepared an in situ Cu47.5Zr47.5Al5 bulk metallic glass matrix composite derived from the shape memory alloy CuZr. We use a strength model, which considers percolation and a three-microstructural-element body approach, to understand the effect of the crystalline phase on the yield stress and the fracture strain under compressive loading, respectively. The intrinsic work-hardenability due to the martensitic transformation of the crystalline phase causes significant work hardening also of the composite material.

Ion Implantation Metallurgy: A Study of the Composition, Structure and Corrosion Behavior of Surface Alloys Formed by Ion Implantation.

DTIC Science & Technology

1980-04-01

spots are due to the " phase ). Dark field imaging of the a" phase shows a large density of small precipitates uniformly distributed in the ferrite . In...density of defect structures and small precipitates of Fe 16N2 (a"). Although there exists some evidence of martensitic transformation in aged speci...implantation into 304 stainless steel ha-s been shown to produce a micro- crystalline surface alloy saturated with P. Combined electrochemical and XPS studies

The influence of tempering process for DP lateritic steel in hardness and microstructure behavior

NASA Astrophysics Data System (ADS)

Hasbi, Muhammad Yunan; Saefudin, Romijarso, Toni Bambang

2018-05-01

In this study, the influence of tempering temperature on dual phase (DP) steel lateritic has been examined. Lateritic is chosen because of its excellence as austenite stabilizer in the formation of martensite and also increase the weldability due to nickel content. The hardness and microstructure behavior of steels were the main focus of this research. One of the goals was to obtain the combination of high strength and ductile materials for automotive application. The specimens used in this study were low carbon steel made by the hot-rolled process and followed by the initial heating process with various temperature (760 °C, 800 °C, 840 °C) continued with rapid cooling. The specimens also conducted by secondary heating with tempering process at 450 °C in an hour with very slow cooling. The experimental results showed that correlation between temperatures with hardness properties of materials. The hardness of the specimens increases as temperature increases. It was because austenite phase has a sufficient time and temperature to form, therefore the amount of transformed austenite becomes martensite was greater. The highest hardness reached by T = 840 °C was 46.98 HRC, it was about 153% from as cast (18.54 HRC). Decreasing in hardness value when the specimen was tempering at 450 °C indicated that martensite phase has been transformed into tempered martensite.

Multi-functional surface acoustic wave sensor for monitoring enviromental and structural condition

NASA Astrophysics Data System (ADS)

Furuya, Y.; Kon, T.; Okazaki, T.; Saigusa, Y.; Nomura, T.

2006-03-01

As a first step to develop a health monitoring system with active and embedded nondestructive evaluation devices for the machineries and structures, multi-functional SAW (surface acoustic wave) device was developed. A piezoelectric LiNbO3(x-y cut) materials were used as a SAW substrate on which IDT(20μm pitch) was produced by lithography. On the surface of a path of SAW between IDTs, environmentally active material films of shape memory Ti50Ni41Cu(at%) with non-linear hysteresis and superelastic Ti48Ni43Cu(at%) with linear deformation behavior were formed by magnetron-sputtering technique. In this study, these two kinds of shape memory alloys SMA) system were used to measure 1) loading level, 2) phase transformation and 3)stress-strain hysteresis under cyclic loading by utilizing their linearity and non-linearity deformation behaviors. Temperature and stress dependencies of SAW signal were also investigated in the non-sputtered film state. Signal amplitude and phase change of SAW were chosen to measure as the sensing parameters. As a result, temperature, stress level, phase transformation in SMA depending on temperature and mechanical damage accumulation could be measured by the proposed multi-functional SAW sensor. Moreover, the wireless SAW sensing system which has a unique feature of no supplying electric battery was constructed, and the same characteristic evaluation is confirmed in comparison with wired case.

Experimental studies of transplutonium metals and compounds under pressure

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

Peterson, J.R.; Haire, R.G.; Benedict, U.

1986-01-01

The structural behavior of the first four transplutonium metals and two Bk-Cf alloys as a function of pressure has been studied in diamond anvil cells via x-ray diffraction. The sequence of structures exhibited as pressure is increased is dhcp ..-->.. ccp ..-->.. orthorhombic. In addition a distorted ccp phase is observed in Am, Bk/sub 0.40/Cf/sub 0.60/, and Cf between the ccp and orthorhombic phases. Diamond anvil cells have also been used to contain AmI/sub 3/, CfBr/sub 3/, and CfCl/sub 3/ under pressure for investigation by absorption spectrophotometry. Both AmI/sub 3/ and CfBr/sub 3/ exhibit pressure-induced, irreversible phase transformations to themore » PuBr/sub 3/-type orthorhombic structure, a more dense form of these compounds. Thus the driving force for these transformations is more efficient crystal packing. Both hexagonal (to 22 GPa) and orthorhombic (to 35 GPa) CfCl/sub 3/ exhibit only reversible spectral changes with pressure. This probably reflects their nearly identical RTP unit cell volumes. In both cases the spectra obtained are consistent with a continuous alteration of the RTP structure with pressure; physical compression seems to make a given f-f transition easier. Additional data are being sought to elucidate more completely the behavior of CfCl/sub 3/ under pressure. 23 refs., 4 figs.« less

Phase Boundary Propagation in Li-Alloying Battery Electrodes Revealed by Liquid-Cell Transmission Electron Microscopy

DOE PAGES

Leenheer, Andrew J.; Jungjohann, Katherine L.; Zavadil, Kevin R.; ...

2016-05-31

Battery cycle life is directly influenced by the microstructural changes occurring in the electrodes during charge and discharge cycles. In this study, we image in situ the nanoscale phase evolution in negative electrode materials for Li-ion batteries using a fully enclosed liquid cell in a transmission electron microscope (TEM) to reveal early degradation that is not evident in the charge–discharge curves. To compare the electrochemical phase transformation behavior between three model materials, thin films of amorphous Si, crystalline Al, and crystalline Au were lithiated and delithiated at controlled rates while immersed in a commercial liquid electrolyte. This method allowed formore » the direct observation of lithiation mechanisms in nanoscale negative electrodes, revealing that a simplistic model of a surface-to-interior lithiation front is insufficient. For the crystalline films, a lithiation front spread laterally from a few initial nucleation points, with continued grain nucleation along the growing interface. The intermediate lithiated phases were identified using electron diffraction, and high-resolution postmortem imaging revealed the details of the final microstructure. Lastly, our results show that electrochemically induced solid–solid phase transformations can lead to highly concentrated stresses at the laterally propagating phase boundary which should be considered for future designs of nanostructured electrodes for Li-ion batteries.« less

Polymorphism in phenobarbital: discovery of a new polymorph and crystal structure of elusive form V.

PubMed

Roy, Saikat; Goud, N Rajesh; Matzger, Adam J

2016-03-21

This report highlights the discovery of a new polymorph of the anticonvulsant drug phenobarbital (PB) using polymer-induced heteronucleation (PIHn) and unravelling the crystal structure of the elusive form V. Both forms are characterized by structural, thermal and VT-Raman spectroscopy methods to elucidate phase transformation behavior and shed light on stability relationships.

Crystallization Behavior of the CaO-Al2O3-MgO System Studied with a Confocal Laser Scanning Microscope

NASA Astrophysics Data System (ADS)

Jung, Sung Suk; Sohn, Il

2012-12-01

The crystallization behavior of a calcium-aluminate system with various MgO content from 2.5 to 7.5 wt pct and CaO/Al2O3 ratios between 0.8 and 1.2 has been examined using a confocal laser scanning microscope (CLSM). CCT (continuous cooling transformation) and time temperature transformation (TTT) diagrams were constructed to identify the primary crystal phase of slag at different compositions and at cooling rates between 25 and 800 K/minutes. In the slag at a CaO/Al2O3 ratio of 1.0, crystallization temperature increased during isothermal and continuous cooling with higher MgO content, and the shortest incubation time was observed at 5 wt pct MgO. When MgO content was fixed to be 5 wt pct, crystallization temperature increased with lower CaO/Al2O3 ratio. According to the slag composition, cooling rates and temperature, the primary phase could be CA, or C5A3, or C3A, or C3MA2, or MgO, and the crystal morphology changes from dendrites to faceted crystals to columnar crystals in this composition range.

The effect of microstructural evolution on hardening behavior of type 17-4PH stainless steel in long-term aging at 350 deg. C

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

Wang Jun; Zou Hong; Li Cong

2006-12-15

The effect of microstructural evolution on hardening behavior of 17-4PH stainless steel in long-term aging at 350 deg. C was studied by X-ray diffraction and transmission electron microscopy. The results showed that there is the matrix of lath martensite and nanometer-sized particles of {epsilon}-Cu precipitated from the matrix after the alloy is solution treated and tempered. When the alloy was aged 350 deg. C for 9 months, {alpha}-{alpha}' spinodal decomposition occurred along the grain boundaries and caused an increase in hardness which compensated for the weakening effect due to ripening of the {epsilon}-copper precipitates. Upon further aging to 12 months,more » the Cr-rich {alpha}'-phase and M{sub 23}C{sub 6} precipitated, both of which strengthened the alloy considerably and led to enhanced hardening despite the continued softening by overaging of the {epsilon}-copper precipitates. With the aging time extended to 15 months, substantial reversed austenite transformed and precipitation of the intermetallic G-phase occurred near the {epsilon}-Cu precipitates in the matrix. The abundant amount of reversed austenite that transformed led to rapid softening.« less

Glass and liquid phase diagram of a polyamorphic monatomic system

NASA Astrophysics Data System (ADS)

Reisman, Shaina; Giovambattista, Nicolas

2013-02-01

We perform out-of-equilibrium molecular dynamics (MD) simulations of a monatomic system with Fermi-Jagla (FJ) pair potential interactions. This model system exhibits polyamorphism both in the liquid and glass state. The two liquids, low-density (LDL) and high-density liquid (HDL), are accessible in equilibrium MD simulations and can form two glasses, low-density (LDA) and high-density amorphous (HDA) solid, upon isobaric cooling. The FJ model exhibits many of the anomalous properties observed in water and other polyamorphic liquids and thus, it is an excellent model system to explore qualitatively the thermodynamic properties of such substances. The liquid phase behavior of the FJ model system has been previously characterized. In this work, we focus on the glass behavior of the FJ system. Specifically, we perform systematic isothermal compression and decompression simulations of LDA and HDA at different temperatures and determine "phase diagrams" for the glass state; these phase diagrams varying with the compression/decompression rate used. We obtain the LDA-to-HDA and HDA-to-LDA transition pressure loci, PLDA-HDA(T) and PHDA-LDA(T), respectively. In addition, the compression-induced amorphization line, at which the low-pressure crystal (LPC) transforms to HDA, PLPC-HDA(T), is determined. As originally proposed by Poole et al. [Phys. Rev. E 48, 4605 (1993)], 10.1103/PhysRevE.48.4605 simulations suggest that the PLDA-HDA(T) and PHDA-LDA(T) loci are extensions of the LDL-to-HDL and HDL-to-LDL spinodal lines into the glass domain. Interestingly, our simulations indicate that the PLPC-HDA(T) locus is an extension, into the glass domain, of the LPC metastability limit relative to the liquid. We discuss the effects of compression/decompression rates on the behavior of the PLDA-HDA(T), PHDA-LDA(T), PLPC-HDA(T) loci. The competition between glass polyamorphism and crystallization is also addressed. At our "fast rate," crystallization can be partially suppressed and the glass phase diagram can be related directly with the liquid phase diagram. However, at our "slow rate," crystallization cannot be prevented at intermediate temperatures, within the glass region. In these cases, multiple crystal-crystal transformations are found upon compression/decompression (polymorphism).

Glass and liquid phase diagram of a polyamorphic monatomic system.

PubMed

Reisman, Shaina; Giovambattista, Nicolas

2013-02-14

We perform out-of-equilibrium molecular dynamics (MD) simulations of a monatomic system with Fermi-Jagla (FJ) pair potential interactions. This model system exhibits polyamorphism both in the liquid and glass state. The two liquids, low-density (LDL) and high-density liquid (HDL), are accessible in equilibrium MD simulations and can form two glasses, low-density (LDA) and high-density amorphous (HDA) solid, upon isobaric cooling. The FJ model exhibits many of the anomalous properties observed in water and other polyamorphic liquids and thus, it is an excellent model system to explore qualitatively the thermodynamic properties of such substances. The liquid phase behavior of the FJ model system has been previously characterized. In this work, we focus on the glass behavior of the FJ system. Specifically, we perform systematic isothermal compression and decompression simulations of LDA and HDA at different temperatures and determine "phase diagrams" for the glass state; these phase diagrams varying with the compression/decompression rate used. We obtain the LDA-to-HDA and HDA-to-LDA transition pressure loci, P(LDA-HDA)(T) and P(HDA-LDA)(T), respectively. In addition, the compression-induced amorphization line, at which the low-pressure crystal (LPC) transforms to HDA, P(LPC-HDA)(T), is determined. As originally proposed by Poole et al. [Phys. Rev. E 48, 4605 (1993)] simulations suggest that the P(LDA-HDA)(T) and P(HDA-LDA)(T) loci are extensions of the LDL-to-HDL and HDL-to-LDL spinodal lines into the glass domain. Interestingly, our simulations indicate that the P(LPC-HDA)(T) locus is an extension, into the glass domain, of the LPC metastability limit relative to the liquid. We discuss the effects of compression/decompression rates on the behavior of the P(LDA-HDA)(T), P(HDA-LDA)(T), P(LPC-HDA)(T) loci. The competition between glass polyamorphism and crystallization is also addressed. At our "fast rate," crystallization can be partially suppressed and the glass phase diagram can be related directly with the liquid phase diagram. However, at our "slow rate," crystallization cannot be prevented at intermediate temperatures, within the glass region. In these cases, multiple crystal-crystal transformations are found upon compression/decompression (polymorphism).

Nanosized copper ferrite materials: Mechanochemical synthesis and characterization

NASA Astrophysics Data System (ADS)

Manova, Elina; Tsoncheva, Tanya; Paneva, Daniela; Popova, Margarita; Velinov, Nikolay; Kunev, Boris; Tenchev, Krassimir; Mitov, Ivan

2011-05-01

Nanodimensional powders of cubic copper ferrite are synthesized by two-steps procedure of co-precipitation of copper and iron hydroxide carbonates, followed by mechanochemical treatment. X-ray powder diffraction, Mössbauer spectroscopy and temperature-programmed reduction are used for the characterization of the obtained materials. Their catalytic behavior is tested in methanol decomposition to hydrogen and CO and total oxidation of toluene. Formation of nanosized ferrite material is registered even after one hour of milling time. It is established that the prolonging of treatment procedure decreases the dispersion of the obtained product with the appearance of Fe 2O 3. It is demonstrated that the catalytic behavior of the samples depends not only on their initial phase composition, but on the concomitant ferrite phase transformations by the influence of the reaction medium.

Effects of Stoichiometry on Transformation Temperatures and Actuator-Type Performance of NiTiPd and NiTiPdX High-Temperature Shape Memory Alloys

NASA Technical Reports Server (NTRS)

Bigelow, Glen S.; Gaydosh, Darrell; Garg, Anita; Padula, Santo A., II; Noebe, Ronald D.

2007-01-01

High-temperature shape memory NiTiPd and NiTiPdX (X=Au, Pt, Hf) alloys were produced with titanium equivalent (Ti+Hf) compositions of 50.5, 50.0, 49.5, and 49.0 at.%. Thermo-mechanical testing in compression was used to evaluate the transformation temperatures, transformation strain, work output, and permanent deformation behavior of each alloy to study the effects of quaternary alloying and stoichiometry on high-temperature shape memory alloy behavior. Microstructural evaluation showed the presence of second phases for all alloy compositions. No load transformation temperatures in the stoichiometric alloys were relatively unchanged by Au and Pt substitutions, while the substitution of Hf for Ti causes a drop in transformation temperatures. The NiTiPd, NiTiPdAu and NiTiPdHf alloys exhibited transformation temperatures that were highest in the Ti-rich compositions, slightly lower at stoichiometry, and significantly reduced when the Ti equivalent composition was less than 50 at.%. For the NiTiPdPt alloy, transformation temperatures were highest for the Ti-rich compositions, lowest at stoichiometry, and slightly higher in the Ni-rich composition. When thermally cycled under constant stresses of up to 300 MPa, all of the alloys had transformation strains, and therefore work outputs, which increased with increasing stress. In each series of alloys, the transformation strain and thus work output was highest for stoichiometric or Ti-rich compositions while permanent strain associated with the constant-load thermal cycling was lowest for alloys with Ni-equivalent-rich compositions. Based on these results, basic rules for optimizing the composition of NiTiPd alloys for actuator performance will be discussed.

Structure analysis of BaCe{sub 0.8}Y{sub 0.2}O{sub 3−δ} in dry and wet atmospheres by high-temperature X-ray diffraction measurement

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

Han, Donglin, E-mail: han.donglin.8n@kyoto-u.ac.jp; Majima, Masatoshi; Uda, Tetsuya, E-mail: materials_process@aqua.mtl.kyoto-u.ac.jp

2013-09-15

High temperature X-ray diffraction measurements were performed under dry and wet atmospheres to investigate phase behavior of BaCe{sub 0.8}Y{sub 0.2}O{sub 3−δ} (BCY20). In the temperature range of 30–400 °C, BCY20 was identified to be rhombohedral and monoclinic structures in dry and wet atmospheres, respectively. Larger lattice volumes were obtained in a wet atmosphere due to a chemical expansion induced by water incorporation. A gradual change in diffraction peak shape due to a phase transformation from rhombohedral to monoclinic was observed at 300 °C when moisture was introduced into the atmosphere. These results indicated clearly the dependence of phase behavior ofmore » BCY20 on partial pressure of water vapor in atmosphere. - Graphical abstract: A BaCe{sub 0.8}Y{sub 0.2}O{sub 3−δ} rhombohedral phase transited to a monoclinic phase at 300 °C when moisture was introduced into the atmosphere. Display Omitted - Highlights: • Different structures for hydrated and dehydrated BaCe{sub 0.8}Y{sub 0.2}O{sub 3−δ} (BCY20). • Slow phase transition from rhombohedral to monoclinic at 300 °C in wet atmosphere. • Chemical expansion of BCY20 in wet atmosphere. • Importance of considering moisture when discussing phase behavior of BCY20.« less

Metallurgical characterization of controlled memory wire nickel-titanium rotary instruments.

PubMed

Shen, Ya; Zhou, Hui-Min; Zheng, Yu-Feng; Campbell, Les; Peng, Bin; Haapasalo, Markus

2011-11-01

To improve the fracture resistance of nickel-titanium (NiTi) files, manufacturers have introduced new alloys and developed new manufacturing processes for the fabrication of NiTi files. This study aimed to examine the phase transformation behavior and microstructure of NiTi instruments from a novel controlled memory NiTi wire (CM wire). Instruments of EndoSequence (ES), ProFile (PF), ProFile Vortex (Vortex), Twisted Files (TF), Typhoon (TYP), and Typhoon™ CM (TYP CM), all size 25/.04, were examined by differential scanning calorimetry (DSC) and x-ray diffraction (XRD). Microstructures of etched instruments were observed by optical microscopy and scanning electron microscopy with x-ray energy-dispersive spectrometric (EDS) analyses. The DSC analyses showed that each segment of the TYP CM and Vortex instruments had an austenite transformation completion or austenite-finish (A(f)) temperature exceeding 37°C, whereas the NiTi instruments made from conventional superelastic NiTi wire (ES, PF, and TYP) and TF had A(f) temperatures substantially below mouth temperature. The higher A(f) temperature of TYP CM instruments was consistent with a mixture of austenite and martensite structure, which was observed at room temperature with XRD. All NiTi instruments had room temperature martensite microstructures consisting of colonies of lenticular features with substantial twinning. EDS analysis indicated that the precipitates in all NiTi instruments were titanium-rich, with an approximate composition of Ti(2)Ni. The TYP CM and Vortex instruments with heat treatment contribute to increase austenite transformation temperature. The CM instrument has significant changes in the phase transformation behavior, compared with conventional superelastic NiTi instruments. Copyright © 2011 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Modelling Metamorphism by Abstract Interpretation

NASA Astrophysics Data System (ADS)

Dalla Preda, Mila; Giacobazzi, Roberto; Debray, Saumya; Coogan, Kevin; Townsend, Gregg M.

Metamorphic malware apply semantics-preserving transformations to their own code in order to foil detection systems based on signature matching. In this paper we consider the problem of automatically extract metamorphic signatures from these malware. We introduce a semantics for self-modifying code, later called phase semantics, and prove its correctness by showing that it is an abstract interpretation of the standard trace semantics. Phase semantics precisely models the metamorphic code behavior by providing a set of traces of programs which correspond to the possible evolutions of the metamorphic code during execution. We show that metamorphic signatures can be automatically extracted by abstract interpretation of the phase semantics, and that regular metamorphism can be modelled as finite state automata abstraction of the phase semantics.

Phase transformation and microstructural evolution of nanostructured oxides and nitrides under ion irradiations

NASA Astrophysics Data System (ADS)

Lu, Fengyuan

Material design at the nanometer scale is an effective strategy for developing advanced materails with enhanced radiation tolerance for advanced nuclear energy systems as high densities of surfaces and interfaces of the nanostructured materials may behave as effective sinks for defect recovery. However, nanostructured materials may not be intrinsically radiation tolerant, and the interplay among the factors of crystal size, temperature, chemical composition, surface energy and radiation conditions may eventually determine material radiation behaviors. Therefore, it is necessary to understand the radiation effects of nanostructured materials and the underlying physics for the design of advanced nanostructured nuclear materials. The main objective of this doctoral thesis is to study the behavior of nanostructured oxides and nitrides used as fuel matrix and waste forms under extreme radiation conditions with the focus of phase transformation, microstructural evolution and damage mechanisms. Radiation experiments were performed using energetic ion beam techniques to simulate radiation damage resulting from energetic neutrons, alpha-decay events and fission fragments, and various experimental approaches were employed to characterize materials’ microstructural evolution and phase stability upon intense radiation environments including transmission electron microscopy (TEM), X-ray diffraction (XRD) and Raman spectroscopy. Thermal annealing experiments indicated that nanostructured ZrO2 phase stability is strongly affected by the grain size. Radiation results on nanostructured ZrO2 indicated that thermodynamically unstable or metastable high temperature phases can be induced by energetic beam irradiation at room temperature. Various phase transformation among different polymorphs of monoclinic, tetragonal and amorphous states can be induced, and different mechanisms are responsible for structural transformations including oxygen vacancies accumulation upon displacive damage, radiation-assistant recrystallization and thermal spike by ionization radiation. The radiation response of nanosized pyrochlores indicated that the radiation tolerance of nanoceramics is highly dependent on the composition and size. Nanosized tantalate pyrochlores KxLnyTa2O 7-v (Ln = Gd, Y, Lu) with the average grain size around 10 - 15 nm are highly sensitive to radiation-induced amorphization. The pyrochlore A to B site ionic radius ratio rA/rB is crucial in determining the radiation tolerance of pyrochlores, and a minimum rA/rB of 1.605 exists for the occurring of radiation induced amorphization. The interplay among chemical compositions, structural deviation and grain size eventually determines the phase stability and structural transformation processes of tantalate pyrochlores under intense radiation environments. ZrN shows extremely high phase stability under both displacive ion irradiation and ionizing swift heavy ion irradiation. However, a contraction in lattice constant up to ~ 1.42 % can be induced in nanocrystalline ZrN irradiated with displacive ion beams. In contrast, the strongly ionizing swift heavy ions cannot induce any lattice contraction. Such lattice contractions may be due to a negative strain field in the ZrN nanograins related to N vacancies built up upon displacive radiation. Ion irradiations also lead to the formation of orthorhombic ZrSi phase at the interface between ZrN and Si substrate, resulting from atom mixing and precipitation upon ion irradiations. The fundamental knowledge provides critical data for assessing and quantifying nanostructured ceramics as fuel matrix and waste forms utilized in the extreme environments of advanced nuclear energy systems. Further possibilities are being pursued in manipulating microstructure at the nano-scale, controlling phase stability and tailoring the physical properties of materials for various important engineering applications.

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials

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

Subedi, Alaska; Siegrist, Theo; Singh, David J.

Ge 2Sb 2Te 5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long lived at ambient temperature. These states have remarkably different physical properties including very different optical constants in the visible in strong contrast to common glass formers such as silicates or phosphates. This behavior has been described in terms of resonant bonding, but puzzles remain, particularly regarding different physical properties of crystalline and amorphous phases. Here we show that there is a strongmore » competition between ionic and covalent bonding in cubic phase providing a link between the chemical basis of phase change memory property and origins of giant responses of piezoelectric materials (PbTiO 3, BiFeO 3). This has important consequences for dynamical behavior in particular leading to a simultaneous hardening of acoustic modes and softening of high frequency optic modes in crystalline phase relative to amorphous. As a result, this different bonding in amorphous and crystalline phases provides a direct explanation for different physical properties and understanding of the combination of long time stability and rapid switching and may be useful in finding new phase change compositions with superior properties.« less

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials

DOE PAGES

Subedi, Alaska; Siegrist, Theo; Singh, David J.; ...

2016-05-19

Ge 2Sb 2Te 5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long lived at ambient temperature. These states have remarkably different physical properties including very different optical constants in the visible in strong contrast to common glass formers such as silicates or phosphates. This behavior has been described in terms of resonant bonding, but puzzles remain, particularly regarding different physical properties of crystalline and amorphous phases. Here we show that there is a strongmore » competition between ionic and covalent bonding in cubic phase providing a link between the chemical basis of phase change memory property and origins of giant responses of piezoelectric materials (PbTiO 3, BiFeO 3). This has important consequences for dynamical behavior in particular leading to a simultaneous hardening of acoustic modes and softening of high frequency optic modes in crystalline phase relative to amorphous. As a result, this different bonding in amorphous and crystalline phases provides a direct explanation for different physical properties and understanding of the combination of long time stability and rapid switching and may be useful in finding new phase change compositions with superior properties.« less

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials.

PubMed

Mukhopadhyay, Saikat; Sun, Jifeng; Subedi, Alaska; Siegrist, Theo; Singh, David J

2016-05-19

Ge2Sb2Te5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long lived at ambient temperature. These states have remarkably different physical properties including very different optical constants in the visible in strong contrast to common glass formers such as silicates or phosphates. This behavior has been described in terms of resonant bonding, but puzzles remain, particularly regarding different physical properties of crystalline and amorphous phases. Here we show that there is a strong competition between ionic and covalent bonding in cubic phase providing a link between the chemical basis of phase change memory property and origins of giant responses of piezoelectric materials (PbTiO3, BiFeO3). This has important consequences for dynamical behavior in particular leading to a simultaneous hardening of acoustic modes and softening of high frequency optic modes in crystalline phase relative to amorphous. This different bonding in amorphous and crystalline phases provides a direct explanation for different physical properties and understanding of the combination of long time stability and rapid switching and may be useful in finding new phase change compositions with superior properties.

In Situ TEM Nanoindentation Studies on Stress-Induced Phase Transformations in Metallic Materials

DOE PAGES

Liu, Y.; Wang, H.; Zhang, X.

2015-11-30

Though abundant phase transformations are in general thermally driven processes, there are many examples wherein stresses can induce phase transformations. We applied numerous in situ techniques, such as in situ x-ray diffraction and neutron diffraction in order to reveal phase transformations. Recently, an in situ nanoindentation technique coupled with transmission electron microscopy demonstrated the capability to directly correlating stresses with phase transformations and microstructural evolutions at a submicron length scale. We briefly review in situ studies on stress-induced diffusional and diffusionless phase transformations in amorphous CuZrAl alloy and NiFeGa shape memory alloy. Moreover, in the amorphous CuZrAl, in situ nanoindentationmore » studies show that the nucleation of nanocrystals (a diffusional process) occurs at ultra-low stresses manifested by a prominent stress drop. In the NiFeGa shape memory alloy, two distinctive types of martensitic (diffusionless) phase transformations accompanied by stress plateaus are observed, including a reversible gradual phase transformation at low stress levels, and an irreversible abrupt phase transition at higher stress levels.« less

Vibration mode and vibration shape under excitation of a three phase model transformer core

NASA Astrophysics Data System (ADS)

Okabe, Seiji; Ishigaki, Yusuke; Omura, Takeshi

2018-04-01

Structural vibration characteristics and vibration shapes under three-phase excitation of a archetype transformer core were investigated to consider their influences on transformer noise. Acoustic noise and vibration behavior were measured in a three-limb model transformer core. Experimental modal analysis by impact test was performed. The vibration shapes were measured by a laser scanning vibrometer at different exciting frequencies. Vibration amplitude of the core in out-of-plane direction were relatively larger than those in other two in-plane directions. It was consistent with the result that the frequency response function of the core in out-of-plane direction was larger by about 20 dB or more than those in in-plane directions. There were many vibration modes having bending deformation of limbs in out-of-plane direction. The vibration shapes of the core when excited at 50 Hz and 60 Hz were almost the same because the fundamental frequencies of the vibration were not close to the resonance frequencies. When excitation frequency was 69 Hz which was half of one of the resonance frequencies, the vibration shape changed to the one similar to the resonance vibration mode. Existence of many vibration modes in out-of-plane direction of the core was presumed to be a reason why frequency characteristics of magnetostriction and transformer noise do not coincide.

Non-stationary dynamics in the bouncing ball: A wavelet perspective

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

Behera, Abhinna K., E-mail: abhinna@iiserkol.ac.in; Panigrahi, Prasanta K., E-mail: pprasanta@iiserkol.ac.in; Sekar Iyengar, A. N., E-mail: ansekar.iyengar@saha.ac.in

2014-12-01

The non-stationary dynamics of a bouncing ball, comprising both periodic as well as chaotic behavior, is studied through wavelet transform. The multi-scale characterization of the time series displays clear signatures of self-similarity, complex scaling behavior, and periodicity. Self-similar behavior is quantified by the generalized Hurst exponent, obtained through both wavelet based multi-fractal detrended fluctuation analysis and Fourier methods. The scale dependent variable window size of the wavelets aptly captures both the transients and non-stationary periodic behavior, including the phase synchronization of different modes. The optimal time-frequency localization of the continuous Morlet wavelet is found to delineate the scales corresponding tomore » neutral turbulence, viscous dissipation regions, and different time varying periodic modulations.« less

Effect of Aging Treatment on the Compressibility and Recovery of NiTi Shape Memory Alloys as Static Seals

NASA Astrophysics Data System (ADS)

Lu, Xiaofeng; Li, Gang; Liu, Luwei; Zhu, Xiaolei; Tu, Shan-Tung

2017-07-01

The improvement of the compressibility and recovery of the gaskets can decrease the leakage occurrence in bolted flange connections. In this study, the effect of aging treatment on the compressibility and recovery of NiTi shape memory alloys is investigated as static seals together with thermal analysis. The experimental results indicate that different phase transformations of NiTi alloys are exhibited in the DSC curves during aging treatment. The recovery coefficient of NiTi alloys aged at 500 °C for 2 h is quite low accompanied with a large residual strain. With increasing aging time at the aging temperature of 400 °C, the residual strain and area of hysteresis loop of NiTi alloys are both increased, whereas the recovery coefficient is decreased. Since the deformation associates the phase transformation behavior, aging treatment could improve the compressibility and recovery of NiTi alloys as static seals.

Tailoring Selective Laser Melting Process Parameters for NiTi Implants

NASA Astrophysics Data System (ADS)

Bormann, Therese; Schumacher, Ralf; Müller, Bert; Mertmann, Matthias; de Wild, Michael

2012-12-01

Complex-shaped NiTi constructions become more and more essential for biomedical applications especially for dental or cranio-maxillofacial implants. The additive manufacturing method of selective laser melting allows realizing complex-shaped elements with predefined porosity and three-dimensional micro-architecture directly out of the design data. We demonstrate that the intentional modification of the applied energy during the SLM-process allows tailoring the transformation temperatures of NiTi entities within the entire construction. Differential scanning calorimetry, x-ray diffraction, and metallographic analysis were employed for the thermal and structural characterizations. In particular, the phase transformation temperatures, the related crystallographic phases, and the formed microstructures of SLM constructions were determined for a series of SLM-processing parameters. The SLM-NiTi exhibits pseudoelastic behavior. In this manner, the properties of NiTi implants can be tailored to build smart implants with pre-defined micro-architecture and advanced performance.

Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics

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

Zhou, Xiaowang; Heo, Tae Wook; Wood, Brandon C.

Solid-state hydrogen storage materials undergo complex phase transformations whose kinetics is often limited by hydrogen diffusion. Among metal hydrides, palladium hydride undergoes a diffusional phase transformation upon hydrogen uptake, during which the hydrogen diffusivity varies with hydrogen composition and temperature. Here we perform robust statistically-averaged molecular dynamics simulations to obtain a well-converged analytical expression for hydrogen diffusivity in bulk palladium that is valid throughout all stages of the reaction. Our studies confirm significant dependence of the diffusivity on composition and temperature that elucidate key trends in the available experimental measurements. Whereas at low hydrogen compositions, a single process dominates, atmore » high hydrogen compositions, diffusion is found to exhibit behavior consistent with multiple hopping barriers. Further analysis, supported by nudged elastic band computations, suggests that the multi-barrier diffusion can be interpreted as two distinct mechanisms corresponding to hydrogen-rich and hydrogen-poor local environments.« less

Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics

DOE PAGES

Zhou, Xiaowang; Heo, Tae Wook; Wood, Brandon C.; ...

2018-03-09

Solid-state hydrogen storage materials undergo complex phase transformations whose kinetics is often limited by hydrogen diffusion. Among metal hydrides, palladium hydride undergoes a diffusional phase transformation upon hydrogen uptake, during which the hydrogen diffusivity varies with hydrogen composition and temperature. Here we perform robust statistically-averaged molecular dynamics simulations to obtain a well-converged analytical expression for hydrogen diffusivity in bulk palladium that is valid throughout all stages of the reaction. Our studies confirm significant dependence of the diffusivity on composition and temperature that elucidate key trends in the available experimental measurements. Whereas at low hydrogen compositions, a single process dominates, atmore » high hydrogen compositions, diffusion is found to exhibit behavior consistent with multiple hopping barriers. Further analysis, supported by nudged elastic band computations, suggests that the multi-barrier diffusion can be interpreted as two distinct mechanisms corresponding to hydrogen-rich and hydrogen-poor local environments.« less

Processing - microstructure relationships of chemically vapor deposited zirconia fiber coating for environmentally durable silicon carbide/silicon carbide composites

NASA Astrophysics Data System (ADS)

Lee, Jinil

In SiC/SiC ceramic matrix composites, toughness is obtained by adding a fiber coating which provides a weak interface for crack deflection and debonding between the fiber and the matrix. However, the most commonly used fiber coatings, carbon and boron nitride, are unstable in oxidative environments. In the present study, the feasibility of using a chemically vapor deposited zirconia (CVD-ZrO 2) fiber coating as an oxidation-resistant interphase for SiC/SiC composites was investigated. The feasibility of the CVD-ZrO2 coating as a useful interphase for SiC/SiC composites was investigated with emphasis on developing critical processing-microstructure relationships. A study of morphological evolution in the CVD-ZrO2 coating suggested that a size-controlled displacive phase transformation from tetragonal ZrO2 (t-ZrO2) to monoclinic ZrO2 (m-ZrO2) was the key mechanism responsible for the weak interface behavior exhibited by the ZrO2 coating. The pre-delamination occurred as a result of (i) continuous formation of t-ZrO2 nuclei on the deposition surface; (ii) martensitic transformation of the tetragonal phase to a monoclinic phase upon reaching a critical grain size; and (iii) development of significant compressive hoop stresses due to the volume dilation associated with the transformation. We also discovered that low oxygen partial pressure in the CVD reactor was required for the nucleation of t-ZrO2 and was ultimately responsible for the delamination behavior. The effects of oxygen partial pressure on the nucleation behavior of the CVD-ZrO2 coating was systematically studied by intentionally adding the controlled amount of O2 into the CVD chamber. Characterization results suggested that the number density of t-ZrO2 nuclei apparently decreased with increasing the oxygen partial pressure from 0.004 to 1.6 Pa. Also, the coating layer became more columnar and contained larger m-ZrO2 grains. The observed relationships between the oxygen partial pressure and the morphological characteristics of the ZrO 2 coating were explained in the context of the grain size and oxygen deficiency effects which have been previously reported to cause the stabilization of the t-ZrO2 phase in bulk ZrO2 specimens.

Revealing on metallurgical behavior of iron-rich Sm(Co0.65Fe0.26Cu0.07Zr0.02)7.8 sintered magnets

NASA Astrophysics Data System (ADS)

Song, Kuikui; Sun, Wei; Chen, Hongsheng; Yu, Nengjun; Fang, Yikun; Zhu, Minggang; Li, Wei

2017-05-01

The sintered magnets with the nominal composition of Sm(Co0.65Fe0.26Cu0.07Zr0.02)7.8 were prepared by standard metallurgical method. The evolution of phase transformation of the specimens during heat treatments was investigated in detail. After isothermal aging at 1103 K for 20 hrs and step cooling to 673 K and keeping for 10hrs, the remanence Br of the specimens almost keeps constant (˜11.5 kGs), while the intrinsic coercivity Hcj increases from 7.9 to 31.5 kOe. The maximum energy product of the final magnet is close to 32 MGOe. The phase is single phase with 1:7H structure in the specimen A only annealed at 1453 K for 4hrs. It is found that a cellular microstructure with a platelet Z-phase have appeared in the sample after the isothermal aging in 1103 K for 20h, which contain 2:17R, 2:7R and 5:19H phases. Furthermore, the 1:5H phase has appeared after the step cooling to 873 K, together with some 2:17R, 2:7R and 5:19H phases. Interestingly, it is found that the phase transformation has completed after the step cooling to 773 K. And the phase constitution in specimens is stable during the step cooling to 673 K.

Dual Transformer Model based on Standard Circuit Elements for the Study of Low- and Mid-frequency Transients

NASA Astrophysics Data System (ADS)

Jazebi, Saeed

This thesis is a step forward toward achieving the final objective of creating a fully dual model for transformers including eddy currents and nonlinearities of the iron core using the fundamental electrical components already available in the EMTP-type programs. The model is effective for the study of the performance of transformers during power system transients. This is very important for transformer designers, because the insulation of transformers is determined with the overvoltages caused by lightning or switching operations. There are also internally induced transients that occur when a switch is actuated. For example switching actions for reconfiguration of distribution systems that offers economic advantages, or protective actions to clear faults and large short-circuit currents. Many of the smart grid concepts currently under development by many utilities rely heavily on switching to optimize resources that produce transients in the system. On the other hand, inrush currents produce mechanical forces which deform transformer windings and cause malfunction of the differential protection. Also, transformer performance under ferroresonance and geomagnetic induced currents are necessary to study. In this thesis, a physically consistent dual model applicable to single-phase two-winding transformers is proposed. First, the topology of a dual electrical equivalent circuit is obtained from the direct application of the principle of duality. Then, the model parameters are computed considering the variations of the transformer electromagnetic behavior under various operating conditions. Current modeling techniques use different topological models to represent diverse transient situations. The reversible model proposed in this thesis unifies the terminal and topological equivalent circuits. The model remains invariable for all low-frequency transients including deep saturation conditions driven from any of the two windings. The very high saturation region of the iron core magnetizing characteristic is modified with the accurate measurement of the air-core inductance. The air-core inductance is measured using a non-ideal low-power rectifier. Its dc output serves to drive the transformer into deep saturation, and its ripple provides low-amplitude variable excitation. The principal advantage of this method is its simplicity. To model the eddy current effects in the windings, a novel equivalent circuit is proposed. The circuit is derived from the principle of duality and therefore, matches the electromagnetic physical behavior of the transformer windings. It properly models the flux paths and current distribution from dc to MHz. The model is synthesized from a non-uniform concentric discretization of the windings. Concise guidelines are given to optimally calculate the width of the sub-divisions for various transient simulations. To compute the circuit parameters only information about the geometry of the windings and about their material properties is needed. The calculation of the circuit parameters does not require an iterative process. Therefore, the parameters are always real, positive, and free from convergence problems. The proposed model is tested with single-phase transformers for the calculation of magnetizing inrush currents, series ferroresonance, and Geomagnetic Induced Currents (GIC). The electromagnetic transient response of the model is compared to laboratory measurements for validation. Also, 3D finite element simulations are used to validate the electromagnetic behavior of the transformer model. Large manufacturer of transformers, power system designers, and electrical utility companies can benefit from the new model. It simplifies the design and optimization of the transformers' insulation, thereby reducing cost, and enhancing reliability of the system. The model could also be used for inrush current and differential protection studies, geomagnetic induced current studies, harmonic penetration studies, and switching transient studies.

A fitting empirical potential for NiTi alloy and its application

NASA Astrophysics Data System (ADS)

Ren, Guowu; Tang, Tiegang; Sehitoglu, Huseyin

Due to its superelastic behavior, NiTi shape memory alloy receives considerable attentions over a wide range of industrial and commercial applications. Limited to its complex structural transformation and multiple variants, semiempirical potentials for performing large-scale molecular dynamics simulations to investigate the atomistic mechanical process, are very few. In this work, we construct a new interatomic potential for the NiTi alloy by fitting to experimental or ab initio data. The fitting potential correctly predicts the lattice parameter, structural stability, equation of state for cubic B2(austenite) and monoclinic B19'(martensite) phases. In particular the elastic properties(three elastic constants for B2 and thirteen ones for B19') are in satisfactory agreement with the experiments or ab initio calculations. Furthermore, we apply this potential to conduct the molecular dynamics simulations of the mechanical behavior for NiTi alloy and the results capture its reversible transformation.

High-Cycle, Push-Pull Fatigue Fracture Behavior of High-C, Si-Al-Rich Nanostructured Bainite Steel.

PubMed

Zhao, Jing; Ji, Honghong; Wang, Tiansheng

2017-12-29

The high-cycle, push-pull fatigue fracture behavior of high-C, Si-Al-rich nanostructured bainitic steel was studied through the measurement of fatigue limits, a morphology examination and phase composition analysis of the fatigue fracture surface, as well as fractography of the fatigue crack propagation. The results demonstrated that the push-pull fatigue limits at 10⁷ cycles were estimated as 710-889 MPa, for the samples isothermally transformed at the temperature range of 220-260 °C through data extrapolation, measured under the maximum cycle number of 10⁵. Both the interior inclusion and the sample surface constituted the fatigue crack origins. During the fatigue crack propagation, a high amount of secondary cracks were formed in almost parallel arrangements. The apparent plastic deformation occurred in the fracture surface layer, which induced approximately all retained austenite to transform into martensite.

High-Cycle, Push–Pull Fatigue Fracture Behavior of High-C, Si–Al-Rich Nanostructured Bainite Steel

PubMed Central

Zhao, Jing; Ji, Honghong

2017-01-01

The high-cycle, push–pull fatigue fracture behavior of high-C, Si–Al-rich nanostructured bainitic steel was studied through the measurement of fatigue limits, a morphology examination and phase composition analysis of the fatigue fracture surface, as well as fractography of the fatigue crack propagation. The results demonstrated that the push–pull fatigue limits at 107 cycles were estimated as 710–889 MPa, for the samples isothermally transformed at the temperature range of 220–260 °C through data extrapolation, measured under the maximum cycle number of 105. Both the interior inclusion and the sample surface constituted the fatigue crack origins. During the fatigue crack propagation, a high amount of secondary cracks were formed in almost parallel arrangements. The apparent plastic deformation occurred in the fracture surface layer, which induced approximately all retained austenite to transform into martensite. PMID:29286325

Quantitative X-ray Diffraction (QXRD) analysis for revealing thermal transformations of red mud.

PubMed

Liao, Chang-Zhong; Zeng, Lingmin; Shih, Kaimin

2015-07-01

Red mud is a worldwide environmental problem, and many authorities are trying to find an economic solution for its beneficial application or/and safe disposal. Ceramic production is one of the potential waste-to-resource strategies for using red mud as a raw material. Before implementing such a strategy, an unambiguous understanding of the reaction behavior of red mud under thermal conditions is essential. In this study, the phase compositions and transformation processes were revealed for the Pingguo red mud (PRM) heat-treated at different sintering temperatures. Hematite, perovskite, andradite, cancrinite, kaolinite, diaspore, gibbsite and calcite phases were observed in the samples. However, unlike those red mud samples from the other regions, no TiO2 (rutile or anatase) or quartz were observed. Titanium was found to exist mainly in perovskite and andradite while the iron mainly existed in hematite and andradite. A new silico-ferrite of calcium and aluminum (SFCA) phase was found in samples treated at temperatures above 1100°C, and two possible formation pathways for SFCA were suggested. This is the first SFCA phase to be reported in thermally treated red mud, and this finding may turn PRM waste into a material resource for the iron-making industry. Titanium was found to be enriched in the perovskite phase after 1200°C thermal treatment, and this observation indicated a potential strategy for the recovery of titanium from PRM. In addition to noting these various resource recovery opportunities, this is also the first study to quantitatively summarize the reaction details of PRM phase transformations at various temperatures. Copyright © 2015 Elsevier Ltd. All rights reserved.

Influence of processing parameters on microstructure and biocompatibility of surface laser sintered hydroxyapatite-SiO2 composites.

PubMed

Kivitz, E; Görke, R; Schilling, A F; Zhang, J; Heinrich, J G

2013-05-01

Silica-doped hydroxyapatite (HA) is a promising material concerning biocompatibility to natural bone, bioactivity and osteoconductive characteristics. HA exhibits phase transformations during sintering which are attendant to the change in volume and thermal strain. To avoid cracks during sintering, the exact knowledge of the phase transition temperatures is necessary. The sintering behavior of HA can be improved by adding amorphous silica with a low coefficient of thermal expansion. Therefore, the phase transformations in the system HA-SiO2 were analyzed by using differential scanning calorimetry followed by quantitative phase analysis by X-ray diffraction with the Riedveld method. The maximum sintering temperature without reversible phase transformation was defined as 1265°C. In laser surface sintered (LSS) samples, amorphous SiO2 , HA, and Si-α-TCP (or α-TCP) were detected. By comparison, only crystalline phases, such as cristobalite, HA, β-TCP, and Si-α-TCP (or α-TCP), were determined after furnace sintering. Scanning electron microscopy micrographs of furnace sintered and LSS samples show the differences in the resulting microstructures. Biocompatibility was determined by measuring cell activity of osteoblasts cultivated on four laser-sintered materials in the HA-SiO2 system in comparison to normal cell culture plastic. Cell proliferation was similar on all surfaces. The level of the cell activity on day 8 varied depending on the composition of the material and increased linearly as the amorphous SiO2 content rose. Taken together a laser-based method to develop novel biocompatible HA-SiO2 ceramics with adjustable properties and possible applications as orthopedic bioceramics are discussed. Copyright © 2012 Wiley Periodicals, Inc.

Phase-space topography characterization of nonlinear ultrasound waveforms.

PubMed

Dehghan-Niri, Ehsan; Al-Beer, Helem

2018-03-01

Fundamental understanding of ultrasound interaction with material discontinuities having closed interfaces has many engineering applications such as nondestructive evaluation of defects like kissing bonds and cracks in critical structural and mechanical components. In this paper, to analyze the acoustic field nonlinearities due to defects with closed interfaces, the use of a common technique in nonlinear physics, based on a phase-space topography construction of ultrasound waveform, is proposed. The central idea is to complement the "time" and "frequency" domain analyses with the "phase-space" domain analysis of nonlinear ultrasound waveforms. A nonlinear time series method known as pseudo phase-space topography construction is used to construct equivalent phase-space portrait of measured ultrasound waveforms. Several nonlinear models are considered to numerically simulate nonlinear ultrasound waveforms. The phase-space response of the simulated waveforms is shown to provide different topographic information, while the frequency domain shows similar spectral behavior. Thus, model classification can be substantially enhanced in the phase-space domain. Experimental results on high strength aluminum samples show that the phase-space transformation provides a unique detection and classification capabilities. The Poincaré map of the phase-space domain is also used to better understand the nonlinear behavior of ultrasound waveforms. It is shown that the analysis of ultrasound nonlinearities is more convenient and informative in the phase-space domain than in the frequency domain. Copyright © 2017 Elsevier B.V. All rights reserved.

Role of valence electrons in phase transformation kinetics of thallium and its dilute alloys

NASA Technical Reports Server (NTRS)

Ahmed, R.; Ahmed, S.

1991-01-01

The kinetics of the phase transformation of thallium and its dilute alloys were investigated using XRD and calorimetry. Pure thallium exhibits a beta(bcc) to alpha(hcp) phase transformation on cooling at 508 K. With alloying additions, the crystal structure for each phase does not change, although the size of the unit cell increases. The enthalpy and the temperature of phase transformation of each alloy have been determined. The chemical free energy change associated with the phase transformation of each alloy was calculated. The valence electrons make an outstanding contribution to the chemical free energy change required for the phase change.

Phase stability of iron germanate, FeGeO 3, to 127 GPa

DOE PAGES

Dutta, R.; Tracy, S. J.; Stan, C. V.; ...

2017-11-15

The high-pressure behavior of germanates is of interest as these compounds serve as analogs for silicates of the deep Earth. Current theoretical and experimental studies of iron germanate, FeGeO 3, are limited. Here in this paper, we have examined the behavior of FeGeO 3 to 127 GPa using the laser-heated diamond anvil cell combined with in situ synchrotron X-ray diffraction. Upon compression at room temperature, the ambient-pressure clinopyroxene phase transforms to a disordered triclinic phase [FeGeO 3 (II)] at ~ 18 GPa in agreement with earlier studies. An additional phase transition to FeGeO 3 (III) occurs above 54 GPa atmore » room temperature. Laser-heating experiments (~ 1200–2200 K) were conducted at three pressures (33, 54, and 123 GPa) chosen to cover the stability regions of different GeO 2 polymorphs. In all cases, we observe that FeGeO 3 dissociates into GeO 2 + FeO at high pressure and temperature conditions. Neither the perovskite nor the post-perovskite phase was observed up to 127 GPa at ambient or high temperatures. The results are consistent with the behavior of FeSiO 3, which also dissociates into a mixture of the oxides (FeO + SiO 2) at least up to 149 GPa.« less

A study of complex scaling transformation using the Wigner representation of wavefunctions.

PubMed

Kaprálová-Ždánská, Petra Ruth

2011-05-28

The complex scaling operator exp(-θ ̂x̂p/ℏ), being a foundation of the complex scaling method for resonances, is studied in the Wigner phase-space representation. It is shown that the complex scaling operator behaves similarly to the squeezing operator, rotating and amplifying Wigner quasi-probability distributions of the respective wavefunctions. It is disclosed that the distorting effect of the complex scaling transformation is correlated with increased numerical errors of computed resonance energies and widths. The behavior of the numerical error is demonstrated for a computation of CO(2+) vibronic resonances. © 2011 American Institute of Physics

Experimental and Numerical Simulations of Phase Transformations Occurring During Continuous Annealing of DP Steel Strips

NASA Astrophysics Data System (ADS)

Wrożyna, Andrzej; Pernach, Monika; Kuziak, Roman; Pietrzyk, Maciej

2016-04-01

Due to their exceptional strength properties combined with good workability the Advanced High-Strength Steels (AHSS) are commonly used in automotive industry. Manufacturing of these steels is a complex process which requires precise control of technological parameters during thermo-mechanical treatment. Design of these processes can be significantly improved by the numerical models of phase transformations. Evaluation of predictive capabilities of models, as far as their applicability in simulation of thermal cycles thermal cycles for AHSS is considered, was the objective of the paper. Two models were considered. The former was upgrade of the JMAK equation while the latter was an upgrade of the Leblond model. The models can be applied to any AHSS though the examples quoted in the paper refer to the Dual Phase (DP) steel. Three series of experimental simulations were performed. The first included various thermal cycles going beyond limitations of the continuous annealing lines. The objective was to validate models behavior in more complex cooling conditions. The second set of tests included experimental simulations of the thermal cycle characteristic for the continuous annealing lines. Capability of the models to describe properly phase transformations in this process was evaluated. The third set included data from the industrial continuous annealing line. Validation and verification of models confirmed their good predictive capabilities. Since it does not require application of the additivity rule, the upgrade of the Leblond model was selected as the better one for simulation of industrial processes in AHSS production.

In Situ Observation of High-Pressure Phase Transitions in SiO2 Under Shock Loading Using Time Resolved X-Ray Diffraction

NASA Astrophysics Data System (ADS)

Tracy, S. J.; Turneaure, S.; Duffy, T. S.

2016-12-01

Quartz is one of the most abundant minerals in Earth's crust and serves as an archetype for silicate minerals generally. The shock metamorphism of silica is important for understanding and interpreting meteorite impact events. Shock compression of quartz is characterized by a phase transition occurring over a broad mixed-phase region ( 10-40 GPa). Despite decades of study, the nature of this transformation and the structure of the high-pressure phase remain poorly understood. In situ x-ray diffraction data on shock-compressed SiO2 was collected at the Dynamic Compression Sector at the Advanced Photon Source. The behavior both single crystal alpha-quartz and fused silica was investigated under dynamic loading through a series real-time synchrotron x-ray diffraction measurements during peak stresses up to 65 GPa. A two-stage light gas gun was used to accelerate LiF flyer plates that impacted the SiO2 samples resulting in a propagating step-like increase in pressure and temperature behind the shock front. Four consecutive x-ray frames, separated by 153 ns, were collected during the transient loading and unloading. These measurements allow for the determination of time-dependent atomic arrangements, demonstrating that both amorphous silica as well as crystalline alpha-quartz transform to stishovite above 36 GPa. These measurements reveal important information about the role of kinetics as well texture development and potential defect structures in the transformed material.

Luminescence of defects in the structural transformation of layered tin dichalcogenides

NASA Astrophysics Data System (ADS)

Sutter, P.; Komsa, H.-P.; Krasheninnikov, A. V.; Huang, Y.; Sutter, E.

2017-12-01

Layered tin sulfide semiconductors are both of fundamental interest and attractive for energy conversion applications. Sn sulfides crystallize in several stable bulk phases with different Sn:S ratios (SnS2, Sn2S3, and SnS), which can transform into phases with a lower sulfur concentration by introduction of sulfur vacancies (VS). How this complex behavior affects the optoelectronic properties remains largely unknown but is of key importance for understanding light-matter interactions in this family of layered materials. Here, we use the capability to induce VS and drive a transformation between few-layer SnS2 and SnS by electron beam irradiation, combined with in-situ cathodoluminescence spectroscopy and ab-initio calculations to probe the role of defects in the luminescence of these materials. In addition to the characteristic band-edge emission of the endpoint structures, our results show emerging luminescence features accompanying the SnS2 to SnS transformation. Comparison with calculations indicates that the most prominent emission in SnS2 with sulfur vacancies is not due to luminescence from a defect level but involves recombination of excitons bound to neutral VS in SnS2. These findings provide insight into the intrinsic and defect-related optoelectronic properties of Sn chalcogenide semiconductors.

Synthesis and characterization of wide range mesogenic esters based on asymmetrical 2,5-disubstituted 1,3,4-thiadiazole

NASA Astrophysics Data System (ADS)

Tomi, Ivan H. R.; Jaffer, Hamed J.; Aldhaif, Yasmeen A.

2018-04-01

A homologous series of new 13 esters, 4-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)-phenyl-4-alkoxybenzoate, (IVn), based on 1,3,4-thiadiazole core has been synthesized. The structures of these esters were confirmed by Fourier transform infrared spectroscopy, proton nuclear magnetic resonance and mass techniques. Their mesophases behavior was investigated with hot-stage polarizing optical microscope and differential scanning calorimetry. The thermal stability for most of these derivatives was measured by thermal gravimetric analysis. All the target esters showed enantiotropic mesomorphic behaviors with nematic and nematic/smectic C phases. The phase transition temperatures and liquid crystalline properties were affected by the nature of heterocyclic ring and the length of the alkoxy chain. Only the nematic phase was observed in the first 10 derivatives, (n = 1-10), while the last 3, (n = 12, 16 and 18) showed nematic and smectic C phases. These compounds demonstrated high liquid crystalline ranges, both in heating and cooling cycles. The mesomorphic results obtained were compared with the reported analogs of similar constituents.

Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals.

PubMed

Bardhan, Rizia; Hedges, Lester O; Pint, Cary L; Javey, Ali; Whitelam, Stephen; Urban, Jeffrey J

2013-10-01

A quantitative understanding of nanocrystal phase transformations would enable more efficient energy conversion and catalysis, but has been hindered by difficulties in directly monitoring well-characterized nanoscale systems in reactive environments. We present a new in situ luminescence-based probe enabling direct quantification of nanocrystal phase transformations, applied here to the hydriding transformation of palladium nanocrystals. Our approach reveals the intrinsic kinetics and thermodynamics of nanocrystal phase transformations, eliminating complications of substrate strain, ligand effects and external signal transducers. Clear size-dependent trends emerge in nanocrystals long accepted to be bulk-like in behaviour. Statistical mechanical simulations show these trends to be a consequence of nanoconfinement of a thermally driven, first-order phase transition: near the phase boundary, critical nuclei of the new phase are comparable in size to the nanocrystal itself. Transformation rates are then unavoidably governed by nanocrystal dimensions. Our results provide a general framework for understanding how nanoconfinement fundamentally impacts broad classes of thermally driven solid-state phase transformations relevant to hydrogen storage, catalysis, batteries and fuel cells.

Phase transformation of GaAs at high pressures and temperatures

NASA Astrophysics Data System (ADS)

Ono, Shigeaki; Kikegawa, Takumi

2018-02-01

The high-pressure behavior of gallium arsenide, GaAs, has been investigated using an in-situ X-ray powder diffraction technique in a diamond anvil cell combined with a resistance heating method, at pressures and temperatures up to 25 GPa and 1000 K respectively. The pressure-induced phase transition from a zincblende to an orthorhombic (Cmcm) structure was observed. This transition occurred at 17.3 GPa and at room temperature, where a negative temperature dependence for this transition was confirmed. The transition boundary was determined to be P (GPa) = 18.0 - 0.0025 × T (K).

Tailoring the Microstructure of Sol–Gel Derived Hydroxyapatite/Zirconia Nanocrystalline Composites

PubMed Central

2011-01-01

In this study, we tailor the microstructure of hydroxyapatite/zirconia nanocrystalline composites by optimizing processing parameters, namely, introducing an atmosphere of water vapor during sintering in order to control the thermal stability of hydroxyapatite, and a modified sol–gel process that yields to an excellent intergranular distribution of zirconia phase dispersed intergranularly within the hydroxyapatite matrix. In terms of mechanical behavior, SEM images of fissure deflection and the presence of monoclinic ZrO2 content on cracked surface indicate that both toughening mechanisms, stress-induced tetragonal to monoclinic phase transformation and deflection, are active for toughness enhancement. PMID:24764458

Holographic recording materials development. [using stilbene, indigo, and thioindigo derivatives

NASA Technical Reports Server (NTRS)

1975-01-01

The area of organic cis-trans photoisomerization systems for holographic memory applications was examined. Photochemical studies were made of stilbene, indigo, and thioindigo derivatives in solution and in a variety of polymer matrix materials, to optimize the photorefractive behavior of the chemical system as a whole. Lithium niobate was used to study the writing and reading efficiencies of thick phase holograms. Both phase-wave holograms and Fourier-transform holograms were employed, and a number of reconstruction techniques are discussed. The possibility of using cis-trans photoisomerization of appropriate organic chemicals as the basis for a holographic recording system is confirmed.

The phase diagram of hydrogen in ultra thin films

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

Jisrawi, N.M.; Ruckman, M.W.; Reisfeld, G.

This paper, we discuss changes in the phase diagram of hydrogen in both bilayer (i.e. 200-2000 {Angstrom} Nb/100 {Angstrom} Pd on glass) and multilayer configurations. Comparison of x-ray diffraction, electrical resistivity and volumetric measurements of the films before and after hydrogen charging indicate that the phase equilibria between a correlated (high concentration) and a dilute phase of hydrogen in Nb is not sensitive to the number of layers in the films. On the other hand, the experimental methods show different behavior for 200 {Angstrom} thick Nb films and thicker (>400 {Angstrom}) Nb layers. The diffraction results also show that, whilemore » charging with hydrogen, the Nb layers mainly expand along the surface normal of the films, while the Pd layers expand in all directions equally, and transform to the bulk {alpha} phase.« less

Review: mechanical behavior of metal/ceramic interfaces in nanolayered composites—experiments and modeling

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

Li, Nan; Liu, Xiang-Yang

In this study, recent experimental and modeling studies in nanolayered metal/ceramic composites are reviewed, with focus on the mechanical behaviors of metal/nitrides interfaces. The experimental and modeling studies of the slip systems in bulk TiN are reviewed first. Then, the experimental studies of interfaces, including co-deformation mechanism by micropillar compression tests, in situ TEM straining tests for the dynamic process of the co-deformation, thickness-dependent fracture behavior, and interrelationship among the interfacial bonding, microstructure, and mechanical response, are reviewed for the specific material systems of Al/TiN and Cu/TiN multilayers at nanoscale. The modeling studies reviewed cover first-principles density functional theory-based modeling,more » atomistic molecular dynamics simulations, and mesoscale modeling of nanolayered composites using discrete dislocation dynamics. The phase transformation between zinc-blende and wurtzite AlN phases in Al/AlN multilayers at nanoscale is also reviewed. Finally, a summary and perspective of possible research directions and challenges are given.« less

Review: mechanical behavior of metal/ceramic interfaces in nanolayered composites—experiments and modeling

DOE PAGES

Li, Nan; Liu, Xiang-Yang

2017-11-03

In this study, recent experimental and modeling studies in nanolayered metal/ceramic composites are reviewed, with focus on the mechanical behaviors of metal/nitrides interfaces. The experimental and modeling studies of the slip systems in bulk TiN are reviewed first. Then, the experimental studies of interfaces, including co-deformation mechanism by micropillar compression tests, in situ TEM straining tests for the dynamic process of the co-deformation, thickness-dependent fracture behavior, and interrelationship among the interfacial bonding, microstructure, and mechanical response, are reviewed for the specific material systems of Al/TiN and Cu/TiN multilayers at nanoscale. The modeling studies reviewed cover first-principles density functional theory-based modeling,more » atomistic molecular dynamics simulations, and mesoscale modeling of nanolayered composites using discrete dislocation dynamics. The phase transformation between zinc-blende and wurtzite AlN phases in Al/AlN multilayers at nanoscale is also reviewed. Finally, a summary and perspective of possible research directions and challenges are given.« less

Microstructure Evolution and Mechanical Behavior of a CMnSiAl TRIP Steel Subjected to Partial Austenitization Along with Quenching and Partitioning Treatment

NASA Astrophysics Data System (ADS)

Kong, H.; Chao, Q.; Cai, M. H.; Pavlina, E. J.; Rolfe, B.; Hodgson, P. D.; Beladi, H.

2018-02-01

The present study investigated the microstructure evolution and mechanical behavior in a low carbon CMnSiAl transformation-induced plasticity (TRIP) steel, which was subjected to a partial austenitization at 1183 K (910 °C) followed by one-step quenching and partitioning (Q&P) treatment at different isothermal holding temperatures of [533 K to 593 K (260 °C to 320 °C)]. This thermal treatment led to the formation of a multi-phase microstructure consisting of ferrite, tempered martensite, bainitic ferrite, fresh martensite, and retained austenite, offering a superior work-hardening behavior compared with the dual-phase microstructure (i.e., ferrite and martensite) formed after partial austenitization followed by water quenching. The carbon enrichment in retained austenite was related to not only the carbon partitioning during the isothermal holding process, but also the carbon enrichment during the partial austenitization and rapid cooling processes, which has broadened our knowledge of carbon partitioning mechanism in conventional Q&P process.

New stationary phase for hydrophilic interaction chromatography to separate chito-oligosaccharides with degree of polymerization 2-6.

PubMed

Zhai, Xingchen; Zhao, Haitian; Zhang, Min; Yang, Xin; Sun, Jingming; She, Yongxin; Dong, Aijun; Zhang, Hua; Yao, Lei; Wang, Jing

2018-04-01

A new 3‑aminophenylboronic acid-functionalized stationary phase based on silica for hydrophilic interaction liquid chromatography (HILIC) was developed and showed great HILIC characteristics on separation for chito‑oligosaccharides. The material was synthesized by grafting 3‑aminophenylboronic acid group to silica, and it was characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), elemental analysis and thermal gravimetric analysis (TGA). Nucleobases and nucleosides were used to evaluate the retention property and to investigate retention mechanism by the models designed for description of partitioning and surface adsorption through adjusting ratio of water in the mobile phase. Parameters affecting chromatography behavior such as ionic strength, buffer pH and column temperature were also investigated. Results have indicated that the retention mechanism was a combination of partitioning and surface adsorption, and the hydrogen bond seemed to be the main force for the retention behavior. Finally, the new 3‑aminophenylboronic acid-functionalized based on silica stationary phase was applied to separate chito-oligosaccharide samples with optimized mobile phase conditions and showed acceptable chromatograms. Copyright © 2018 Elsevier B.V. All rights reserved.

Phase transformation dependence on initial plastic deformation mode in Si via nanoindentation

DOE PAGES

Wong, Sherman; Haberl, Bianca; Williams, James S.; ...

2016-09-30

Silicon in its diamond-cubic phase is known to phase transform to a technologically interesting mixture of the body-centred cubic and rhombohedral phases under nanoindentation pressure. In this study, we demonstrate that during plastic deformation the sample can traverse two distinct pathways, one that initially nucleates a phase transformation while the other initially nucleates crystalline defects. These two pathways remain distinct even after sufficient pressure is applied such that both deformation mechanisms are present within the sample. Here, it is further shown that the indents that initially nucleate a phase transformation generate larger, more uniform volumes of the phase transformed materialmore » than indents that initially nucleate crystalline defects.« less

Role of microstructures on the M1-M2 phase transition in epitaxial VO2 thin films

PubMed Central

Ji, Yanda; Zhang, Yin; Gao, Min; Yuan, Zhen; Xia, Yudong; Jin, Changqing; Tao, Bowan; Chen, Chonglin; Jia, Quanxi; Lin, Yuan

2014-01-01

Vanadium dioxide (VO2) with its unique sharp resistivity change at the metal-insulator transition (MIT) has been extensively considered for the near-future terahertz/infrared devices and energy harvesting systems. Controlling the epitaxial quality and microstructures of vanadium dioxide thin films and understanding the metal-insulator transition behaviors are therefore critical to novel device development. The metal-insulator transition behaviors of the epitaxial vanadium dioxide thin films deposited on Al2O3 (0001) substrates were systematically studied by characterizing the temperature dependency of both Raman spectrum and Fourier transform infrared spectroscopy. Our findings on the correlation between the nucleation dynamics of intermediate monoclinic (M2) phase with microstructures will open a new avenue for the design and integration of advanced heterostructures with controllable multifunctionalities for sensing and imaging system applications. PMID:24798056

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.

Three-dimensional imaging of dislocation dynamics during the hydriding phase transformation

NASA Astrophysics Data System (ADS)

Ulvestad, A.; Welland, M. J.; Cha, W.; Liu, Y.; Kim, J. W.; Harder, R.; Maxey, E.; Clark, J. N.; Highland, M. J.; You, H.; Zapol, P.; Hruszkewycz, S. O.; Stephenson, G. B.

2017-05-01

Crystallographic imperfections significantly alter material properties and their response to external stimuli, including solute-induced phase transformations. Despite recent progress in imaging defects using electron and X-ray techniques, in situ three-dimensional imaging of defect dynamics remains challenging. Here, we use Bragg coherent diffractive imaging to image defects during the hydriding phase transformation of palladium nanocrystals. During constant-pressure experiments we observe that the phase transformation begins after dislocation nucleation close to the phase boundary in particles larger than 300 nm. The three-dimensional phase morphology suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than to the core-shell model commonly assumed. We substantiate this using three-dimensional phase field modelling, demonstrating how phase morphology affects the critical size for dislocation nucleation. Our results reveal how particle size and phase morphology affects transformations in the PdH system.

Evidence for a New Intermediate Phase in a Strongly Correlated 2D System near Wigner Crystallization

NASA Astrophysics Data System (ADS)

Gao, Xuan; Qiu, Richard; Goble, Nicholas; Serafin, Alex; Yin, Liang; Xia, Jian-Sheng; Sullivan, Neil; Pfeiffer, Loren; West, Ken

How the two dimensional (2D) quantum Wigner crystal (WC) transforms into the metallic liquid phase remains an outstanding problem in physics. In theories considering the 2D WC to liquid transition in the clean limit, it was suggested that a number of intermediate phases might exist. We have studied the transformation between the metallic fluid phase and the low magnetic field reentrant insulating phase (RIP) which was interpreted as due to the WC [Qiu et al., PRL 108, 106404 (2012)], in a strongly correlated 2D hole system in GaAs quantum well with large interaction parameter rs (~20-30) and high mobility. Instead of a sharp transition, we found that increasing density (or lowering rs) drives the RIP into a state where the incipient RIP coexists with Fermi liquid. This apparent mixture phase intermediate between Fermi liquid and WC also exhibits a non-trivial temperature dependent resistivity behavior which can be qualitatively understood by the reversed melting of WC in the mixture, in analogy to the Pomeranchuk effect in the solid-liquid mixture of Helium-3. X.G. thanks NSF (DMR-0906415) for supporting work at CWRU. Experiments at the NHMFL High B/T Facility were supported by NSF Grant 0654118 and the State of Florida. L.P. thanks the Gordon and Betty Moore Foundation and NSF MRSEC (DMR-0819860) for support.

An in situ neutron diffraction study of plastic deformation in a Cu 46.5Zr 46.5Al 7 bulk metallic glass composite

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

Wang, D. M.; Chen, Yan; Mu, Juan

Micro-mechanical behaviors of a Cu 46.5Zr 46.5Al 7 bulk metallic glass composite in the plastic regime were investigated by continuous in situ neutron diffraction during compression. Three stages of the plastic deformation were observed according to the work-hardening rate. Here, the underlying natures of the work hardening, correlating with the lattice/microscopic strain evolution, are revealed for the three stages: (1) the initiation of shear bands, (2) the phase load transferring from the amorphous phase to the B2 phase and (3) the accelerated martensitic transformation and the work hardening of the polycrystalline phases promoted by the rapid propagation of the shearmore » bands.« less

An in situ neutron diffraction study of plastic deformation in a Cu 46.5Zr 46.5Al 7 bulk metallic glass composite

DOE PAGES

Wang, D. M.; Chen, Yan; Mu, Juan; ...

2018-05-21

Micro-mechanical behaviors of a Cu 46.5Zr 46.5Al 7 bulk metallic glass composite in the plastic regime were investigated by continuous in situ neutron diffraction during compression. Three stages of the plastic deformation were observed according to the work-hardening rate. Here, the underlying natures of the work hardening, correlating with the lattice/microscopic strain evolution, are revealed for the three stages: (1) the initiation of shear bands, (2) the phase load transferring from the amorphous phase to the B2 phase and (3) the accelerated martensitic transformation and the work hardening of the polycrystalline phases promoted by the rapid propagation of the shearmore » bands.« less

Fresnel diffractograms from pure-phase wave fields under perfect spatio-temporal coherence: Non-linear/non-local aspects and far-field behavior.

PubMed

Trost, F; Hahn, S; Müller, Y; Gasilov, S; Hofmann, R; Baumbach, T

2017-12-18

Recently, the diffractogram, that is, the Fourier transform of the intensity contrast induced by Fresnel free-space propagation of a given (exit) wave field, was investigated non-perturbatively in the phase-scaling factor S (controlling the strength of phase variation) for the special case of a Gaussian phase of width [Formula: see text]. Surprisingly, an additional low-frequency zero σ *  = σ * (S, F) >0 emerges critically at small Fresnel number F (σ proportional to square of 2D spatial frequency). Here, we study the S-scaling behavior of the entire diffractogram. We identify a valley of maximum S-scaling linearity in the F - σ plane corresponding to a nearly universal physical frequency ξml = (0:143 ± 0.001)w -1/2 . Large values of F (near field) are shown to imply S-scaling linearity for low σ but nowhere else (overdamped non-oscillatory). In contrast, small F values (far field) entail distinct, sizable s-bands of good S-scaling linearity (damped oscillatory). These bands also occur in simulated diffractograms induced by a complex phase map (Lena). The transition from damped oscillatory to overdamped non-oscillatory diffractograms is shown to be a critical phenomenon for the Gaussian case. We also give evidence for the occurrence of this transition in an X-ray imaging experiment. Finally, we show that the extreme far-field limit generates a σ-universal diffractogram under certain requirements on the phase map: information on phase shape then is solely encoded in S-scaling behavior.

First principles investigation of high pressure behavior of FeOOH-AlOOH-phase H (MgSiO4H2) system.

NASA Astrophysics Data System (ADS)

Tsuchiya, J.; Thompson, E. C.; Tsuchiya, T.; Nishi, M.; Kuwayama, Y.

2017-12-01

It has been believed that water is carried into the deep Earth's interior by hydrous minerals such as the dense hydrous magnesium silicates (DHMSs) in the descending cold plate. A numbers of researches have been conducted so far about the high pressure behaviors of DHMSs. In recent years, we found new DHMS, phase H, at lower mantle pressure condition and the solid solution between phase H and d-AlOOH has been proposed as the most important carrier of water in the deepest part of Earth's mantle (Tsuchiya 2013 GRL, Nishi et al. 2014 Nature Geo., Ohira et al. 2014 EPSL). However, those hydrous minerals are actually not denser than surrounding (dry) mantle minerals (Tsuchiya and Mookherjee 2015 Scientific Reports) and the gravitational stability in deeper part of the Earth is questionable. Therefore, the effects of denser element such as Fe on the stability of DHMS are intimately connected to the ability of transportation of water into Earth's deep interiors. In order to assess the effect of Fe on the phase relation of phase H and d-AlOOH, we first investigated the high pressure behavior of the end-member composition of this system, the e-FeOOH. We have found the new high pressure transformation of FeOOH in the lower mantle conditions both theoretically and experimentally(Nishi et al. 2017 Nature). Here we show high pressure structures and the physical properties of FeOOH-AlOOH-phase H system using first principles calculation and discuss the possible geophysical implications of these phases.

Kinetics and Mechanism of Calcium Hydroxide Conversion into Calcium Alkoxides: Implications in Heritage Conservation Using Nanolimes.

PubMed

Rodriguez-Navarro, Carlos; Vettori, Irene; Ruiz-Agudo, Encarnacion

2016-05-24

Nanolimes are alcohol dispersions of Ca(OH)2 nanoparticles used in the conservation of cultural heritage. Although it was believed that Ca(OH)2 particles were inert when dispersed in short-chain alcohols, it has been recently shown that they can undergo transformation into calcium alkoxides. Little is known, however, about the mechanism and kinetics of such a phase transformation as well as its effect on the performance of nanolimes. Here we show that Ca(OH)2 particles formed after lime slaking react with ethanol and isopropanol and partially transform (fractional conversion, α up to 0.08) into calcium ethoxide and isopropoxide, respectively. The transformation shows Arrhenius behavior, with apparent activation energy Ea of 29 ± 4 and 37 ± 6 kJ mol(-1) for Ca-ethoxide and Ca-isopropoxide conversion, respectively. High resolution transmission electron microscopy analyses of reactant and product phases show that the alkoxides replace the crystalline structure of Ca(OH)2 along specific [hkl] directions, preserving the external hexagonal (platelike) morphology of the parent phase. Textural and kinetic results reveal that this pseudomorphic replacement involves a 3D diffusion-controlled deceleratory advancement of the reaction front. The results are consistent with an interface-coupled dissolution-precipitation replacement mechanism. Analysis of the carbonation of Ca(OH)2 particles with different degree of conversion into Ca-ethoxide (α up to 0.08) and Ca-isopropoxide (α up to 0.04) exposed to air (20 °C, 80% relative humidity) reveals that Ca-alkoxides significantly reduce the rate of transformation into cementing CaCO3 and induce the formation of metastable vaterite, as opposed to stable calcite which forms in untransformed Ca(OH)2 samples. Similar effects are obtained when a commercial nanolime partially transformed into Ca-ethoxide is subjected to carbonation. Such effects may hamper/delay the strengthening or consolidation effects of nanolimes, thus having important implications in the conservation of cultural heritage.

Effect of Pre-strain and High Stresses on the Bainitic Transformation of Manganese-boron Steel 22MnB5

NASA Astrophysics Data System (ADS)

Said Schicchi, Diego; Hunkel, Martin

2018-03-01

During the last decade, the use of press-hardened components in the automotive industry has grown considerably. The so-called tailored tempering, also known as partial press hardening, employs locally heated tools seeking to obtain bainitic transformations. This leads to (seamless) zones within the formed parts with higher ductility. Due to the intrinsic nature of this process, phase transformations happen under the influence of high loads and in pre-deformed austenite. The austenite pre-strain state and applied stresses affect the kinetics of the bainitic transformation. Moreover, stresses have an additional relevant effect in this process, the so-called transformation plasticity. Linear transformation plasticity models have been successfully used to predict the behavior in the presence of low stresses. Nonetheless, because of the process's severe conditions, these tend to fail. A strong nonlinearity of the transformation plasticity strain is observed for applied stresses above the austenite yield strength. Using thermomechanical tests on sheet specimens of a manganese-boron steel (22MnB5), widely utilized in the industry, the effect on the bainitic transformation of various degrees of deformation in the range of 0 to 18 pct, applied stresses in the range of 0 to 250 MPa and the transformation plasticity effect are investigated in this work.

Effect of Pre-strain and High Stresses on the Bainitic Transformation of Manganese-boron Steel 22MnB5

NASA Astrophysics Data System (ADS)

Said Schicchi, Diego; Hunkel, Martin

2018-06-01

During the last decade, the use of press-hardened components in the automotive industry has grown considerably. The so-called tailored tempering, also known as partial press hardening, employs locally heated tools seeking to obtain bainitic transformations. This leads to (seamless) zones within the formed parts with higher ductility. Due to the intrinsic nature of this process, phase transformations happen under the influence of high loads and in pre-deformed austenite. The austenite pre-strain state and applied stresses affect the kinetics of the bainitic transformation. Moreover, stresses have an additional relevant effect in this process, the so-called transformation plasticity. Linear transformation plasticity models have been successfully used to predict the behavior in the presence of low stresses. Nonetheless, because of the process's severe conditions, these tend to fail. A strong nonlinearity of the transformation plasticity strain is observed for applied stresses above the austenite yield strength. Using thermomechanical tests on sheet specimens of a manganese-boron steel (22MnB5), widely utilized in the industry, the effect on the bainitic transformation of various degrees of deformation in the range of 0 to 18 pct, applied stresses in the range of 0 to 250 MPa and the transformation plasticity effect are investigated in this work.

A Lagging Model for Describing Drawdown Induced by a Constant-Rate Pumping in a Leaky Confined Aquifer

NASA Astrophysics Data System (ADS)

Lin, Ye-Chen; Yeh, Hund-Der

2017-10-01

This study proposes a generalized Darcy's law with considering phase lags in both the water flux and drawdown gradient to develop a lagging flow model for describing drawdown induced by constant-rate pumping (CRP) in a leaky confined aquifer. The present model has a mathematical formulation similar to the dual-porosity model. The Laplace-domain solution of the model with the effect of wellbore storage is derived by the Laplace transform method. The time-domain solution for the case of neglecting the wellbore storage and well radius is developed by the use of Laplace transform and Weber transform. The results of sensitivity analysis based on the solution indicate that the drawdown is very sensitive to the change in each of the transmissivity and storativity. Also, a study for the lagging effect on the drawdown indicates that its influence is significant associated with the lag times. The present solution is also employed to analyze a data set taken from a CRP test conducted in a fractured aquifer in South Dakota, USA. The results show the prediction of this new solution with considering the phase lags has very good fit to the field data, especially at early pumping time. In addition, the phase lags seem to have a scale effect as indicated in the results. In other words, the lagging behavior is positively correlated with the observed distance in the Madison aquifer.

Dynamic Fracture in Brittle Materials

DTIC Science & Technology

2006-02-01

Stress analysis in oxidation problems usually follows the approach of introducing a known eigenstrain in the constitutive equation for elastic stress...deformation behavior in the oxide. The eigenstrain is assumed to be independent of time and position; it is the strain that would be observed in an...imaginary stress-free phase transformation. The total strain of the oxide is the sum of elastic strain and this eigenstrain . As shown in [13], the principal

Family leadership styles and adolescent dietary and physical activity behaviors: a cross-sectional study

PubMed Central

2012-01-01

Background Transformational leadership is conceptualized as a set of behaviors designed to inspire, energize and motivate others to achieve higher levels of functioning, and is associated with salient health-related outcomes in organizational settings. Given (a) the similarities that exist between leadership within organizational settings and parenting within families, and (b) the importance of the family environment in the promotion of adolescent health-enhancing behaviors, the purpose of this exploratory study was to examine the cross-sectional relationships between parents’ transformational leadership behaviors and adolescent dietary and physical activity behaviors. Methods 857 adolescents (aged 13–15, mean age = 14.70 yrs) completed measures of transformational parenting behaviors, healthful dietary intake and leisure-time physical activity. Regression analyses were conducted to examine relationships between family transformational leadership and adolescent health outcomes. A further ‘extreme group analysis’ was conducted by clustering families based on quartile splits. A MANCOVA (controlling for child gender) was conducted to examine differences between families displaying (a) HIGH levels of transformational parenting (consistent HIGH TP), (b) LOW levels of transformational parenting (consistent LOW TP), and (c) inconsistent levels of transformational parenting (inconsistent HIGH-LOW TP). Results Results revealed that adolescents’ perceptions of family transformational parenting were associated with both healthy dietary intake and physical activity. Adolescents who perceived their families to display the highest levels of transformational parenting (HIGH TP group) displayed greater healthy eating and physical activity behaviors than adolescents who perceived their families to display the lowest levels of transformational parenting behaviors (LOW TP group). Adolescents who perceived their families to display inconsistent levels of transformational parenting behaviors (HIGH-LOW TP group) displayed the same levels of healthy eating behaviors as those adolescents from the LOW TP group. For physical activity behaviors, adolescents who perceived their families to display inconsistent levels of transformational parenting behaviors (HIGH-LOW TP group) did not differ in terms of physical activity than those in either the HIGH TP or LOW TP group. Conclusions Family transformational parenting behaviors were positively associated with both healthful dietary intake and leisure-time physical activity levels amongst adolescents. The findings suggest that transformational leadership theory is a useful framework for understanding the relationship between family leadership behaviors and adolescent health outcomes. PMID:22546151

Family leadership styles and adolescent dietary and physical activity behaviors: a cross-sectional study.

PubMed

Morton, Katie L; Wilson, Alexandra H; Perlmutter, Lisa S; Beauchamp, Mark R

2012-04-30

Transformational leadership is conceptualized as a set of behaviors designed to inspire, energize and motivate others to achieve higher levels of functioning, and is associated with salient health-related outcomes in organizational settings. Given (a) the similarities that exist between leadership within organizational settings and parenting within families, and (b) the importance of the family environment in the promotion of adolescent health-enhancing behaviors, the purpose of this exploratory study was to examine the cross-sectional relationships between parents' transformational leadership behaviors and adolescent dietary and physical activity behaviors. 857 adolescents (aged 13-15, mean age = 14.70 yrs) completed measures of transformational parenting behaviors, healthful dietary intake and leisure-time physical activity. Regression analyses were conducted to examine relationships between family transformational leadership and adolescent health outcomes. A further 'extreme group analysis' was conducted by clustering families based on quartile splits. A MANCOVA (controlling for child gender) was conducted to examine differences between families displaying (a) HIGH levels of transformational parenting (consistent HIGH TP), (b) LOW levels of transformational parenting (consistent LOW TP), and (c) inconsistent levels of transformational parenting (inconsistent HIGH-LOW TP). Results revealed that adolescents' perceptions of family transformational parenting were associated with both healthy dietary intake and physical activity. Adolescents who perceived their families to display the highest levels of transformational parenting (HIGH TP group) displayed greater healthy eating and physical activity behaviors than adolescents who perceived their families to display the lowest levels of transformational parenting behaviors (LOW TP group). Adolescents who perceived their families to display inconsistent levels of transformational parenting behaviors (HIGH-LOW TP group) displayed the same levels of healthy eating behaviors as those adolescents from the LOW TP group. For physical activity behaviors, adolescents who perceived their families to display inconsistent levels of transformational parenting behaviors (HIGH-LOW TP group) did not differ in terms of physical activity than those in either the HIGH TP or LOW TP group. Family transformational parenting behaviors were positively associated with both healthful dietary intake and leisure-time physical activity levels amongst adolescents. The findings suggest that transformational leadership theory is a useful framework for understanding the relationship between family leadership behaviors and adolescent health outcomes.

Comparison of the quench and fault current limiting characteristics of the flux-coupling type SFCL with single and three-phase transformer

NASA Astrophysics Data System (ADS)

Jung, Byung Ik; Cho, Yong Sun; Park, Hyoung Min; Chung, Dong Chul; Choi, Hyo Sang

2013-01-01

The South Korean power grid has a network structure for the flexible operation of the system. The continuously increasing power demand necessitated the increase of power facilities, which decreased the impedance in the power system. As a result, the size of the fault current in the event of a system fault increased. As this increased fault current size is threatening the breaking capacity of the circuit breaker, the main protective device, a solution to this problem is needed. The superconducting fault current limiter (SFCL) has been designed to address this problem. SFCL supports the stable operation of the circuit breaker through its excellent fault-current-limiting operation [1-5]. In this paper, the quench and fault current limiting characteristics of the flux-coupling-type SFCL with one three-phase transformer were compared with those of the same SFCL type but with three single-phase transformers. In the case of the three-phase transformers, both the superconducting elements of the fault and sound phases were quenched, whereas in the case of the single-phase transformer, only that of the fault phase was quenched. For the fault current limiting rate, both cases showed similar rates for the single line-to-ground fault, but for the three-wire earth fault, the fault current limiting rate of the single-phase transformer was over 90% whereas that of the three-phase transformer was about 60%. It appears that when the three-phase transformer was used, the limiting rate decreased because the fluxes by the fault current of each phase were linked in one core. When the power loads of the superconducting elements were compared by fault type, the initial (half-cycle) load was great when the single-phase transformer was applied, whereas for the three-phase transformer, its power load was slightly lower at the initial stage but became greater after the half fault cycle.

Galvanizing and Galvannealing Behavior of CMnSiCr Dual-Phase Steels

NASA Astrophysics Data System (ADS)

Lin, Ko-Chun; Chu, Peng-Wei; Lin, Chao-Sung; Chen, Hon-Bor

2013-06-01

Alloying elements, such as Mn, Mo, Si, and Cr, are commonly used to enhance the strength of advanced high-strength steels. Those elements also play an important role in the hot-dip galvanizing (GI) and galvannealing (GA) process. In this study, two kinds of CMnSiCr dual-phase steels were galvanized and galvannealed using a hot-dip simulator to investigate the effect of the alloying elements on the microstructure of the GI and GA coatings. The results showed that the dual-phase steels had good galvanizability because no bare spots were observed and the Fe-Zn phases were readily formed at the interface. However, the alloying reaction during the GA process was significantly hindered. XPS analysis showed that external oxidation occurred under an extremely low dew point [213 K to 203 K (-60 °C to -70 °C)] atmosphere during the annealing prior to hot dipping. However, most of the oxides were reduced during the GI process. After the GI process, the Al was present as solid solutes in the Fe-Zn phase, suggesting that the Fe-Zn phase was formed from the transformation of the Fe-Al inhibition alloy. Meanwhile, the solubility of Si in the ζ phase was extremely low. With continued GA reaction, the ζ phase transformed into the δ phase, which contained approximately 1.0 at.pct Si. The Si also diffused into the Zn layer during the GA reaction. Hence, the ζ phase did not homogeneously nucleate at the steel substrate/Zn coating interface, but was found at the area away from the interface. Therefore, the Fe-Zn phases on the CMnSiCr dual-phase steels were relatively non-uniform compared to those on interstitial-free steel.

Transformation of the θ-phase in Mg-Li-Al alloys: a density functional theory study.

PubMed

Zhang, Caili; Han, Peide; Zhang, Zhuxia; Dong, Minghui; Zhang, Lili; Gu, Xiangyang; Yang, Yanqing; Xu, Bingshe

2012-03-01

In Mg-Li-Al alloys, θ-phase MgAlLi(2) is a strengthening and metastable phase which is liable to be transformed to the equilibrium phase AlLi on overaging. While the structural details of the θ-phase MgAlLi(2) and the microscopic transformation are still unknown. In this paper, the structure of MgAlLi(2) unit cell was determined through X-ray powder diffraction simulation. Microscopic transformation process of θ-phase MgAlLi(2) was discussed in detail using first principles method.

High-pressure phase relations in the composition of albite NaAlSi3O8 constrained by an ab initio and quasi-harmonic Debye model, and their implications

NASA Astrophysics Data System (ADS)

Deng, L.; Liu, X.; Liu, H.; Dong, J.

2010-12-01

The high pressure physical-chemical behaviors of feldspar in subducted slab are very important to the geodynamic process in the deep interior of the Earth. Albite (NaAlSi3O8;Ab) is one of the few end members in the feldspar family, and its high-P behavior is obviously a prerequisite to the full understanding of the physical-chemical properties of feldspar at high pressures. So far it has been well accepted that Ab breaks down to the phase assemblage of Jadeite+Stishovite(NaAlSi2O6; Jd, SiO2; St,JS hereafter) at ~9-10 GPa. The JS phase assemblage might be stable up to ~23 GPa, and eventually directly change into the phase assemblage of calcium-ferrite type NaAlSiO4 (Cf) +2St (CS hereafter). However, some independent researches suggest there is an intermediate phase Na-hollandite (Na-Hall; a phase with the composition of NaAlSi3O8 and the structure of hollandite) between JS phase assemblage transition into CS phase assemblage (Liu 1978; Tutti 2007; Sekine and Ahrens, 1992; Beck et al., 2004). Whether Na-Hall is a thermodynamic stable phase under high P-T conditions remains unknown. In this work, phase relations in the composition of albite NaAlSi3O8 at pressures up to 40 GPa were constrained by a theoretical method that combines the ab initio calculation and quasi-harmonic Debyemodel. First, the P-T dependence of the thermodynamic potentials of the individual phase, St, Cf, Jd and the hypothetical Na-Holl were derived. Our results are generally in consistent agreement with available experimental data and previous theoretical predictions. Second, the Gibbs free energy of the hypothetical Na-Holl phase was compared with that of the phase assemblages JS and CS. Our results show that the Na-Holl phase is not a thermodynamically stable phase over the studied P-T conditions of 0-40 GPa and 100-600 K, which rules it out as a possible intermediate phase along the transition path from the JS phase assemblage to CS phase assemblage. Our calculations have predicted that the JS phase assemblage transforms into the CS phase assemblage at about 33.6 GPa at 0 K, and the Clayperon slope of this phase transition is about 0.014 GPa/K. This study implies that lingunite (Na-Holl), found in somemeteorites, is not possibly a thermodynamically stable high-P phase, and the Cf phase probably plays an important role in maintaining the sodium budget and hosting the large-ion lithophile elements in the deep interior of the Earth. References: Beck, P., Gillet, P., Gautron, L., Daniel, I., El Goresy, A., 2004. A new natural high-pressure (Na, Ca)-hexaluminosilicate [(CaxNa1-x)Al3+xSi3-xO11] in shocked Martian meteorites. Earth Planet. Sci. Lett. 219, 1-12. Liu, L., 1978. High-pressure phase transformations of albite, jadeite and nepheline. Earth Planet. Sci. Lett. 37, 438-444. Sekine, T., Ahrens, T.J., 1992. Shock-induced transformations in the system NaAlSi3O8-SiO2: a new interpretation. Phys. Chem. Mineral. 18, 359-364. Tutti, F., 2007. Formation of end-member NaAlSi3O8 hollandite-type structure (lingunite) in diamond anvil cell. Phys. Earth Planet. Inter. 161, 143-149.

Spin-Driven Emergent Antiferromagnetism and Metal-Insulator Transition in Nanoscale p-Si

NASA Astrophysics Data System (ADS)

Lou, Paul C.; Kumar, Sandeep

2018-04-01

The entanglement of the charge, spin and orbital degrees of freedom can give rise to emergent behavior especially in thin films, surfaces and interfaces. Often, materials that exhibit those properties require large spin orbit coupling. We hypothesize that the emergent behavior can also occur due to spin, electron and phonon interactions in widely studied simple materials such as Si. That is, large intrinsic spin-orbit coupling is not an essential requirement for emergent behavior. The central hypothesis is that when one of the specimen dimensions is of the same order (or smaller) as the spin diffusion length, then non-equilibrium spin accumulation due to spin injection or spin-Hall effect (SHE) will lead to emergent phase transformations in the non-ferromagnetic semiconductors. In this experimental work, we report spin mediated emergent antiferromagnetism and metal insulator transition in a Pd (1 nm)/Ni81Fe19 (25 nm)/MgO (1 nm)/p-Si (~400 nm) thin film specimen. The spin-Hall effect in p-Si, observed through Rashba spin-orbit coupling mediated spin-Hall magnetoresistance behavior, is proposed to cause the spin accumulation and resulting emergent behavior. The phase transition is discovered from the diverging behavior in longitudinal third harmonic voltage, which is related to the thermal conductivity and heat capacity.

Three-dimensional imaging of dislocation dynamics during the hydriding phase transformation

DOE PAGES

Ulvestad, A.; Welland, M. J.; Cha, W.; ...

2017-01-16

Crystallographic imperfections can significantly alter material properties and responses to external stimuli, including solute induced phase transformations and crystal growth and dissolution . Despite recent progress in imaging defects using both electron and x-ray techniques, in situ three-dimensional imaging studies of defect dynamics, necessary to understand and engineer nanoscale processes, remains challenging. Here, we report in situ three-dimensional imaging of defect dynamics during the hydriding phase transformation of individual palladium nanocrystals by Bragg Coherent Diffractive Imaging (BCDI) . During constant pressure experiments, we observed that the phase transformation begins after the nucleation of dislocations in large (300 nm) particles. Themore » 3D dislocation network shows that dislocations are close to the phase boundary. The 3D phase morphology resolved by BCDI suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than the core-shell model commonly assumed. We substantiate this conclusion using 3D phase field modeling and demonstrate how phase morphology affects the critical size for dislocation nucleation. We determine the size dependence of the transformation pressure for large (150-300 nm) palladium nanocrystals using variable pressure experiments. Our results reveal a pathway for solute induced structural phase transformations in nanocrystals and demonstrate BCDI as a novel method for understanding dislocation dynamics in phase transforming systems at the nanoscale.« less

Liquid-liquid phase separation in dilute solutions of poly(styrene sulfonate) with multivalent cations: Phase diagrams, chain morphology, and impact of temperature

NASA Astrophysics Data System (ADS)

Hansch, Markus; Hämisch, Benjamin; Schweins, Ralf; Prévost, Sylvain; Huber, Klaus

2018-01-01

The dilute solution behavior of sodium poly(styrene sulfonate) is studied in the presence of trivalent Al3+ and bivalent Ba2+ cations at various levels of excess NaCl. The study evaluates the phase behavior and the morphology of the polyelectrolyte chains with increasing extent of decoration with the Al3+ and Ba2+ cations and analyses the effect of temperature on these decorated chains. The phase behavior is presented in the form of the cation concentration versus the respective poly(styrene sulfonate) concentration, recorded at the onset of precipitation. Whereas poly(styrene sulfonate) with Al3+ exhibits a linear phase boundary, denoted as the "threshold line," which increases with increasing poly(styrene sulfonate) concentration, Ba2+ cations show a threshold line which is independent of the poly(styrene sulfonate) concentration. An additional re-entrant phase, at considerably higher cation content than those of the threshold lines, is observed with Al3+ cations but not with Ba2+ cations. The threshold line and the re-entrant phase boundary form parts of the liquid-liquid phase boundary observed at the limit of low polymer concentration. The dimensions of the polyelectrolyte chains shrink considerably while approaching the respective threshold lines on increase of the Al3+ and Ba2+ cation content. However, subtle differences occur between the morphological transformation induced by Al3+ and Ba2+. Most strikingly, coils decorated with Al3+ respond very differently to temperature variations than coils decorated with Ba2+ do. As the temperature increases, the poly(styrene sulfonate) chains decrease their size in the presence of Al3+ cations but increase in size in the presence of Ba2+ cations.

Role of length polydispersity in the phase behavior of freely rotating hard-rectangle fluids

NASA Astrophysics Data System (ADS)

Díaz-De Armas, Ariel; Martínez-Ratón, Yuri

2017-05-01

We use the density-functional formalism, in particular the scaled-particle theory, applied to a length-polydisperse hard-rectangle fluid to study its phase behavior as a function of the mean particle aspect ratio κ0 and polydispersity Δ0. The numerical solutions of the coexistence equations are calculated by transforming the original problem with infinite degrees of freedoms to a finite set of equations for the amplitudes of the Fourier expansion of the moments of the density profiles. We divide the study into two parts. The first one is devoted to the calculation of the phase diagrams in the packing fraction η0-κ0 plane for a fixed Δ0 and selecting parent distribution functions with exponential (the Schulz distribution) or Gaussian decays. In the second part we study the phase behavior in the η0-Δ0 plane for fixed κ0 while Δ0 is changed. We characterize in detail the orientational ordering of particles and the fractionation of different species between the coexisting phases. Also we study the character (second vs first order) of the isotropic-nematic phase transition as a function of polydispersity. We particularly focus on the stability of the tetratic phase as a function of κ0 and Δ0. The isotropic-nematic transition becomes strongly of first order when polydispersity is increased: The coexistence gap widens and the location of the tricritical point moves to higher values of κ0 while the tetratic phase is slightly destabilized with respect to the nematic one. The results obtained here can be tested in experiments on shaken monolayers of granular rods.

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.

Phase transformation in the alumina-titania system during flash sintering experiments

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

Jha, S. K.; Lebrun, J. M.; Raj, R.

2016-02-01

We show that phase transformation in the alumina–titania system, which produces aluminum-titanate, follows an unusual trajectory during flash sintering. The experiments begin with mixed powders of alumina–titania and end in dense microstructures that are transformed into aluminum-titanate. The sintering and the phase transformation are separated in time, with the sintering occurs during Stage II, and phase transformation during Stage III of the flash sintering experiment. Stage III is the steady-state condition of flash activated state that is established under current control, while Stage II is the period of transition from voltage to current control. The extent of phase transformation increasesmore » with the current density and the hold time in Stage III.« less

Ab Initio Simulations of Temperature Dependent Phase Stability and Martensitic Transitions in NiTi

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Thompson, Alexander E.; Lawson, John W.

2016-01-01

For NiTi based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. In particular, we show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing these phase transformations is discussed.

The Relevant Role of Dislocations in the Martensitic Transformations in Cu-Al-Ni Single Crystals

NASA Astrophysics Data System (ADS)

Gastien, R.; Sade, M.; Lovey, F. C.

2018-03-01

The interaction between dislocations and martensitic transformations in Cu-Al-Ni alloys is shortly reviewed. Results from many researchers are critically analyzed towards a clear interpretation of the relevant role played by dislocations on the properties of shape memory alloys in Cu-based alloys. Both thermally and stress-induced transformations are considered and focus is paid on two types of transitions, the β→β' and the formation of a mixture of martensites: β→β' + γ'. After cycling in the range where both martensites are formed, the twinned γ' phase is inhibited and cycling evolves into the formation of only β'. A model which considers the difference in energy of each γ' twin variant due to the introduced dislocations quantitatively explains the inhibition of γ' in both thermally and stress-induced cycling. The type of dislocations which are mainly introduced, mixed with Burgers vector belonging to the basal plane of the β' martensite, enables also to explain the unmodified mechanical behavior during β→β' cycling. The reported behavior shows interesting advantages of Cu-Al-Ni single crystals if mechanical properties are comparatively considered with those in other Cu-based alloys.

Color image encryption based on gyrator transform and Arnold transform

NASA Astrophysics Data System (ADS)

Sui, Liansheng; Gao, Bo

2013-06-01

A color image encryption scheme using gyrator transform and Arnold transform is proposed, which has two security levels. In the first level, the color image is separated into three components: red, green and blue, which are normalized and scrambled using the Arnold transform. The green component is combined with the first random phase mask and transformed to an interim using the gyrator transform. The first random phase mask is generated with the sum of the blue component and a logistic map. Similarly, the red component is combined with the second random phase mask and transformed to three-channel-related data. The second random phase mask is generated with the sum of the phase of the interim and an asymmetrical tent map. In the second level, the three-channel-related data are scrambled again and combined with the third random phase mask generated with the sum of the previous chaotic maps, and then encrypted into a gray scale ciphertext. The encryption result has stationary white noise distribution and camouflage property to some extent. In the process of encryption and decryption, the rotation angle of gyrator transform, the iterative numbers of Arnold transform, the parameters of the chaotic map and generated accompanied phase function serve as encryption keys, and hence enhance the security of the system. Simulation results and security analysis are presented to confirm the security, validity and feasibility of the proposed scheme.

Raman and infrared spectroscopic investigations of a ferroelastic phase transition in B a2ZnTe O6 double perovskite

NASA Astrophysics Data System (ADS)

Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Ramos, Sérgio L. L. M.; Sebastian, Mailadil T.; Matinaga, Franklin M.; Righi, Ariete; Dias, Anderson

2018-05-01

The low-temperature vibrational properties of B a2ZnTe O6 double-perovskite ceramics obtained by the solid-state route were investigated by Raman scattering and Fourier-transform infrared reflectivity. We found that this material undergoes a reversible ferroelastic phase transition at around 140 K, well compatible with a recently proposed rhombohedral-to-monoclinic structural change that would occur below 165 K. Complementary calorimetric measurements showed that the phase transition has a first-order character, with an entropy jump compatible with a displacive mechanism. The vibrational spectra show clearly the splitting of the doubly degenerate E modes into nondegenerate representations of the low-symmetry phase. In particular, the lowest-frequency Raman mode presents soft-mode behavior and splits below the critical temperature, confirming the in-plane ferroelastic deformation in the low-temperature phase.

CFD Simulation of flow pattern in a bubble column reactor for forming aerobic granules and its development.

PubMed

Fan, Wenwen; Yuan, LinJiang; Li, Yonglin

2018-06-22

The flow pattern is considered to play an important role in the formation of aerobic granular sludge in a bubble column reactor; therefore, it is necessary to understand the behavior of the flow in the reactor. A three-dimensional computational fluid dynamics (CFD) simulation for bubble column reactor was established to visualize the flow patterns of two-phase air-liquid flow and three-phase air-liquid-sludge flow under different ratios of height to diameter (H/D ratio) and superficial gas upflow velocities (SGVs). Moreover, a simulation of the three-phase flow pattern at the same SGV and different characteristics of the sludge was performed in this study. The results show that not only SGV but also properties of sludge involve the transformation of flow behaviors and relative velocity between liquid and sludge. For the original activated sludge floc to cultivate aerobic granules, the flow pattern has nothing to do with sludge, but is influenced by SGV, and the vortices is occurred and the relative velocity is increased with an increase in SGV; the two-phase flow can simplify the three-phase flow that predicts the flow pattern development in bubble column reactor (BCR) for aerobic granulation. For the aerobic granules, the liquid flow behavior developed from the symmetrical circular flow to numbers and small-size vortices with an increase in the sludge diameter, the relative velocity is amount up to u r  = 5.0, it is 29.4 times of original floc sludge.

Use of glancing angle X-ray powder diffractometry to depth-profile phase transformations during dissolution of indomethacin and theophylline tablets.

PubMed

Debnath, Smita; Predecki, Paul; Suryanarayanan, Raj

2004-01-01

The purpose of this study was (i) to develop glancing angle x-ray powder diffractometry (XRD) as a method for profiling phase transformations as a function of tablet depth; and (ii) to apply this technique to (a) study indomethacin crystallization during dissolution of partially amorphous indomethacin tablets and to (b) profile anhydrate --> hydrate transformations during dissolution of theophylline tablets. The intrinsic dissolution rates of indomethacin and theophylline were determined after different pharmaceutical processing steps. Phase transformations during dissolution were evaluated by various techniques. Transformation in the bulk and on the tablet surface was characterized by conventional XRD and scanning electron microscopy, respectively. Glancing angle XRD enabled us to profile these transformations as a function of depth from the tablet surface. Pharmaceutical processing resulted in a decrease in crystallinity of both indomethacin and theophylline. When placed in contact with the dissolution medium, while indomethacin recrystallized, theophylline anhydrate rapidly converted to theophylline monohydrate. Due to intimate contact with the dissolution medium, drug transformation occurred to a greater extent at or near the tablet surface. Glancing angle XRD enabled us to depth profile the extent of phase transformations as a function of the distance from the tablet surface. The processed sample (both indomethacin and theophylline) transformed more rapidly than did the corresponding unprocessed drug. Several challenges associated with the glancing angle technique, that is, the effects of sorbed water, phase transformations during the experimental timescale, and the influence of phase transformation on penetration depth, were addressed. Increased solubility, and consequently dissolution rate, is one of the potential advantages of metastable phases. This advantage is negated if, during dissolution, the metastable to stable transformation rate > dissolution rate. Glancing angle XRD enabled us to quantify and thereby profile phase transformations as a function of compact depth. The technique has potential utility in monitoring surface reactions, both chemical decomposition and physical transformations, in pharmaceutical systems.

Length-Scale-Dependent Phase Transformation of LiFePO4 : An In situ and Operando Study Using Micro-Raman Spectroscopy and XRD.

PubMed

Siddique, N A; Salehi, Amir; Wei, Zi; Liu, Dong; Sajjad, Syed D; Liu, Fuqiang

2015-08-03

The charge and discharge of lithium ion batteries are often accompanied by electrochemically driven phase-transformation processes. In this work, two in situ and operando methods, that is, micro-Raman spectroscopy and X-ray diffraction (XRD), have been combined to study the phase-transformation process in LiFePO4 at two distinct length scales, namely, particle-level scale (∼1 μm) and macroscopic scale (∼several cm). In situ Raman studies revealed a discrete mode of phase transformation at the particle level. Besides, the preferred electrochemical transport network, particularly the carbon content, was found to govern the sequence of phase transformation among particles. In contrast, at the macroscopic level, studies conducted at four different discharge rates showed a continuous but delayed phase transformation. These findings uncovered the intricate phase transformation in LiFePO4 and potentially offer valuable insights into optimizing the length-scale-dependent properties of battery materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermomechanical behavior of shape memory elastomeric composites

NASA Astrophysics Data System (ADS)

Ge, Qi; Luo, Xiaofan; Rodriguez, Erika D.; Zhang, Xiao; Mather, Patrick T.; Dunn, Martin L.; Qi, H. Jerry

2012-01-01

Shape memory polymers (SMPs) can fix a temporary shape and recover their permanent shape in response to environmental stimuli such as heat, electricity, or irradiation. Most thermally activated SMPs use the macromolecular chain mobility change around the glass transition temperature ( Tg) to achieve the shape memory (SM) effects. During this process, the stiffness of the material typically changes by three orders of magnitude. Recently, a composite materials approach was developed to achieve thermally activated shape memory effect where the material exhibits elastomeric response in both the temporary and the recovered configurations. These shape memory elastomeric composites (SMECs) consist of an elastomeric matrix reinforced by a semicrystalline polymer fiber network. The matrix provides background rubber elasticity while the fiber network can transform between solid crystals and melt phases over the operative temperature range. As such it serves as a reversible "switching phase" that enables shape fixing and recovery. Shape memory elastomeric composites provide a new paradigm for the development of a wide array of active polymer composites that utilize the melt-crystal transition to achieve the shape memory effect. This potentially allows for material systems with much simpler chemistries than most shape memory polymers and thus can facilitate more rapid material development and insertion. It is therefore important to understand the thermomechanical behavior and to develop corresponding material models. In this paper, a 3D finite-deformation constitutive modeling framework was developed to describe the thermomechanical behavior of SMEC. The model is phenomenological, although inspired by micromechanical considerations of load transfer between the matrix and fiber phases of a composite system. It treats the matrix as an elastomer and the fibers as a complex solid that itself is an aggregate of melt and crystal phases that evolve from one to the other during a temperature change. As such, the composite consists of an elastomer reinforced by a soft liquid at high temperature and a stiff solid at low temperature. The model includes a kinetic description of the non-isothermal crystallization and melting of the fibers during a temperature change. As the fibers transform from melt to crystal during cooling it is assumed that new crystals are formed in an undeformed state, which requires careful tracking of the kinematics of the evolving phases which comes at a significant computational cost. In order to improve the computational efficiency, an effective phase model (EPM) is adopted to treat the evolving crystal phases as an effective medium. A suite of careful thermomechanical experiments with a SMEC was carried out to calibrate various model parameters, and then to demonstrate the ability of the model to accurately capture the shape memory behavior of the SMEC system during complex thermomechanical loading scenarios. The model also identifies the effects of microstructural design parameters such as the fiber volume fraction.

Phase transformations involving the [alpha][sub 2] and O phases in Ti-Al-Nb alloys. [Ti-28. 5Al-13Nb

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

Muraleedharan, K.; Banerjee, D.

1993-08-15

An orthorhombic (O) phase with Cmcm space group and Ti[sub 2]AlNb composition has ben established in the Ti-Al-Nb system. Efforts to develop alloys with this orthorhombic phase as a major phase, in place of the [alpha][sub 2] (Ti[sub 3]Al) phase, resulted in compositions with superior combinations of strength and toughness. The determination of phase diagrams for the Ti-Al-Nb system is a continuing effort. Bendersky et al. considered possible transformation paths and the hierarchy of structures in going from the [beta] phase to [alpha][sub 2] or O phases through displacive or replacive reactions. Microstructures predicted by these considerations have been documentedmore » in the particularly well investigated [beta]-->O transformation. Very little work has however been carried out on the [alpha][sub 2]-->O phase transformation. In this paper, the authors report preliminary results of isothermal aging study of this transformation.« less

Lubricating and waxy esters, I. Synthesis, crystallization, and melt behavior of linear monoesters.

PubMed

Bouzidi, Laziz; Li, Shaojun; Di Biase, Steve; Rizvi, Syed Q; Narine, Suresh S

2012-01-01

Four pure jojoba wax-like esters (JLEs), having carbon chain length of 36, 40 (two isomers) and 44, were prepared by Steglish esterification of fatty acids (or acid chlorides) with fatty alcohols at room temperature. Calorimetric and diffraction data was used to elucidate the phase behavior of the esters. The primary thermal parameters (crystallization and melting temperatures) obtained from the DSC of the symmetrical molecules correspond well with the carbon numbers of the JLEs. However, the data also suggests that carbon number is not the only factor since the symmetry of the molecule also plays a significant role in the phase behavior. Overall, the JLEs show very little polymorphic activity at the experimental conditions used, suggesting that they are likely to transform the same way during melting as well as crystallization, a characteristic which may be useful in designing new waxes and lubricants. The XRD data clearly show that the solid phase in all samples consists of a mixture of a β-phase and a β'-phase; fully distinguishable by their characteristic diffraction peaks. Subtle differences between the subcell patterns and phase development of the samples were observed. Different layering of the samples was also observed, understandably because of the chain length differences between the compounds. The long spacings were perfectly linearly proportional to the number of carbon atoms. The length of the ester layers with n carbon atoms can be calculated by a formula similar to that used for the layers in linear alkane molecules. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Function Transformation without Reinforcement

PubMed Central

Tonneau, François; Arreola, Fara; Martínez, Alma Gabriela

2006-01-01

In studies of function transformation, participants initially are taught to match stimuli in the presence of a contextual cue, X; the stimuli to be matched bear some formal relation to each other, for example, a relation of opposition or difference. In a second phase, the participants are taught to match arbitrary stimuli (say, A and B) in the presence of X. In a final test, A often displays behavioral functions that differ from those of B, and can be predicted from the nature of the relation associated with X in the initial training phase. Here we report function-transformation effects in the absence of selection responses and of their reinforcers. In three experiments with college students, exposure to relations of difference or identity modified the responses given to later stimuli. In Experiment 1, responses to a test stimulus A varied depending on preexposure to pairs of colors that were distinct from A but exemplified relations of difference or identity. In Experiment 2, a stimulus A acquired distinct functions, depending on its previous pairing with a contextual cue X that had itself been paired with identity or difference among colors. Experiment 3 confirmed the results of Experiment 2 with a modified design. Our data are consistent with the notion that relations of identity or difference can serve as stimuli for Pavlovian processes, and, in compound with other cues, produce apparent function-transformation effects. PMID:16776058

Function transformation without reinforcement.

PubMed

Tonneau, Franćois; Arreola, Fara; Martínez, Alma Gabriela

2006-05-01

In studies of function transformation, participants initially are taught to match stimuli in the presence of a contextual cue, X; the stimuli to be matched bear some formal relation to each other, for example, a relation of opposition or difference. In a second phase, the participants are taught to match arbitrary stimuli (say, A and B) in the presence of X. In a final test, A often displays behavioral functions that differ from those of B, and can be predicted from the nature of the relation associated with X in the initial training phase. Here we report function-transformation effects in the absence of selection responses and of their reinforcers. In three experiments with college students, exposure to relations of difference or identity modified the responses given to later stimuli. In Experiment 1, responses to a test stimulus A varied depending on preexposure to pairs of colors that were distinct from A but exemplified relations of difference or identity. In Experiment 2, a stimulus A acquired distinct functions, depending on its previous pairing with a contextual cue X that had itself been paired with identity or difference among colors. Experiment 3 confirmed the results of Experiment 2 with a modified design. Our data are consistent with the notion that relations of identity or difference can serve as stimuli for Pavlovian processes, and, in compound with other cues, produce apparent function-transformation effects.

Phase transformation and tribological properties of Ag-MoO3 contained NiCrAlY based composite coatings fabricated by laser cladding

NASA Astrophysics Data System (ADS)

Wang, Lingqian; Zhou, Jiansong; Xin, Benbin; Yu, Youjun; Ren, Shufang; Li, Zhen

2017-08-01

Ag-MoO3 contained NiCrAlY based composite coating was successfully prepared on GH4169 stainless steel substrate by high energy ball milling and laser cladding. The microstructure and phase transformation were investigated by scanning electron microscopy (SEM) equipped with energy dispersive spectroscopy (EDS) and X-ray diffraction spectrum (XRD). The tribological behavior and mechanism from room temperature to 800 °C were investigated. Results showed that MoO3 in the composite powders transformed to Mo2C reinforcement under the high energy density of laser, and a series of opposite transformation occurred during friction process. The coating showed the lowest friction coefficient and low wear rate at 600 °C and 800 °C due to the generation of Ag2MoO4 during tribo-chemical reactions and the formation of lubrication glaze on the worn surface. Ag made effective lubrication when the temperature rose up to 200 °C. The coating displayed a relatively high friction coefficient (about 0.51) at 400 °C, because though MoO3 (oxidation products of Mo2C) and Ag2MoO4 were detected on the worn surface, they could not realize effective lubrication at this temperature. Abrasive wear, adhesive wear and plastic deformation contributed to the increased friction and wear.

Tuning Phase Composition of Polymer Nanocomposites toward High Energy Density and High Discharge Efficiency by Nonequilibrium Processing.

PubMed

Jiang, Jianyong; Zhang, Xin; Dan, Zhenkang; Ma, Jing; Lin, Yuanhua; Li, Ming; Nan, Ce-Wen; Shen, Yang

2017-09-06

Polymer nanocomposite dielectrics with high energy density and low loss are major enablers for a number of applications in modern electronic and electrical industry. Conventional fabrication of nanocomposites by solution routes involves equilibrium process, which is slow and results in structural imperfections, hence high leakage current and compromised reliability of the nanocomposites. We propose and demonstrate that a nonequilibrium process, which synergistically integrates electrospinning, hot-pressing and thermal quenching, is capable of yielding nanocomposites of very high quality. In the nonequilibrium nanocomposites of poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) and BaTiO 3 nanoparticles (BTO_nps), an ultrahigh Weibull modulus β of ∼30 is achieved, which is comparable to the quality of the bench-mark biaxially oriented polypropylene (BOPP) fabricated with melt-extrusion process by much more sophisticated and expensive industrial apparatus. Favorable phase composition and small crystalline size are also induced by the nonequilibrium process, which leads to concomitant enhancement of electric displacement and breakdown strength of the nanocomposite hence a high energy density of ∼21 J/cm 3 . Study on the polarization behavior and phase transformation at high electric field indicates that BTO_nps could facilitate the phase transformation from α- to β-polymorph at low electric field.

Cr incorporated phase transformation in Y 2O 3 under ion irradiation

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

Li, Nan; Yadav, Satyesh Kumar; Xu, Yun

Under irradiation, chemical species can redistribute in ways not expected from equilibrium behavior. In oxide-dispersed ferritic alloys, the phenomenon of irradiation-induced Cr redistribution at the metal/oxide interfaces has drawn recent attention. Here, the thermal and irradiation stability of the FeCr/Y 2O 3 interface has been systematically studied. Trilayer thin films of 90 nm Fe - 20 at.% Cr (1 st layer)/100 nm Y 2O 3 (2 nd layer)/135 nm Fe - 20 at.% Cr (3 rd layer) were deposited on MgO substrates at 500 °C. After irradiation, Cr diffuses towards and enriches the FeCr/Y 2O 3 interface. Further, correlated withmore » Cr redistributed into the oxide, an amorphous layer is generated at the interface. In the Y 2O 3 layer, the original cubic phase is observed to transform to the monoclinic phase after irradiation. Meanwhile, nanosized voids, with relatively larger size at interfaces, are also observed in the oxide layer. First-principles calculations reveal that Cr substitution of Y interstitials in Y 2O 3 containing excess Y interstitials is favored and the irradiation-induced monoclinic phase enhances this process. Lastly, our findings provide new insights that may aid in the development of irradiation resistant oxide-dispersed ferritic alloys.« less

Cr incorporated phase transformation in Y2O3 under ion irradiation

PubMed Central

Li, N.; Yadav, S. K.; Xu, Y.; Aguiar, J. A.; Baldwin, J. K.; Wang, Y. Q.; Luo, H. M.; Misra, A.; Uberuaga, B. P.

2017-01-01

Under irradiation, chemical species can redistribute in ways not expected from equilibrium behavior. In oxide-dispersed ferritic alloys, the phenomenon of irradiation-induced Cr redistribution at the metal/oxide interfaces has drawn recent attention. Here, the thermal and irradiation stability of the FeCr/Y2O3 interface has been systematically studied. Trilayer thin films of 90 nm Fe - 20 at.% Cr (1st layer)/100 nm Y2O3 (2nd layer)/135 nm Fe - 20 at.% Cr (3rd layer) were deposited on MgO substrates at 500 °C. After irradiation, Cr diffuses towards and enriches the FeCr/Y2O3 interface. Further, correlated with Cr redistributed into the oxide, an amorphous layer is generated at the interface. In the Y2O3 layer, the original cubic phase is observed to transform to the monoclinic phase after irradiation. Meanwhile, nanosized voids, with relatively larger size at interfaces, are also observed in the oxide layer. First-principles calculations reveal that Cr substitution of Y interstitials in Y2O3 containing excess Y interstitials is favored and the irradiation-induced monoclinic phase enhances this process. Our findings provide new insights that may aid in the development of irradiation resistant oxide-dispersed ferritic alloys. PMID:28091522

Investigation of the phase velocities of guided acoustic waves in soft porous layers.

PubMed

Boeckx, L; Leclaire, P; Khurana, P; Glorieux, C; Lauriks, W; Allard, J F

2005-02-01

A new experimental method for measuring the phase velocities of guided acoustic waves in soft poroelastic or poroviscoelastic plates is proposed. The method is based on the generation of standing waves in the material and on the spatial Fourier transform of the displacement profile of the upper surface. The plate is glued on a rigid substrate so that it has a free upper surface and a nonmoving lower surface. The displacement is measured with a laser Doppler vibrometer along a line corresponding to the direction of propagation of plane surface waves. A continuous sine with varying frequencies was chosen as excitation signal to maximize the precision of the measurements. The spatial Fourier transform provides the wave numbers, and the phase velocities are obtained from the relationship between wave number and frequency. The phase velocities of several guided modes could be measured in a highly porous foam saturated by air. The modes were also studied theoretically and, from the theoretical results, the experimental results, and a fitting procedure, it was possible to determine the frequency behavior of the complex shear modulus and of the complex Poisson ratio from 200 Hz to 1.4 kHz, in a frequency range higher than the traditional methods.

Crystallization control for remediation of an FetO-rich CaO-SiO2-Al2O3-MgO EAF waste slag.

PubMed

Jung, Sung Suk; Sohn, Il

2014-01-01

In this work, the crystallization behavior of synthesized FetO-rich electric arc furnace (EAF) waste slags with a basicity range of 0.7 to 1.08 was investigated. Crystal growth in the melts was observed in situ using a confocal laser scanning microscope, and a delayed crystallization for higher-basicity samples was observed in the continuous cooling transformation and time temperature transformation diagrams. This result is likely due to the polymerization of the melt structure as a result of the increased number of network-forming FeO4 and AlO4 units, as suggested by Raman analysis. The complex incorporation of Al and Fe ions in the form of AlO4 and FeO4 tetrahedral units dominant in the melt structure at a higher basicity constrained the precipitation of a magnetic, nonstoichiometric, and Fe-rich MgAlFeO4 primary phase. The growth of this spinel phase caused a clear compositional separation from amorphous phase during isothermal cooling at 1473 K leading to a clear separation between the primary and amorphous phases, allowing an efficient magnetic separation of Fe compounds from the slag for effective remediation and recycling of synthesized EAF waste slags for use in higher value-added ordinary Portland cement.

Cr incorporated phase transformation in Y 2O 3 under ion irradiation

DOE PAGES

Li, Nan; Yadav, Satyesh Kumar; Xu, Yun; ...

2017-01-16

Under irradiation, chemical species can redistribute in ways not expected from equilibrium behavior. In oxide-dispersed ferritic alloys, the phenomenon of irradiation-induced Cr redistribution at the metal/oxide interfaces has drawn recent attention. Here, the thermal and irradiation stability of the FeCr/Y 2O 3 interface has been systematically studied. Trilayer thin films of 90 nm Fe - 20 at.% Cr (1 st layer)/100 nm Y 2O 3 (2 nd layer)/135 nm Fe - 20 at.% Cr (3 rd layer) were deposited on MgO substrates at 500 °C. After irradiation, Cr diffuses towards and enriches the FeCr/Y 2O 3 interface. Further, correlated withmore » Cr redistributed into the oxide, an amorphous layer is generated at the interface. In the Y 2O 3 layer, the original cubic phase is observed to transform to the monoclinic phase after irradiation. Meanwhile, nanosized voids, with relatively larger size at interfaces, are also observed in the oxide layer. First-principles calculations reveal that Cr substitution of Y interstitials in Y 2O 3 containing excess Y interstitials is favored and the irradiation-induced monoclinic phase enhances this process. Lastly, our findings provide new insights that may aid in the development of irradiation resistant oxide-dispersed ferritic alloys.« less

Versatile ligands for high-performance liquid chromatography: An overview of ionic liquid-functionalized stationary phases.

PubMed

Zhang, Mingliang; Mallik, Abul K; Takafuji, Makoto; Ihara, Hirotaka; Qiu, Hongdeng

2015-08-05

Ionic liquids (ILs), a class of unique substances composed purely by cation and anions, are renowned for their fascinating physical and chemical properties, such as negligible volatility, high dissolution power, high thermal stability, tunable structure and miscibility. They are enjoying ever-growing applications in a great diversity of disciplines. IL-modified silica, transforming the merits of ILs into chromatographic advantages, has endowed the development of high-performance liquid chromatography (HPLC) stationary phase with considerable vitality. In the last decade, IL-functionalized silica stationary phases have evolved into a series of branches to accommodate to different HPLC modes. An up-to-date overview of IL-immobilized stationary phases is presented in this review, and divided into five parts according to application mode, i.e., ion-exchange, normal-phase, reversed-phase, hydrophilic interaction and chiral recognition. Specific attention is channeled to synthetic strategies, chromatographic behavior and separation performance of IL-functionalized silica stationary phases. Copyright © 2015 Elsevier B.V. All rights reserved.

Phase transformations of 4,4'-biphenyldicarboxylic acid on Cu(001)

NASA Astrophysics Data System (ADS)

Schwarz, Daniel; van Gastel, Raoul; Zandvliet, Harold J. W.; Poelsema, Bene

2012-06-01

The growth and structure of 4,4'-biphenyldicarboxylic-acid (BDA) on Cu(001) at temperatures between 300 and 400 K was studied by low energy electron microscopy and μ-LEED. First, the adsorbed BDA molecules form a disordered dilute phase. Once this phase reaches a sufficiently high density, a crystalline phase nucleates, in which the molecules form a hydrogen-bonded two-dimensional (2D) supramolecular c(8×8) network. By a careful analysis of the bright-field image intensity, we can measure the density in the dilute phase, which is up to 30% of that in the crystalline phase. From the respective equilibrium densities at different temperatures, we determine the 2D phase diagram and extract a cohesive energy of 0.35 eV. We also analyze the island decay behavior and estimate the BDA molecule diffusion constants. Steps are found to be highly transparent for diffusing BDA molecules. In the temperature range of 362-400 K, we find chemical diffusion constants between 850-1700nm2s-1.

Stress-Induced Cubic-to-Hexagonal Phase Transformation in Perovskite Nanothin Films.

PubMed

Cao, Shi-Gu; Li, Yunsong; Wu, Hong-Hui; Wang, Jie; Huang, Baoling; Zhang, Tong-Yi

2017-08-09

The strong coupling between crystal structure and mechanical deformation can stabilize low-symmetry phases from high-symmetry phases or induce novel phase transformation in oxide thin films. Stress-induced structural phase transformation in oxide thin films has drawn more and more attention due to its significant influence on the functionalities of the materials. Here, we discovered experimentally a novel stress-induced cubic-to-hexagonal phase transformation in the perovskite nanothin films of barium titanate (BaTiO 3 ) with a special thermomechanical treatment (TMT), where BaTiO 3 nanothin films under various stresses are annealed at temperature of 575 °C. Both high-resolution transmission electron microscopy and Raman spectroscopy show a higher density of hexagonal phase in the perovskite thin film under higher tensile stress. Both X-ray photoelectron spectroscopy and electron energy loss spectroscopy does not detect any change in the valence state of Ti atoms, thereby excluding the mechanism of oxygen vacancy induced cubic-to-hexagonal (c-to-h) phase transformation. First-principles calculations show that the c-to-h phase transformation can be completed by lattice shear at elevated temperature, which is consistent with the experimental observation. The applied bending plus the residual tensile stress produces shear stress in the nanothin film. The thermal energy at the elevated temperature assists the shear stress to overcome the energy barriers during the c-to-h phase transformation. The stress-induced phase transformation in perovskite nanothin films with TMT provides materials scientists and engineers a novel approach to tailor nano/microstructures and properties of ferroelectric materials.

Phonon Mode Transformation across the Orthohombic-Tetragonal Phase Transition in a Lead-Iodide Perovskite CH3NH3PbI3: a Terahertz Time-Domain Spectroscopy Approach

NASA Astrophysics Data System (ADS)

Chia, Elbert E. M.; La-O-Vorakiat, Chan; Kadro, Jeannette; Salim, Teddy; Zhao, Daming; Ahmed, Towfiq; Lam, Yeng Ming; Zhu, Jian-Xin; Marcus, Rudolph; Michel-Beyerle, Maria-Elisabeth

Using terahertz time-domain spectroscopy (THz-TDS), we study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH3NH3PbI3 thin film across the terahertz (0.5-3 THz) and temperature (20-300 K) ranges. These modes are related to the vibration of the Pb-I bonds. We found that two phonon modes in the tetragonal phase at room temperature split into four modes in the low-temperature orthorhombic phase. By use of the Lorentz model fitting, we analyze the critical behavior of this phase transition. King Mongkut's University of Technology Thonburi (Grant No. SCI58-003), Singapore MOE Tier 1 (RG13/12, RG123/14), ONR, ARO, NTU Biophysics Center, LANL LDRD, LANL CINT.

Simulation studies of GST phase change alloys

NASA Astrophysics Data System (ADS)

Martyna, Glenn

2008-03-01

In order to help drive post-Moore's Law technology development, switching processes involving novel materials, in particular, GeSbTe (GST) alloys are being investigated for use in memory and eFuse applications. An anneal/quench thermal process crystallizes/amorphosizes a GST alloy which then has a low/high resistance and thereby forms a readable/writeable bit; for example, a ``one'' might be the low resistance, conducting crystalline state and a ``zero'' might be the high resistance, glassy state. There are many open questions about the precise nature of the structural transitions and the coupling to electronic structure changes. Computational and experimental studies of the effect of pressure on the GST materials were initiated in order to probe the physics behind the thermal switching process. A new pathway to reversible phase change involving pressure-induced structural metal insulator transitions was discovered. In a binary GS system, a room-temperature, direct, pressure-induced transformation from the high resistance amorphous phase to the low resistance crystalline phase was observed experimentally while the reverse process under tensile load was demonstrated via ab initio MD simulations performed on IBM's Blue Gene/L enabled by massively parallel software. Pressure induced transformations of the ternary material GST-225 (Ge2Sb2Te5) were, also, examined In the talk, the behavior of the two systems will be compared and insight into the nature of the phase change given.

Spatiotemporal Receptive Field Properties of a Looming-Sensitive Neuron in Solitarious and Gregarious Phases of the Desert Locust

PubMed Central

Harston, George W. J.; Kilburn-Toppin, Fleur; Matheson, Thomas; Burrows, Malcolm; Gabbiani, Fabrizio; Krapp, Holger G.

2010-01-01

Desert locusts (Schistocerca gregaria) can transform reversibly between the swarming gregarious phase and a solitarious phase, which avoids other locusts. This transformation entails dramatic changes in morphology, physiology, and behavior. We have used the lobula giant movement detector (LGMD) and its postsynaptic target, the descending contralateral movement detector (DCMD), which are visual interneurons that detect looming objects, to analyze how differences in the visual ecology of the two phases are served by altered neuronal function. Solitarious locusts had larger eyes and a greater degree of binocular overlap than those of gregarious locusts. The receptive field to looming stimuli had a large central region of nearly equal response spanning 120° × 60° in both phases. The DCMDs of gregarious locusts responded more strongly than solitarious locusts and had a small caudolateral focus of even further sensitivity. More peripherally, the response was reduced in both phases, particularly ventrally, with gregarious locusts showing greater proportional decrease. Gregarious locusts showed less habituation to repeated looming stimuli along the eye equator than did solitarious locusts. By contrast, in other parts of the receptive field the degree of habituation was similar in both phases. The receptive field organization to looming stimuli contrasts strongly with the receptive field organization of the same neurons to nonlooming local-motion stimuli, which show much more pronounced regional variation. The DCMDs of both gregarious and solitarious locusts are able to detect approaching objects from across a wide expanse of visual space, but phase-specific changes in the spatiotemporal receptive field are linked to lifestyle changes. PMID:19955292

Phase Stability and Stress-Induced Transformations in Beta Titanium Alloys

NASA Astrophysics Data System (ADS)

Kolli, R. Prakash; Joost, William J.; Ankem, Sreeramamurthy

2015-06-01

In this article, we provide a brief review of the recent developments related to the relationship between phase stability and stress-induced transformations in metastable body-centered-cubic β-phase titanium alloys. Stress-induced transformations occur during tensile, compressive, and creep loading and influence the mechanical response. These transformations are not fully understood and increased understanding of these mechanisms will permit future development of improved alloys for aerospace, biomedical, and energy applications. In the first part of this article, we review phase stability and discuss a few recent developments. In the second section, we discuss the current status of understanding stress-induced transformations and several areas that require further study. We also provide our perspective on the direction of future research efforts. Additionally, we address the occurrence of the hcp ω-phase and the orthorhombic α″-martensite phase stress-induced transformations.

Novel Formulations of Phase Change Materials—Epoxy Composites for Thermal Energy Storage

PubMed Central

Alvarez Feijoo, Miguel Angel

2018-01-01

This research aimed to evaluate the thermal properties of new formulations of phase change materials (PCMs)-epoxy composites, containing a thickening agent and a thermally conductive phase. The composite specimens produced consisted of composites fabricated using (a) inorganic PCMs (hydrated salts), epoxy resins and aluminum particulates or (b) organic PCM (paraffin), epoxy resins, and copper particles. Differential Scanning Calorimetry (DSC) was used to analyze the thermal behavior of the samples, while hardness measurements were used to determine changes in mechanical properties at diverse PCM and conductive phase loading values. The results indicate that the epoxy matrix can act as a container for the PCM phase without hindering the heat-absorbing behavior of the PCMs employed. Organic PCMs presented reversible phase transformations over multiple cycles, an advantage that was lacking in their inorganic counterparts. The enthalpy of the organic PCM-epoxy specimens increased linearly with the PCM content in the matrix. The use of thickening agents prevented phase segregation issues and allowed the fabrication of specimens containing up to 40% PCM, a loading significantly higher than others reported. The conductive phase seemed to improve the heat transfer and the mechanical properties of the composites when present in low percentages (<10 wt %); however, given its mass, the enthalpy detected in the composites was reduced as their loading further increased. The conductive phase combination (PCM + epoxy resin + hardener + thickening agent) presents great potential as a heat-absorbing material at the temperatures employed. PMID:29373538

Novel Formulations of Phase Change Materials-Epoxy Composites for Thermal Energy Storage.

PubMed

Arce, Maria Elena; Alvarez Feijoo, Miguel Angel; Suarez Garcia, Andres; Luhrs, Claudia C

2018-01-26

This research aimed to evaluate the thermal properties of new formulations of phase change materials (PCMs)-epoxy composites, containing a thickening agent and a thermally conductive phase. The composite specimens produced consisted of composites fabricated using (a) inorganic PCMs (hydrated salts), epoxy resins and aluminum particulates or (b) organic PCM (paraffin), epoxy resins, and copper particles. Differential Scanning Calorimetry (DSC) was used to analyze the thermal behavior of the samples, while hardness measurements were used to determine changes in mechanical properties at diverse PCM and conductive phase loading values. The results indicate that the epoxy matrix can act as a container for the PCM phase without hindering the heat-absorbing behavior of the PCMs employed. Organic PCMs presented reversible phase transformations over multiple cycles, an advantage that was lacking in their inorganic counterparts. The enthalpy of the organic PCM-epoxy specimens increased linearly with the PCM content in the matrix. The use of thickening agents prevented phase segregation issues and allowed the fabrication of specimens containing up to 40% PCM, a loading significantly higher than others reported. The conductive phase seemed to improve the heat transfer and the mechanical properties of the composites when present in low percentages (<10 wt %); however, given its mass, the enthalpy detected in the composites was reduced as their loading further increased. The conductive phase combination (PCM + epoxy resin + hardener + thickening agent) presents great potential as a heat-absorbing material at the temperatures employed.

Shear-driven phase transformation in silicon nanowires

NASA Astrophysics Data System (ADS)

Vincent, L.; Djomani, D.; Fakfakh, M.; Renard, C.; Belier, B.; Bouchier, D.; Patriarche, G.

2018-03-01

We report on an unprecedented formation of allotrope heterostructured Si nanowires by plastic deformation based on applied radial compressive stresses inside a surrounding matrix. Si nanowires with a standard diamond structure (3C) undergo a phase transformation toward the hexagonal 2H-allotrope. The transformation is thermally activated above 500 °C and is clearly driven by a shear-stress relief occurring in parallel shear bands lying on {115} planes. We have studied the influence of temperature and axial orientation of nanowires. The observations are consistent with a martensitic phase transformation, but the finding leads to clear evidence of a different mechanism of deformation-induced phase transformation in Si nanowires with respect to their bulk counterpart. Our process provides a route to study shear-driven phase transformation at the nanoscale in Si.

Shear-driven phase transformation in silicon nanowires.

PubMed

Vincent, L; Djomani, D; Fakfakh, M; Renard, C; Belier, B; Bouchier, D; Patriarche, G

2018-03-23

We report on an unprecedented formation of allotrope heterostructured Si nanowires by plastic deformation based on applied radial compressive stresses inside a surrounding matrix. Si nanowires with a standard diamond structure (3C) undergo a phase transformation toward the hexagonal 2H-allotrope. The transformation is thermally activated above 500 °C and is clearly driven by a shear-stress relief occurring in parallel shear bands lying on {115} planes. We have studied the influence of temperature and axial orientation of nanowires. The observations are consistent with a martensitic phase transformation, but the finding leads to clear evidence of a different mechanism of deformation-induced phase transformation in Si nanowires with respect to their bulk counterpart. Our process provides a route to study shear-driven phase transformation at the nanoscale in Si.

Geometric Universality in Brain Allosteric Protein Dynamics: Complex Hydrophobic Transformation Predicts Mutual Recognition by Polypeptides and Proteins,

DTIC Science & Technology

1986-10-01

organic acids using the Hammett equation , has been called the hydrophobic effect.’ Water adjusts its geometry to maximize the number of intact hydrogen...understanding both structural stability with respect to the underlying equations (not initial values) and phase transitions in these dynamical hierarchies...for quantitative characterization. Although the complicated behavior is gen- erated by deterministic equations , its description in entropies leads to

Deformation behavior of additively manufactured GP1 stainless steel

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

Clausen, B.; Brown, D. W.; Carpenter, J. S.

In-situ neutron diffraction measurements were performed in this paper during heat-treating and uniaxial loading of additively manufactured (AM) GP1 material. Although the measured chemical composition of the GP1 powder falls within the composition specifications of 17-4 PH steel, a fully martensitic alloy in the wrought condition, the crystal structure of the as-built GP1 material is fully austenitic. Chemical analysis of the as-built material shows high oxygen and nitrogen content, which then significantly decreased after heat-treating in a vacuum furnace at 650 °C for one hour. Significant austenite-to-martensite phase transformation is observed during compressive and tensile loading of the as-built andmore » heat-treated material with accompanied strengthening as martensite volume fraction increases. During loading, the initial average phase stress state in the martensite is hydrostatic compression independent of the loading direction. Finally, preferred orientation transformation in austenite and applied load accommodation by variant selection in martensite are observed via measurements of the texture development.« less

The effect of microstructure on the deformation modes and mechanical properties of Ti-6Al-2Nb-1Ta-0.8Mo: Part II. Equiaxed structures

NASA Astrophysics Data System (ADS)

Lin, Fu-Shiong; Starke, E. A.; Gysler, A.

1984-10-01

The Ti-6Al-2Nb-lTa-0.8Mo alloy was processed to develop both near-basal and transverse textures. Samples were annealed at different temperatures to vary the equiaxed alpha grain size and the thick-ness of the grain boundary beta, and subsequently quenched in order to transform the beta phase to either martensite, tempered martensite, or Widmanstätten alpha + beta. The effect of microstructure and texture on tensile properties and on fracture toughness was investigated. In addition, yield locus diagrams were constructed in order to study the texture strengthening effect. The yield strength was found to be strongly dependent on the thickness and Burgers relationship of the transformed beta phase surrounding the alpha grains. A texture hardening effect as large as 60 pct was found for the basal-texture material but only 15 pct for the transverse texture material. These variations are asso-ciated with differences in deformation behavior.

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

Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye

Strain engineering is a promising method for next-generation materials processing techniques. Here, we use mechanical milling and annealing followed by compression in diamond anvil cell to tailor the intrinsic and extrinsic strain in pyrochlore, Dy 2Ti 2O 7 and Dy 2Zr 2O 7. Raman spectroscopy, X-ray pair distribution function analysis, and X-ray diffraction were used to characterize atomic order over short-, medium-, and long-range spatial scales, respectively, under ambient conditions. Raman spectroscopy and X-ray diffraction were further employed to interrogate the material in situ at high pressure. High-pressure behavior is found to depend on the species and concentration of defectsmore » in the sample at ambient conditions. Overall, we show that defects can be engineered to lower the phase transformation onset pressure by ~50% in the ordered pyrochlore Dy 2Ti 2O 7, and lower the phase transformation completion pressure by ~20% in the disordered pyrochlore Dy 2Zr 2O 7. Lastly, these improvements are achieved without significantly sacrificing mechanical integrity, as characterized by bulk modulus.« less

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

Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye

Strain engineering is a promising method for next-generation materials processing techniques. Here, we use mechanical milling and annealing followed by compression in diamond anvil cell to tailor the intrinsic and extrinsic strain in pyrochlore, Dy 2Ti 2O 7 and Dy 2Zr 2O 7. Raman spectroscopy, X-ray pair distribution function analysis, and X-ray diffraction were used to characterize atomic order over short-, medium-, and long-range spatial scales, respectively, under ambient conditions. Raman spectroscopy and X-ray diffraction were further employed to interrogate the material in situ at high pressure. High-pressure behavior is found to depend on the species and concentration of defectsmore » in the sample at ambient conditions. Overall, we show that defects can be engineered to lower the phase transformation onset pressure by ~50% in the ordered pyrochlore Dy 2Zr 2O 7, and lower the phase transformation completion pressure by ~20% in the disordered pyrochlore Dy 2Zr 2O 7. These improvements are achieved without significantly sacrificing mechanical integrity, as characterized by bulk modulus.« less

Deformation behavior of additively manufactured GP1 stainless steel

DOE PAGES

Clausen, B.; Brown, D. W.; Carpenter, J. S.; ...

2017-04-22

In-situ neutron diffraction measurements were performed in this paper during heat-treating and uniaxial loading of additively manufactured (AM) GP1 material. Although the measured chemical composition of the GP1 powder falls within the composition specifications of 17-4 PH steel, a fully martensitic alloy in the wrought condition, the crystal structure of the as-built GP1 material is fully austenitic. Chemical analysis of the as-built material shows high oxygen and nitrogen content, which then significantly decreased after heat-treating in a vacuum furnace at 650 °C for one hour. Significant austenite-to-martensite phase transformation is observed during compressive and tensile loading of the as-built andmore » heat-treated material with accompanied strengthening as martensite volume fraction increases. During loading, the initial average phase stress state in the martensite is hydrostatic compression independent of the loading direction. Finally, preferred orientation transformation in austenite and applied load accommodation by variant selection in martensite are observed via measurements of the texture development.« less

Nano-deformation behavior of silicon (100) film studied by depth sensing indentation and nanoscratch technique

NASA Astrophysics Data System (ADS)

Geetha, D.; Pratyank, R.; Kiran, P.

2018-04-01

Silicon being the most important material applied in microelectronic and photovoltaic technology, repeated investigation of the mechanical properties becomes essential. The nanoscale elastic-plastic deformation characteristics of Si (100) film were analyzed using nanoindentation and nanoscratch techniques. The hardness and elastic modulus values of the film obtained from nanoindentation tests were found to be consistent with the reported values. The load-displacement curves showed discontinuities and kinks which confirms the plastic behaviour of Si. The indentation induced plastic deformations were the consequences of the phase transformations. The critical shear stress, tensile strength and plastic zone size, of the Si film when subjected to nanoindentation were determined. The nanoscratch tests were performed to understand the tribological properties of the film. The SPM images of both the nanoindentation and nanoscratch profiles were useful in revealing the plastic character in terms of the piling up of matter in the vicinity of the dents. Conclusions were drawn in quantifying the plastic deformations and phase transformations.

Thermal expansion characteristics of Fe-9Cr-0.12C-0.56Mn-0.24V-1.38W-0.06Ta (wt.%) reduced activation ferritic-martensitic steel

NASA Astrophysics Data System (ADS)

Subramanian, Raju; Tripathy, Haraprasanna; Rai, Arun Kumar; Hajra, Raj Narayan; Saibaba, Saroja; Jayakumar, Tammana; Rajendra Kumar, Ellappan

2015-04-01

The lattice and bulk thermal expansion behavior of an Indian version of reduced activation ferritic-martensitic (INRAFM) steel has been quantified using high temperature X-ray diffraction and dilatometry. The lattice parameter of tempered α-ferrite phase exhibited a smooth quadratic increase with temperature, while that of γ-austenite remained fairly linear up to 1273 K. The results suggest that α-ferrite + Carbides → γ-austenite transformation occurs upon continuous heating in the temperature range, 1146 ⩽ T ⩽ 1173 K. Further, this transformation is found to be accompanied by a reduction in average atomic volume. The mean linear thermal expansion coefficients of tempered α-ferrite and γ-austenite phases are estimated to be about 1.48 × 10-5 and 2.4 × 10-5 K-1 respectively. The magnetic contribution to relative thermal dilatation (Δl/l298)mag is found to be small and negative, as compared to phonon contribution.

Phase transformation kinetics in rolled U-10 wt. % Mo foil: Effect of post-rolling heat treatment and prior γ-UMo grain size

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

Jana, Saumyadeep; Overman, Nicole; Varga, Tamas

The effect of sub-eutectoid heat treatment on the phase transformation behavior in rolled U-10 wt.percent Mo (U10Mo) foils was systematically investigated. The as-cast 5 mm thick foils were initially homogenized at 900 degrees C for 48 hours and were hot rolled to 2 mm and later cold rolled down to 0.2 mm. Three starting microstructures were evaluated: (i) hot- + cold-rolled to 0.2 mm (as-rolled condition), (ii) hot- + cold-rolled to 0.2 mm + annealed at 700 deg. C for 1 hour, and (iii) hot- + cold-rolled to 0.2 mm + annealed at 1000 deg. C for 60 hours. U10Momore » rolled foils went through various degrees of decomposition when subjected to the sub-eutectoid heat-treatment step and formed a lamellar microstructure through a cellular reaction mostly along the previous γ-UMo grain boundaries.« less

Phase Behavior of Complex Superprotonic Solid Acids

NASA Astrophysics Data System (ADS)

Panithipongwut, Chatr

Superprotonic phase transitions and thermal behaviors of three complex solid acid systems are presented, namely Rb3H(SO4) 2-RbHSO4 system, Rb3H(SeO4)2-Cs 3H(SeO4)2 solid solution system, and Cs6 (H2SO4)3(H1.5PO4) 4. These material systems present a rich set of phase transition characteristics that set them apart from other, simpler solid acids. A.C. impedance spectroscopy, high-temperature X-ray powder diffraction, and thermal analysis, as well as other characterization techniques, were employed to investigate the phase behavior of these systems. Rb3H(SO4)2 is an atypical member of the M3H(XO4)2 class of compounds (M = alkali metal or NH4+ and X = S or Se) in that a transition to a high-conductivity state involves disproportionation into two phases rather than a simple polymorphic transition [1]. In the present work, investigations of the Rb3H(SO4)2-RbHSO4 system have revealed the disproportionation products to be Rb2SO 4 and the previously unknown compound Rb5H3(SO 4)4. The new compound becomes stable at a temperature between 25 and 140 °C and is isostructural to a recently reported trigonal phase with space group P3m of Cs5H 3(SO4)4 [2]. At 185 °C the compound undergoes an apparently polymorphic transformation with a heat of transition of 23.8 kJ/mol and a slight additional increase in conductivity. The compounds Rb3H(SeO4)2 and Cs 3H(SeO4)2, though not isomorphous at ambient temperatures, are quintessential examples of superprotonic materials. Both adopt monoclinic structures at ambient temperatures and ultimately transform to a trigonal (R3m) superprotonic structure at slightly elevated temperatures, 178 and 183 °C, respectively. The compounds are completely miscible above the superprotonic transition and show extensive solubility below it. Beyond a careful determination of the phase boundaries, we find a remarkable 40-fold increase in the superprotonic conductivity in intermediate compositions rich in Rb as compared to either end-member. The compound Cs6(H2SO4)3(H 1.5PO4)4 is unusual amongst solid acid compounds in that it has a complex cubic structure at ambient temperature and apparently transforms to a simpler cubic structure of the CsCl-type (isostructural with CsH2PO4) at its transition temperature of 100-120 °C [3]. Here it is found that, depending on the level of humidification, the superprotonic transition of this material is superimposed with a decomposition reaction, which involves both exsolution of (liquid) acid and loss of H2O. This reaction can be suppressed by application of sufficiently high humidity, in which case Cs6(H2SO4)3(H 1.5PO4)4 undergoes a true superprotonic transition. It is proposed that, under conditions of low humidity, the decomposition/dehydration reaction transforms the compound to Cs6(H2-0.5xSO 4)3(H1.5PO4)4-x, also of the CsCl structure type at the temperatures of interest, but with a smaller unit cell. With increasing temperature, the decomposition/dehydration proceeds to greater and greater extent and unit cell of the solid phase decreases. This is identified to be the source of the apparent negative thermal expansion behavior. References: [1] L.A. Cowan, R.M. Morcos, N. Hatada, A. Navrotsky, S.M. Haile, Solid State Ionics 179 (2008) (9-10) 305. [2] M. Sakashita, H. Fujihisa, K.I. Suzuki, S. Hayashi, K. Honda, Solid State Ionics 178 (2007) (21-22) 1262. [3] C.R.I. Chisholm, Superprotonic Phase Transitions in Solid Acids: Parameters affecting the presence and stability of superprotonic transitions in the MHnXO4 family of compounds (X=S, Se, P, As; M=Li, Na, K, NH4, Rb, Cs), Materials Science, California Institute of Technology, Pasadena, California (2003).

Deformation mode and strain path dependence of martensite phase transformation in a medium manganese TRIP steel

DOE PAGES

Wu, Wei; Wang, Yu-wei; Makrygiannis, Panagiotis; ...

2017-11-06

The martensite phase transformation dependence upon deformation modes and strain paths in a medium manganese (10 wt%) TRIP steel stamped into a T-shape panel was quantified through combination of 3D digital image correlation and synchrotron X-ray diffraction. The T-shape emulates a portion of a common anti-intrusion component. The stamping speed was kept intentionally slow (1 mm/s) so as to avoid excessive heat generation. The steel, which belongs to the third generation advanced high strength steel (3GAHSS) family, was chosen for two reasons: (1) it is two-phase, i.e. austenite and ferrite, with martensite resulting from deformation-induced phase transformation; (2) the 66more » vol.% initial retained austenite volume fraction (RAVF) enabled a thorough examination of the martensite phase transformation at large deformation levels without exhaustion. Strain fields were coupled with measured RAVF values of small specimens extracted from specific locations on a formed T-shape panel. This enabled an exploration of the effects of linear, bilinear, and non-linear strain paths as well as deformation modes such as tension, plane strain, biaxial tension, and equibiaxial tension. Results suggest a significant martensite phase transformation dependence on deformation mode and strain path in the absence of fracture and when martensite phase transformation is unaffected by heat generated during forming. In general, the uniaxial and biaxial tension deformation modes facilitate the martensite phase transformation, while the smallest amount of martensite phase transformation occurs under plane strain. Some discussion as to further application of the experimental methods detailed in this study to other 3GAHSS and the effects of fracture on martensite phase transformation is provided.« less

Deformation mode and strain path dependence of martensite phase transformation in a medium manganese TRIP steel

DOE PAGES

Wu, Wei; Wang, Yu -Wei; Makrygiannis, Panagiotis; ...

2017-11-06

The martensite phase transformation dependence upon deformation modes and strain paths in a medium manganese (10 wt%) TRIP steel stamped into a T-shape panel was quantified through combination of 3D digital image correlation and synchrotron X-ray diffraction. The T-shape emulates a portion of a common anti-intrusion component. The stamping speed was kept intentionally slow (1 mm/s) so as to avoid excessive heat generation. The steel, which belongs to the third generation advanced high strength steel (3GAHSS) family, was chosen for two reasons: (1) it is two-phase, i.e. austenite and ferrite, with martensite resulting from deformation-induced phase transformation; (2) the 66more » vol.% initial retained austenite volume fraction (RAVF) enabled a thorough examination of the martensite phase transformation at large deformation levels without exhaustion. Strain fields were coupled with measured RAVF values of small specimens extracted from specific locations on a formed T-shape panel. This enabled an exploration of the effects of linear, bilinear, and non-linear strain paths as well as deformation modes such as tension, plane strain, biaxial tension, and equibiaxial tension. Results suggest a significant martensite phase transformation dependence on deformation mode and strain path in the absence of fracture and when martensite phase transformation is unaffected by heat generated during forming. In general, the uniaxial and biaxial tension deformation modes facilitate the martensite phase transformation, while the smallest amount of martensite phase transformation occurs under plane strain. In conclusion, some discussion as to further application of the experimental methods detailed in this study to other 3GAHSS and the effects of fracture on martensite phase transformation is provided.« less

Deformation mode and strain path dependence of martensite phase transformation in a medium manganese TRIP steel

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

Wu, Wei; Wang, Yu -Wei; Makrygiannis, Panagiotis

The martensite phase transformation dependence upon deformation modes and strain paths in a medium manganese (10 wt%) TRIP steel stamped into a T-shape panel was quantified through combination of 3D digital image correlation and synchrotron X-ray diffraction. The T-shape emulates a portion of a common anti-intrusion component. The stamping speed was kept intentionally slow (1 mm/s) so as to avoid excessive heat generation. The steel, which belongs to the third generation advanced high strength steel (3GAHSS) family, was chosen for two reasons: (1) it is two-phase, i.e. austenite and ferrite, with martensite resulting from deformation-induced phase transformation; (2) the 66more » vol.% initial retained austenite volume fraction (RAVF) enabled a thorough examination of the martensite phase transformation at large deformation levels without exhaustion. Strain fields were coupled with measured RAVF values of small specimens extracted from specific locations on a formed T-shape panel. This enabled an exploration of the effects of linear, bilinear, and non-linear strain paths as well as deformation modes such as tension, plane strain, biaxial tension, and equibiaxial tension. Results suggest a significant martensite phase transformation dependence on deformation mode and strain path in the absence of fracture and when martensite phase transformation is unaffected by heat generated during forming. In general, the uniaxial and biaxial tension deformation modes facilitate the martensite phase transformation, while the smallest amount of martensite phase transformation occurs under plane strain. In conclusion, some discussion as to further application of the experimental methods detailed in this study to other 3GAHSS and the effects of fracture on martensite phase transformation is provided.« less

Deformation mode and strain path dependence of martensite phase transformation in a medium manganese TRIP steel

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

Wu, Wei; Wang, Yu-wei; Makrygiannis, Panagiotis

The martensite phase transformation dependence upon deformation modes and strain paths in a medium manganese (10 wt%) TRIP steel stamped into a T-shape panel was quantified through combination of 3D digital image correlation and synchrotron X-ray diffraction. The T-shape emulates a portion of a common anti-intrusion component. The stamping speed was kept intentionally slow (1 mm/s) so as to avoid excessive heat generation. The steel, which belongs to the third generation advanced high strength steel (3GAHSS) family, was chosen for two reasons: (1) it is two-phase, i.e. austenite and ferrite, with martensite resulting from deformation-induced phase transformation; (2) the 66more » vol.% initial retained austenite volume fraction (RAVF) enabled a thorough examination of the martensite phase transformation at large deformation levels without exhaustion. Strain fields were coupled with measured RAVF values of small specimens extracted from specific locations on a formed T-shape panel. This enabled an exploration of the effects of linear, bilinear, and non-linear strain paths as well as deformation modes such as tension, plane strain, biaxial tension, and equibiaxial tension. Results suggest a significant martensite phase transformation dependence on deformation mode and strain path in the absence of fracture and when martensite phase transformation is unaffected by heat generated during forming. In general, the uniaxial and biaxial tension deformation modes facilitate the martensite phase transformation, while the smallest amount of martensite phase transformation occurs under plane strain. Some discussion as to further application of the experimental methods detailed in this study to other 3GAHSS and the effects of fracture on martensite phase transformation is provided.« less

Dynamics of polymerization induced phase separation in reactive polymer blends

NASA Astrophysics Data System (ADS)

Lee, Jaehyung

Mechanisms and dynamics of phase decomposition following polymerization induced phase separation (PIPS) of reactive polymer blends have been investigated experimentally and theoretically. The phenomenon of PIPS is a non-equilibrium and non-linear dynamic process. The mechanism of PIPS has been thought to be a nucleation and growth (NG) type originally, however, newer results indicate spinodal decomposition (SD). In PIPS, the coexistence curve generally passes through the reaction temperature at off-critical compositions, thus phase separation has to be initiated first in the metastable region where nucleation occurs. When the system farther drifts from the metastable to unstable region, the NG structure transforms to the SD bicontinuous morphology. The crossover behavior of PIPS may be called nucleation initiated spinodal decomposition (NISD). The formation of newer domains between the existing ones is responsible for the early stage of PIPS. Since PIPS is non- equilibrium kinetic process, it would not be surprising to discern either or both structures. The phase separation dynamics of DGEBA/CTBN mixtures having various kinds of curing agents from low reactivity to high reactivity and various amount of curing agents were examined at various reaction temperatures. The phase separation behavior was monitored by a quantity of scattered light intensity experimentally and by a quantity of collective structure factor numerically. Prior to the study of phase separation dynamics, a preliminary investigation on the isothermal cure behavior of the mixtures were executed in order to determine reaction kinetics parameters. The cure behavior followed the overall second order reaction kinetics. Next, based on the knowledge obtained from the phase separation dynamics study of DGEBA/CTBN mixtures, the phase separation dynamics of various composition of DGEBA/R45EPI mixtures having MDA as a curing agent were investigated. The phase separation behavior was quite dependent upon the composition variation. R45EPI itself can react with itself or with DGEBA without curing, therefore three-component system was considered in this mixture. For the numerical studies of this three- component mixture, a system that is composed of a reactive component-1 that is miscible with its growing molecules and another reactive component-2 that is not miscible with its growing molecules was considered with crosslinking reaction kinetics of the each component.

Tunable arbitrary unitary transformer based on multiple sections of multicore fibers with phase control.

PubMed

Zhou, Junhe; Wu, Jianjie; Hu, Qinsong

2018-02-05

In this paper, we propose a novel tunable unitary transformer, which can achieve arbitrary discrete unitary transforms. The unitary transformer is composed of multiple sections of multi-core fibers with closely aligned coupled cores. Phase shifters are inserted before and after the sections to control the phases of the waves in the cores. A simple algorithm is proposed to find the optimal phase setup for the phase shifters to realize the desired unitary transforms. The proposed device is fiber based and is particularly suitable for the mode division multiplexing systems. A tunable mode MUX/DEMUX for a three-mode fiber is designed based on the proposed structure.

Monotropic polymorphism in a glass-forming metallic alloy

NASA Astrophysics Data System (ADS)

Pogatscher, S.; Leutenegger, D.; Schawe, J. E. K.; Maris, P.; Schäublin, R.; Uggowitzer, P. J.; Löffler, J. F.

2018-06-01

This study investigates the crystallization and phase transition behavior of the amorphous metallic alloy Au70Cu5.5Ag7.5Si17. This alloy has been recently shown to exhibit a transition of a metastable to a more stable crystalline state, occurring via metastable melting under strong non-equilibrium conditions. Such behavior had so far not been observed in other metallic alloys. In this investigation fast differential scanning calorimetry (FDSC) is used to explore crystallization and the solid–liquid–solid transition upon linear heating and during isothermal annealing, as a function of the conditions under which the metastable phase is formed. It is shown that the occurrence of the solid–liquid–solid transformation in FDSC depends on the initial conditions; this is explained by a history-dependent nucleation of the stable crystalline phase. The microstructure was investigated by scanning and transmission electron microscopy and x-ray diffraction. Chemical mapping was performed by energy dispersive x-ray spectrometry. The relationship between the microstructure and the phase transitions observed in FSDC is discussed with respect to the possible kinetic paths of the solid–liquid–solid transition, which is a typical phenomenon in monotropic polymorphism.

The effect of Ti-B on stabilization of Cu-Zn-Al martensite

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

Stipcich, M.; Romero, R.

1998-10-05

The application of shape memory effect in devices requires, in many cases, stable and reliable transformation temperatures. However, as a consequence of diffusional processes, in Cu-based shape memory alloys, reverse transformation temperature significantly rises after aging at temperatures above room temperature. This generally unwanted behavior is usually referred to as the stabilization of martensite. Numerous investigations have been carried out on this subject as reviewed by Ahlers and Chandrasekaran et al. Within the Cu-based alloys the Cu-Zn-Al are claimed to be more prone to stabilization than Cu-Al-Ni on aging. It has been proposed that in the Cu-Zn-Al the stabilization ismore » due to the interchange of Cu and Zn atoms assisted by vacancies, changing, consequently, the long range order inherited from the {beta} phase. In the present work, the authors investigate the stabilization behavior of polycrystalline samples of stress induced Cu-Zn-Al and Cu-Zn-Al-B martensite.« less

Investigating the evolution of the phase behavior of AOT-based w/o microemulsions in dodecane as a function of droplet volume fraction.

PubMed

Ganguly, R; Choudhury, N

2012-04-15

AOT-based water in oil (w/o) microemulsions are one of the most extensively studied reverse micellar systems because of their rich phase behavior and their ability to form in the absence of any co-surfactant. The aggregation characteristics and interaction of the microemulsion droplets in these systems are known to be governed by AOT-oil compatibility and water to AOT molar ratio (w). In this manuscript by using Dynamic Light Scattering (DLS) and viscometry techniques, we show that droplet volume fraction too plays an important role in shaping the phase behavior of these microemulsions in dodecane. The phase separation characteristics and the evolution of the viscosity and the hydrodynamic radius of the microemulsion droplets on approaching the cloud points have thus been found to undergo complete transformation as one goes from low to high droplet volume fraction even at a fixed 'w'. Modeling of the DLS data attributes this to the weakening of inter droplet attractive interaction caused by the growing dominance of the excluded volume effect with increase in droplet volume fraction. In the literature, the inter droplet attractive interaction driven phase separation in these microemulsions is explained based on gas-liquid type phase transition, conceptualized in the framework of Baxter adhesive hard sphere theory. The modeling of our viscosity data, however, does not support such proposition as the characteristic stickiness parameter (τ(-1)) of the microemulsion droplets in this system remains much lower than the critical value (τ(c)(-1)≈10.25) required to enforce such phase transition. Copyright © 2012 Elsevier Inc. All rights reserved.

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

Ulvestad, A.; Welland, M. J.; Cha, W.

Crystallographic imperfections can significantly alter material properties and responses to external stimuli, including solute induced phase transformations and crystal growth and dissolution . Despite recent progress in imaging defects using both electron and x-ray techniques, in situ three-dimensional imaging studies of defect dynamics, necessary to understand and engineer nanoscale processes, remains challenging. Here, we report in situ three-dimensional imaging of defect dynamics during the hydriding phase transformation of individual palladium nanocrystals by Bragg Coherent Diffractive Imaging (BCDI) . During constant pressure experiments, we observed that the phase transformation begins after the nucleation of dislocations in large (300 nm) particles. Themore » 3D dislocation network shows that dislocations are close to the phase boundary. The 3D phase morphology resolved by BCDI suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than the core-shell model commonly assumed. We substantiate this conclusion using 3D phase field modeling and demonstrate how phase morphology affects the critical size for dislocation nucleation. We determine the size dependence of the transformation pressure for large (150-300 nm) palladium nanocrystals using variable pressure experiments. Our results reveal a pathway for solute induced structural phase transformations in nanocrystals and demonstrate BCDI as a novel method for understanding dislocation dynamics in phase transforming systems at the nanoscale.« less

Equation of state, phase stability, and phase transformations of uranium-6 wt. % niobium under high pressure and temperature

NASA Astrophysics Data System (ADS)

Zhang, Jianzhong; Vogel, Sven; Brown, Donald; Clausen, Bjorn; Hackenberg, Robert

2018-05-01

In-situ time-of-flight neutron diffraction experiments were conducted on the uranium-niobium alloy with 6 wt. % Nb (U-6Nb) at pressures up to 4.7 GPa and temperatures up to 1073 K. Upon static compression at room temperature, the monoclinic structure of U-6Nb (α″ U-6Nb) remains stable up to the highest experimental pressure. Based on the pressure-volume measurements at room temperature, the least-squares fit using the finite-strain equation of state (EOS) yields an isothermal bulk modulus of B0 = 127 ± 2 GPa for the α″-phase of U-6Nb. The calculated zero-pressure bulk sound speed from this EOS is 2.706 ± 0.022 km/s, which is in good agreement with the linear extrapolation of the previous Hugoniot data above 12 GPa for α″ U-6Nb, indicating that the dynamic response under those shock-loading conditions is consistent with the stabilization of the initial monoclinic phase of U-6Nb. Upon heating at ambient and high pressures, the metastable α″ U-6Nb exhibits complex transformation paths leading to the diffusional phase decomposition, which are sensitive to applied pressure, stress state, and temperature-time path. These findings provide new insight into the behavior of atypical systems such as U-Nb and suggest that the different U-Nb phases are separated by rather small energies and hence highly sensitive to compositional, thermal, and mechanical perturbations.

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

Dechant, Lawrence J.

Wave packet analysis provides a connection between linear small disturbance theory and subsequent nonlinear turbulent spot flow behavior. The traditional association between linear stability analysis and nonlinear wave form is developed via the method of stationary phase whereby asymptotic (simplified) mean flow solutions are used to estimate dispersion behavior and stationary phase approximation are used to invert the associated Fourier transform. The resulting process typically requires nonlinear algebraic equations inversions that can be best performed numerically, which partially mitigates the value of the approximation as compared to a more complete, e.g. DNS or linear/nonlinear adjoint methods. To obtain a simpler,more » closed-form analytical result, the complete packet solution is modeled via approximate amplitude (linear convected kinematic wave initial value problem) and local sinusoidal (wave equation) expressions. Significantly, the initial value for the kinematic wave transport expression follows from a separable variable coefficient approximation to the linearized pressure fluctuation Poisson expression. The resulting amplitude solution, while approximate in nature, nonetheless, appears to mimic many of the global features, e.g. transitional flow intermittency and pressure fluctuation magnitude behavior. A low wave number wave packet models also recover meaningful auto-correlation and low frequency spectral behaviors.« less

Effect of W Contents on Martensitic Transformation and Shape Memory Effect in Co-Al-W Alloys

NASA Astrophysics Data System (ADS)

Yang, X.; Qian, B. N.; Peng, H. B.; Wu, B. J.; Wen, Y. H.

2018-04-01

To clarify the effect of W contents on the shape memory effect (SME) in the Co-Al alloys and its influencing mechanism, the SME, martensitic transformation, and deformation behavior were studied in the Co-7Al-xW ( x = 0, 4, 6, 9 wt pct) alloys. The results showed that the additions of W all deteriorated the SME in Co-7Al alloy when deformed at room temperature. However, when deformed in liquid nitrogen, the SME in Co-7Al alloy could be remarkably improved from 43 to 78 pct after the addition of 4 pct W, above which the SME decreased rapidly with the increase of W content although the yield strength of the parent phase rose due to the solution strengthening of W. The deterioration in SME induced by the excessive addition of W could be ascribed to its resulting significant drop of the start temperature of martensitic transformation.

Evaporation Behavior and Characterization of Eutectic Solvent and Ibuprofen Eutectic Solution.

PubMed

Phaechamud, Thawatchai; Tuntarawongsa, Sarun; Charoensuksai, Purin

2016-10-01

Liquid eutectic system of menthol and camphor has been reported as solvent and co-solvent for some drug delivery systems. However, surprisingly, the phase diagram of menthol-camphor eutectic has not been reported previously. The evaporation behavior, physicochemical, and thermal properties of this liquid eutectic and ibuprofen eutectic solution were characterized in this study. Differential scanning calorimetry (DSC) analysis indicated that a eutectic point of this system was near to 1:1 menthol/camphor and its eutectic temperature was -1°C. The solubility of ibuprofen in this eutectic was 282.11 ± 6.67 mg mL(-1) and increased the drug aqueous solubility fourfold. The shift of wave number from Fourier transform infrared spectroscopy (FTIR) indicated the hydrogen bonding of each compound in eutectic mixture. The weight loss from thermogravimetric analysis of menthol and camphor related to the evaporation and sublimation, respectively. Menthol demonstrated a lower apparent sublimation rate than camphor, and the evaporation rate of eutectic solvent was lower than the sublimation rate of camphor but higher than the evaporation of menthol. The evaporation rate of the ibuprofen eutectic solution was lower than that of the eutectic solvent because ibuprofen did not sublimate. This eutectic solvent prolonged the ibuprofen release with diffusion control. Thus, the beneficial information for thermal behavior and related properties of eutectic solvent comprising menthol-camphor and ibuprofen eutectic solution was attained successfully. The rather low evaporation of eutectic mixture will be beneficial for investigation and tracking the mechanism of transformation from nanoemulsion into nanosuspension in the further study using eutectic as oil phase.

In situ crystallization and transformation kinetics of polymorphic forms of saturated-unsaturated-unsaturated triacylglycerols: 1-palmitoyl-2,3-dioleoyl glycerol, 1-stearoyl-2,3-dioleoyl glycerol, and 1-palmitoyl-2-oleoyl-3-linoleoyl glycerol.

PubMed

Bayés-García, L; Calvet, T; Cuevas-Diarte, M A; Ueno, S

2016-07-01

We examined the influence of dynamic thermal treatment (variation of cooling/heating rates) on the polymorphic crystallization and transformation pathways of 1-palmitoyl-2,3-dioleoyl glycerol (POO), 1-stearoyl-2,3-dioleoyl glycerol (SOO), and 1-palmitoyl-2-oleoyl-3-linoleoyl glycerol (POL), which are major saturated-unsaturated-unsaturated (SUU) triacylglycerols (TAGs) of vegetable oils and animal fats (e.g., palm oil, olive oil, and Iberian ham fat). Using mainly a combination of differential scanning calorimetry (DSC) and synchrotron radiation X-ray diffraction (SR-XRD), we analyzed the polymorphic behavior of TAGs when high (15°Cmin -1 ), intermediate (2°Cmin -1 ), and low (0.5°Cmin -1 ) cooling and heating rates were applied. Multiple polymorphic forms were detected in POO, SOO, and POL (sub-α, α, β' 2 , and β' 1 ). Transient disordered phases, defined as kinetic liquid crystal (KLC) phases, were determined in POO and SOO for the first time. The results demonstrated that more stable forms were directly obtained from the melt by decreasing the cooling rates, whereas less stable forms predominated at high cooling rates, as confirmed in our previous work. Regarding heating rate variation, we confirmed that the nature of the polymorphic transformations observed (solid-state, transformation through KLC phase, or melt-mediation) depended largely on the heating rate. These results were discussed considering the activation energies involved in each process and compared with previous studies on TAGs with different saturated-unsaturated structures (1,3-dioleoyl-2-palmitoylglycerol, 1,3-dipalmitoyl-2-oleoyl-glycerol, trioleoyl glycerol, and 1,2-dioleoyl-3-linoleoyl glycerol). Copyright © 2016 Elsevier Ltd. All rights reserved.

Structure and thermal expansion of Lu 2O 3 and Yb 2O 3 up to the melting points

DOE PAGES

Pavlik, Alfred; Ushakov, Sergey V.; Navrotsky, Alexandra; ...

2017-08-24

Knowledge of thermal expansion and high temperature phase transformations is essential for prediction and interpretation of materials behavior under the extreme conditions of high temperature and intense radiation encountered in nuclear reactors. We studied the structure and thermal expansion of Lu 2O 3 and Yb 2O 3 were studied in oxygen and argon atmospheres up to their melting temperatures using synchrotron X-ray diffraction on laser heated levitated samples. Both oxides retained the cubic bixbyite C-type structure in oxygen and argon to melting. In contrast to fluorite-type structures, the increase in the unit cell parameter of Yb 2O 3 and Lumore » 2O 33 with temperature is linear within experimental error from room temperature to the melting point, with mean thermal expansion coefficients (8.5 ± 0.6) · 10 -6 K -1 and (7.7 ± 0.6) · 10 -6 K -1, respectively. There is no indication of a superionic (Bredig) transition in the C-type structure or of a previously suggested Yb 2O 3 phase transformation to hexagonal phase prior to melting.« less

Structure and thermal expansion of Lu 2O 3 and Yb 2O 3 up to the melting points

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

Pavlik, Alfred; Ushakov, Sergey V.; Navrotsky, Alexandra

Knowledge of thermal expansion and high temperature phase transformations is essential for prediction and interpretation of materials behavior under the extreme conditions of high temperature and intense radiation encountered in nuclear reactors. We studied the structure and thermal expansion of Lu 2O 3 and Yb 2O 3 were studied in oxygen and argon atmospheres up to their melting temperatures using synchrotron X-ray diffraction on laser heated levitated samples. Both oxides retained the cubic bixbyite C-type structure in oxygen and argon to melting. In contrast to fluorite-type structures, the increase in the unit cell parameter of Yb 2O 3 and Lumore » 2O 33 with temperature is linear within experimental error from room temperature to the melting point, with mean thermal expansion coefficients (8.5 ± 0.6) · 10 -6 K -1 and (7.7 ± 0.6) · 10 -6 K -1, respectively. There is no indication of a superionic (Bredig) transition in the C-type structure or of a previously suggested Yb 2O 3 phase transformation to hexagonal phase prior to melting.« less

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

Liu, Xiaonan; Lin, Kun; Gao, Qilong

As one class of the most important intermetallic compounds, the binary Laves-phase is well-known for their abundant magnetic properties. Samarium-iron alloy system, SmFe 2, is a prototypical Laves compound that shows strong negative magnetostriction but relatively weak magnetocrystalline anisotropy. SmFe 2 has been identified as a cubic Fdmore » $$ \\overline{3}\\ $$m structure at room temperature, however, the cubic symmetry does not match the spontaneous magnetization along the [111] cubic direction. Here we studied the crystal structure of SmFe 2 by high-resolution synchrotron X-ray powder diffraction and X-ray total scattering methods. SmFe 2 is found to adopt a centrosymmetric trigonal R$$ \\overline{3}\\ $$m structure at room temperature, which transforms to an orthorhombic Imma structure at 200 K. This transition is in agreement with the changes of easy magnetization direction from [111] cubic to [110] cubic direction, and is further evidenced by the inflexion of thermal expansion behavior, the sharp decline of the magnetic susceptibility in the FC-ZFC curve, and the anomaly in the specific heat capacity measurement. The revised structure and phase transformation of SmFe 2 could be useful to understand the magnetostriction and related physical properties of other RM 2-type pseudo-cubic Laves-phase intermetallic compounds.« less

Kinetics of struvite to newberyite transformation in the precipitation system MgCl2-NH4H2PO4NaOH-H2O.

PubMed

Babić-Ivancić, Vesna; Kontrec, Jasminka; Brecević, Ljerka; Kralj, Damir

2006-10-01

The influence of the initial reactant concentrations on the composition of the solid phases formed in the precipitation system MgCl(2)-NH(4)H(2)PO(4)-NaOH-H(2)O was investigated. The precipitation diagram constructed shows the approximate concentration regions within which struvite, newberyite, and their mixtures exist at 25 degrees C and an aging time of 60 min. It was found that immediately after mixing the reactant solutions, struvite (MgNH(4)PO(4).6H(2)O) precipitated in nearly the whole concentration area, while newberyite (MgHPO(4).3H(2)O) appeared mostly within the region of the excess of magnesium concentration. It was also found that after aging time of 60 min the precipitation domain of struvite alone is much broader than that of newberyite or the domain of their coexistence, and shows that struvite is more abundant in the systems in which the initial concentration of ammonium phosphate is higher than that of magnesium. The kinetics of struvite to newberyite transformation (conversion) was systematically studied under the conditions of different initial reactant concentrations and different initial pH in the systems in which a mixture of both phases precipitated spontaneously. The struvite to newberyite conversion period was found to be strongly related to the ratio of initial supersaturations, S(N)/S(S), rather than to the any particular physical quantity that can describe and predict the behavior of the precipitation system. Experimental data suggest a solution-mediated process as a most possible transformation mechanism. Along with a continuous monitoring of the changes in the liquid phase, the content of struvite in the solid phase was estimated by means of a Fourier transform infrared (FT-IR) method, developed for this particular precipitation system.

Simulation Kinetics of Austenitic Phase Transformation in Ti+Nb Stabilized IF and Microalloyed Steels

NASA Astrophysics Data System (ADS)

Ghosh, Sumit; Dasharath, S. M.; Mula, Suhrit

2018-05-01

In the present study, the influence of cooling rates (low to ultrafast) on diffusion controlled and displacive transformation of Ti-Nb IF and microalloyed steels has been thoroughly investigated. Mechanisms of nucleation and formation of non-equiaxed ferrite morphologies (i.e., acicular ferrite and bainitic ferrite) have been analyzed in details. The continuous cooling transformation behavior has been studied in a thermomechanical simulator (Gleeble 3800) using the cooling rates of 1-150 °C/s. On the basis of the dilatometric analysis of each cooling rate, continuous cooling transformation (CCT) diagrams have been constructed for both the steels to correlate the microstructural features at each cooling rate in different critical zones. In the case of the IF steel, massive ferrite grains along with granular bainite structures have been developed at cooling rates > 120 °C/s. On the other hand, a mixture of lath bainitic and lath martensite structures has been formed at a cooling rate of 80 °C/s in the microalloyed steel. A strong dependence of the cooling rates and C content on the microstructures and mechanical properties has been established. The steel samples that were fast cooled to a mixture of bainite ferrite and martensite showed a significant improvement of impact toughness and hardness (157 J, for IF steel and 174 J for microalloyed steel) as compared to that of the as-received specimens (133 J for IF steel and 116 J for microalloyed steel). Thus, it can be concluded that the hardness and impact toughness properties are correlated well with the microstructural constituents as indicated by the CCT diagram. Transformation mechanisms and kinetics of austenitic transformation to different phase morphologies at various cooling rates have been discussed in details to correlate microstructural evolution and mechanical properties.

Simulation Kinetics of Austenitic Phase Transformation in Ti+Nb Stabilized IF and Microalloyed Steels

NASA Astrophysics Data System (ADS)

Ghosh, Sumit; Dasharath, S. M.; Mula, Suhrit

2018-04-01

In the present study, the influence of cooling rates (low to ultrafast) on diffusion controlled and displacive transformation of Ti-Nb IF and microalloyed steels has been thoroughly investigated. Mechanisms of nucleation and formation of non-equiaxed ferrite morphologies (i.e., acicular ferrite and bainitic ferrite) have been analyzed in details. The continuous cooling transformation behavior has been studied in a thermomechanical simulator (Gleeble 3800) using the cooling rates of 1-150 °C/s. On the basis of the dilatometric analysis of each cooling rate, continuous cooling transformation (CCT) diagrams have been constructed for both the steels to correlate the microstructural features at each cooling rate in different critical zones. In the case of the IF steel, massive ferrite grains along with granular bainite structures have been developed at cooling rates > 120 °C/s. On the other hand, a mixture of lath bainitic and lath martensite structures has been formed at a cooling rate of 80 °C/s in the microalloyed steel. A strong dependence of the cooling rates and C content on the microstructures and mechanical properties has been established. The steel samples that were fast cooled to a mixture of bainite ferrite and martensite showed a significant improvement of impact toughness and hardness (157 J, for IF steel and 174 J for microalloyed steel) as compared to that of the as-received specimens (133 J for IF steel and 116 J for microalloyed steel). Thus, it can be concluded that the hardness and impact toughness properties are correlated well with the microstructural constituents as indicated by the CCT diagram. Transformation mechanisms and kinetics of austenitic transformation to different phase morphologies at various cooling rates have been discussed in details to correlate microstructural evolution and mechanical properties.

Modeling and simulation, and their validation of three-phase transformers with three legs under DC bias

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

Fuchs, E.F.; You, Y.; Roesler, D.J.

This paper proposes a new model for three-phase transformers with three legs with and without tank under DC bias based on electric and magnetic circuit theory. For the calculation of the nonsinusoidal no-load currents, a combination of time and frequency domains is used. The analysis shows that (1) asymmetric three-phase transformers with three legs generate magnetizing currents with triplen harmonics not being of the zero-sequence type. (2) The wave shapes of the three magnetizing currents of (asymmetric) transformers are dependent on the phase sequence. (3) The magnetic history of transformer magnetization -- due to residual magnetization and hysteresis of themore » tank -- cannot be ignored if a DC bias is present and the magnetic influence of the tank is relatively strong, e.g., for oil-cooled transformers. (4) Symmetric three-phase transformers with three legs generate no-load currents without triplen harmonics. (5) The effects of DC bias currents (e.g., reactive power demand, harmonic distortion) can be suppressed employing symmetric three-phase transformers with three legs including tank. Measurements corroborate computational results; thus this nonlinear model is valid and accurate.« less

Thermal phase transition behavior of lipid layers on a single human corneocyte cell.

PubMed

Imai, Tomohiro; Nakazawa, Hiromitsu; Kato, Satoru

2013-09-01

We have improved the selected area electron diffraction method to analyze the dynamic structural change in a single corneocyte cell non-invasively stripped off from human skin surface. The improved method made it possible to obtain reliable diffraction images to trace the structural change in the intercellular lipid layers on a single corneocyte cell during heating from 24°C to 100°C. Comparison of the results with those of synchrotron X-ray diffraction experiments on human stratum corneum sheets revealed that the intercellular lipid layers on a corneocyte cell exhibit essentially the same thermal phase transitions as those in a stratum corneum sheet. These results suggest that the structural features of the lipid layers are well preserved after the mechanical stripping of the corneocyte cell. Moreover, electron diffraction analyses of the thermal phase transition behaviors of the corneocyte cells that had the lipid layers with different distributions of orthorhombic and hexagonal domains at 24°C suggested that small orthorhombic domains interconnected with surrounding hexagonal domains transforms in a continuous manner into new hexagonal domains. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

In operando neutron diffraction study of the temperature and current rate-dependent phase evolution of LiFePO4 in a commercial battery

NASA Astrophysics Data System (ADS)

Sharma, N.; Yu, D. H.; Zhu, Y.; Wu, Y.; Peterson, V. K.

2017-02-01

In operando NPD data of electrodes in lithium-ion batteries reveal unusual LiFePO4 phase evolution after the application of a thermal step and at high current. At low current under ambient conditions the LiFePO4 to FePO4 two-phase reaction occurs during the charge process, however, following a thermal step and at higher current this reaction appears at the end of charge and continues into the next electrochemical step. The same behavior is observed for the FePO4 to LiFePO4 transition, occurring at the end of discharge and continuing into the following electrochemical step. This suggests that the bulk (or the majority of the) electrode transformation is dependent on the battery's history, current, or temperature. Such information concerning the non-equilibrium evolution of an electrode allows a direct link between the electrode's functional mechanism that underpins lithium-ion battery behavior and the real-life operating conditions of the battery, such as variable temperature and current, to be made.

Probing molecular interactions of poly(styrene-co-maleic acid) with lipid matrix models to interpret the therapeutic potential of the co-polymer.

PubMed

Banerjee, Shubhadeep; Pal, Tapan K; Guha, Sujoy K

2012-03-01

To understand and maximize the therapeutic potential of poly(styrene-co-maleic acid) (SMA), a synthetic, pharmacologically-active co-polymer, its effect on conformation, phase behavior and stability of lipid matrix models of cell membranes were investigated. The modes of interaction between SMA and lipid molecules were also studied. While, attenuated total reflection-Fourier-transform infrared (ATR-FTIR) and static (31)P nuclear magnetic resonance (NMR) experiments detected SMA-induced conformational changes in the headgroup region, differential scanning calorimetry (DSC) studies revealed thermotropic phase behavior changes of the membranes. (1)H NMR results indicated weak immobilization of SMA within the bilayers. Molecular interpretation of the results indicated the role of hydrogen-bond formation and hydrophobic forces between SMA and zwitterionic phospholipid bilayers. The extent of membrane fluidization and generation of isotropic phases were affected by the surface charge of the liposomes, and hence suggested the role of electrostatic interactions between SMA and charged lipid headgroups. SMA was thus found to directly affect the structural integrity of model membranes. Copyright © 2011 Elsevier B.V. All rights reserved.

Resistivity changes of some amorphous alloys undergoing nanocrystallization

NASA Astrophysics Data System (ADS)

Barandiarán, J. M.; Fernández Barquín, L.; Sal, J. C. Gómez; Gorría, P.; Hernando, A.

1993-10-01

The electrical resistivity of amorphous alloys with compositions: Fe 73.5Nb 3Cu 1Si 13.5B 9, Fe 86Zr 7Cu 1B 6 and Co 80Nb 8B 12 has been studied in the temperature range from 300 to 1100 K, where crystallization occurs. The products of crystallization and the grain size have been studied by X-ray diffraction. In a first step, all the alloys crystallize with small grains of a few nanometers in diameter (nanocrystalline state), and the resistivity behavior at this process accounts for the difference between the amorphous and nanocrystalline phases. The nanocrystalline phases are: α-Fe-Si, α-Fe and fcc Co for the three compounds studied respectively. A second process, at which grain growth and precipitation of intermetallic compounds and borides takes place, has been found for all the alloys. The resistivity is sensitive, not only to the total transformed sample amount, but to the topological distribution of the crystalline phases, and therefore shows a more complex behavior than other well established techniques, as differential scanning calorimetry. This supplementary information given by the resistivity is also discussed.

Room-Temperature Deformation and Martensitic Transformation of Two Co-Cr-Based Alloys

NASA Astrophysics Data System (ADS)

Cai, S.; Schaffer, J. E.; Huang, D.; Gao, J.; Ren, Y.

2018-05-01

Deformation of two Co-Cr alloys was studied by in situ synchrotron X-ray diffraction. Both alloys show stress-induced martensite transformation, which is affected by phase stabilities and transformation strains. Crystal structure of WC in Co-20Cr-15W-10Ni is identified. Compared with other phases present, it is elastically isotropic, exhibits high strength, and can elastically withstand strains exceeding 1 pct. Texture change during phase transformation is explained based on the crystal orientation relationship between γ- and ɛ-phases.

Room-Temperature Deformation and Martensitic Transformation of Two Co-Cr-Based Alloys

NASA Astrophysics Data System (ADS)

Cai, S.; Schaffer, J. E.; Huang, D.; Gao, J.; Ren, Y.

2018-07-01

Deformation of two Co-Cr alloys was studied by in situ synchrotron X-ray diffraction. Both alloys show stress-induced martensite transformation, which is affected by phase stabilities and transformation strains. Crystal structure of WC in Co-20Cr-15W-10Ni is identified. Compared with other phases present, it is elastically isotropic, exhibits high strength, and can elastically withstand strains exceeding 1 pct. Texture change during phase transformation is explained based on the crystal orientation relationship between γ- and ɛ-phases.

Semiconductor Clathrates: In Situ Studies of Their High Pressure, Variable Temperature and Synthesis Behavior

NASA Astrophysics Data System (ADS)

Machon, D.; McMillan, P. F.; San-Miguel, A.; Barnes, P.; Hutchins, P. T.

In situ studies have provided valuable new information on the synthesis mechanisms, low temperature properties and high pressure behavior of semiconductor clathrates. Here we review work using synchrotron and laboratory X-ray diffraction and Raman scattering used to study mainly Si-based clathrates under a variety of conditions. During synthesis of the Type I clathrate Na8Si46 by metastable thermal decomposition from NaSi in vacuum, we observe an unusual quasi-epitaxial process where the clathrate structure appears to nucleate and grow directly from the Na-deficient Zintl phase surface. Low temperature X-ray studies of the guest-free Type II clathrate framework Si136 reveal a region of negative thermal expansion behavior as predicted theoretically and analogous to that observed for diamond-structured Si. High pressure studies of Si136 lead to metastable production of the β-Sn structured Si-II phase as well as perhaps other metastable crystalline materials. High pressure investigations of Type I clathrates show evidence for a new class of apparently isostructural densification transformations followed by amorphization in certain cases.

On the Fracture Toughness and Stable Crack Growth in Shape Memory Alloys Under Combined Thermomechanical Loading

NASA Astrophysics Data System (ADS)

Jape, Sameer Sanjay

Advanced multifunctional materials such as shape memory alloys (SMAs) offer unprecedented improvement over conventional materials when utilized as high power output solid-state actuators in a plethora of engineering applications, viz. aerospace, automotive, oil and gas exploration, etc., replacing complex multi-component assemblies with compact single-piece adaptive components. These potential applications stem from the material's ability to produce large recoverable actuation strains when subjected to combined thermomechanical loads, via a diffusionless solid-to-solid phase transition between high-temperature cubic austenite and low-temperature monoclinic martensite crystalline phases. To ensure reliable design, functioning and durability of SMA-based actuators, it is imperative to develop a thorough scientific knowledge base and understanding about their fracture properties i.e. crack-initiation and growth during thermal actuation, vis-a-vis the phase transformation metrics (i.e. transformation strains, hysteresis, and temperatures, critical stresses for phase transformation, etc.) and microstructural features (grain size, precipitates, and texture). Systematic experimental and analytical investigation of SMA fracture response based on known theories and methodologies is posed with significant challenges due to the inherent complexity in SMA thermomechanical constitutive response arising out of the shape memory and pseudoelastic effects, martensite detwinning and variant reorientation, thermomechanical coupling, and transformation induced plasticity (TRIP). In this study, a numerical analysis is presented that addresses the fundamental need to study fracture in SMAs in the presence of aforementioned complexities. Finite element modeling with an energetics based fracture toughness criterion and SMA thermomechanical behavior with nonlinearities from thermomechanical coupling and TRIP was conducted. A specific analysis of a prototype boundary value fracture problem yielded results similar to those obtained experimentally, viz. stable crack growth with transformation toughening, dependence of failure cycle on bias load and catastrophic failure during cooling, and are explained using classical fracture mechanics theories. Influence of TRIP as a monotonically accumulating irrecoverable plastic strain on the crack-tip mechanical fields in case of stationary and advancing cracks is also investigated using the same computational tools. Thermomechanical coupling in shape memory alloys, which is an important factor when utilized as solid-state actuators manifests itself through the generation and absorption of latent of transformation and leads to non-uniform temperature distribution. The effect of this coupling vis-a-vis the mechanics of static and advancing cracks is also analyzed using the energetics based approach.

Dielectric properties and phase transition behaviors in (1-x)PbZrO3-xPb(Mg1/2W1/2)O3 ceramics

NASA Astrophysics Data System (ADS)

Vittayakorn, Naratip; Charoonsuk, Piyanut; Kasiansin, Panisara; Wirunchit, Supamas; Boonchom, Banjong

2009-09-01

The solid solution of lead zirconate [PbZrO3 (PZ)] and lead magnesium tungstate [Pb(Mg1/2W1/2)O3 (PMW)] has been synthesized by the wolframite precursor method. The crystal structure, phase transformations, dielectric and thermal properties of (1-x)PZ-xPMW, where x =0.00-0.10, were investigated. The crystal structure of sintered ceramics was analyzed by x-ray diffraction. Phase-pure perovskite was obtained for all compositions. Furthermore, a change from orthorhombic to rhombohedral symmetry was observed as the mole fraction of increased PMW. As a result, it was found that PbZrO3-Pb(Mg1/2W1/2)O3 undergoes successive transitions from the antiferroelectric phase to the ferroelectric phase to the paraelectric state. The coexistence of orthorhombic and rhombohedral phases in this binary system is located near the composition x =0.1.

Magnetic BiMn-α phase synthesis prediction: First-principles calculation, thermodynamic modeling and nonequilibrium chemical partitioning

DOE PAGES

Zhou, S. H.; Liu, C.; Yao, Y. X.; ...

2016-04-29

BiMn-α is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single BiMn-α phase. The objective of this study is to assess driving force for crystalline phase pathways under far-from-equilibrium conditions. First-principles calculations with Hubbard U correction are performed to provide a robust description of the thermodynamic behavior. The energetics associated with various degrees of the chemical partitioning are quantified to predict temperature, magnetic field, and time dependence of the phase selection. By assessing the phase transformation under the influence of the chemical partitioning, temperatures, and cooling rate from our calculations, we suggestmore » that it is possible to synthesize the magnetic BiMn-α compound in a congruent manner by rapid solidification. The external magnetic field enhances the stability of the BiMn-α phase. In conclusion, the compositions of the initial compounds from these highly driven liquids can be far from equilibrium.« less

Phase transition induced strain in ZnO under high pressure

DOE PAGES

Yan, Xiaozhi; Dong, Haini; Li, Yanchun; ...

2016-05-13

Under high pressure, the phase transition mechanism and mechanical property of material are supposed to be largely associated with the transformation induced elastic strain. However, the experimental evidences for such strain are scanty. The elastic and plastic properties of ZnO, a leading material for applications in chemical sensor, catalyst, and optical thin coatings, were determined using in situ high pressure synchrotron axial and radial x-ray diffraction. The abnormal elastic behaviors of selected lattice planes of ZnO during phase transition revealed the existence of internal elastic strain, which arise from the lattice misfit between wurtzite and rocksalt phase. Furthermore, the strengthmore » decrease of ZnO during phase transition under non-hydrostatic pressure was observed and could be attributed to such internal elastic strain, unveiling the relationship between pressure induced internal strain and mechanical property of material. Ultimately, these findings are of fundamental importance to understanding the mechanism of phase transition and the properties of materials under pressure.« less

Mossbauer and XRD characterization of the phase transformations in a Fe-Mn-Al-C-Mo-Si-Cu as cast alloy during tribology test

NASA Astrophysics Data System (ADS)

Ramos, J.; Piamba, J. F.; Sánchez, H.; Alcazar, G. A. Pérez

2015-06-01

In present study Fe-29.0Mn-6Al-0.9C-1.8Mo-1.6Si-0.4Cu (%w) alloy was obtained after melted in an induction furnace, and then molded as an ingot. From the as cast ingot it were cut samples for the different characterization measurements. The microstructure of the as-cast sample is of dendritic type and its XRD pattern was refined with the lines of the austenite, with a big volumetric fraction, and the lines of the martensite, with small volumetric fraction. The Mössbauer spectrum of the sample was fitted with a broad singlet which corresponds to disordered austenite. After the tribology test, its XRD pattern was refined with the lines of two austenite phases, one similar to the previous one and other with bigger lattice parameter. The total volumetric fraction of the austenite is smaller than that obtained for sample without wear. It was added the lines of the martensite phase with bigger volumetric fraction than that of the previous sample. The Mössbauer spectrum of the weared sample was fitted with two paramagnetic sites which correspond to the two Fe austenite phases and a hyperfine magnetic field distribution which is associated to the disordered original martensite and the new one which appears in the surface as a consequence of the wear process. These results show that during wear process the original austenite phase is transformed in martensite and in a new austenite phase. The increases of the martensitic phase improves mechanical properties and wear behavior.

Visualization of anisotropic-isotropic phase transformation dynamics in battery electrode particles

DOE PAGES

Wang, Jiajun; Karen Chen-Wiegart, Yu-chen; Eng, Christopher; ...

2016-08-12

Anisotropy, or alternatively, isotropy of phase transformations extensively exist in a number of solid-state materials, with performance depending on the three-dimensional transformation features. Fundamental insights into internal chemical phase evolution allow manipulating materials with desired functionalities, and can be developed via real-time multi-dimensional imaging methods. In this paper, we report a five-dimensional imaging method to track phase transformation as a function of charging time in individual lithium iron phosphate battery cathode particles during delithiation. The electrochemically driven phase transformation is initially anisotropic with a preferred boundary migration direction, but becomes isotropic as delithiation proceeds further. We also observe the expectedmore » two-phase coexistence throughout the entire charging process. Finally, we expect this five-dimensional imaging method to be broadly applicable to problems in energy, materials, environmental and life sciences.« less

Influence of carbon content on the copper-telluride phase formation and on the resistive switching behavior of carbon alloyed Cu-Te conductive bridge random access memory cells

NASA Astrophysics Data System (ADS)

Devulder, Wouter; Opsomer, Karl; Franquet, Alexis; Meersschaut, Johan; Belmonte, Attilio; Muller, Robert; De Schutter, Bob; Van Elshocht, Sven; Jurczak, Malgorzata; Goux, Ludovic; Detavernier, Christophe

2014-02-01

In this paper, we investigate the influence of the carbon content on the Cu-Te phase formation and on the resistive switching behavior in carbon alloyed Cu0.6Te0.4 based conductive bridge random access memory (CBRAM) cells. Carbon alloying of copper-tellurium inhibits the crystallization, while attractive switching behavior is preserved when using the material as Cu-supply layer in CBRAM cells. The phase formation is first investigated in a combinatorial way. With increasing carbon content, an enlargement of the temperature window in which the material stays amorphous was observed. Moreover, if crystalline phases are formed, subsequent phase transformations are inhibited. The electrical switching behavior of memory cells with different carbon contents is then investigated by implementing them in 580 μm diameter dot TiN/Cu0.6Te0.4-C/Al2O3/Si memory cells. Reliable switching behavior is observed for carbon contents up to 40 at. %, with a resistive window of more than 2 orders of magnitude, whereas for 50 at. % carbon, a higher current in the off state and only a small resistive window are present after repeated cycling. This degradation can be ascribed to the higher thermal and lower drift contribution to the reset operation due to a lower Cu affinity towards the supply layer, leading cycle-after-cycle to an increasing amount of Cu in the switching layer, which contributes to the current. The thermal diffusion of Cu into Al2O3 under annealing also gives an indication of the Cu affinity of the source layer. Time of flight secondary ion mass spectroscopy was used to investigate this migration depth in Al2O3 before and after annealing, showing a higher Cu, Te, and C migration for high carbon contents.

Role of immune system in tumor progression and carcinogenesis.

PubMed

Upadhyay, Shishir; Sharma, Nidhi; Gupta, Kunj Bihari; Dhiman, Monisha

2018-07-01

Tumor micro-environment has potential to customize the behavior of the immune cell according to their need. In immune-eliminating phase, immune cells eliminate transformed cells but after tumor establishment innate and adaptive immune cells synergistically provide shelter as well as fulfill their requirement that helps in progression. In between eliminating and establishment phase, equilibrium and escaping phase regulate the immune cells response. During immune-escaping, (1) the antigenic response generated is either inadequate, or focused entirely on tolerance, and (2) immune response generated is specific and effective, but the tumor skips immune recognition. In this review, we are discussing the critical role of immune cells and their cytokines before and after the establishment of tumor which might play a critical role during immunotherapy. © 2018 Wiley Periodicals, Inc.

Effect of Annealing Temperature on the Mechanical and Corrosion Behavior of a Newly Developed Novel Lean Duplex Stainless Steel.

PubMed

Guo, Yanjun; Hu, Jincheng; Li, Jin; Jiang, Laizhu; Liu, Tianwei; Wu, Yanping

2014-09-12

The effect of annealing temperature (1000-1150 °C) on the microstructure evolution, mechanical properties, and pitting corrosion behavior of a newly developed novel lean duplex stainless steel with 20.53Cr-3.45Mn-2.08Ni-0.17N-0.31Mo was studied by means of optical metallographic microscopy (OMM), scanning electron microscopy (SEM), magnetic force microscopy (MFM), scanning Kelvin probe force microscopy (SKPFM), energy dispersive X-ray spectroscopy (EDS), uniaxial tensile tests (UTT), and potentiostatic critical pitting temperature (CPT). The results showed that tensile and yield strength, as well as the pitting corrosion resistance, could be degraded with annealing temperature increasing from 1000 up to 1150 °C. Meanwhile, the elongation at break reached the maximum of 52.7% after annealing at 1050 °C due to the effect of martensite transformation induced plasticity (TRIP). The localized pitting attack preferentially occurred at ferrite phase, indicating that the ferrite phase had inferior pitting corrosion resistance as compared to the austenite phase. With increasing annealing temperature, the pitting resistance equivalent number (PREN) of ferrite phase dropped, while that of the austenite phase rose. Additionally, it was found that ferrite possessed a lower Volta potential than austenite phase. Moreover, the Volta potential difference between ferrite and austenite increased with the annealing temperature, which was well consistent with the difference of PREN.

Effect of Annealing Temperature on the Mechanical and Corrosion Behavior of a Newly Developed Novel Lean Duplex Stainless Steel

PubMed Central

Guo, Yanjun; Hu, Jincheng; Li, Jin; Jiang, Laizhu; Liu, Tianwei; Wu, Yanping

2014-01-01

The effect of annealing temperature (1000–1150 °C) on the microstructure evolution, mechanical properties, and pitting corrosion behavior of a newly developed novel lean duplex stainless steel with 20.53Cr-3.45Mn-2.08Ni-0.17N-0.31Mo was studied by means of optical metallographic microscopy (OMM), scanning electron microscopy (SEM), magnetic force microscopy (MFM), scanning Kelvin probe force microscopy (SKPFM), energy dispersive X-ray spectroscopy (EDS), uniaxial tensile tests (UTT), and potentiostatic critical pitting temperature (CPT). The results showed that tensile and yield strength, as well as the pitting corrosion resistance, could be degraded with annealing temperature increasing from 1000 up to 1150 °C. Meanwhile, the elongation at break reached the maximum of 52.7% after annealing at 1050 °C due to the effect of martensite transformation induced plasticity (TRIP). The localized pitting attack preferentially occurred at ferrite phase, indicating that the ferrite phase had inferior pitting corrosion resistance as compared to the austenite phase. With increasing annealing temperature, the pitting resistance equivalent number (PREN) of ferrite phase dropped, while that of the austenite phase rose. Additionally, it was found that ferrite possessed a lower Volta potential than austenite phase. Moreover, the Volta potential difference between ferrite and austenite increased with the annealing temperature, which was well consistent with the difference of PREN. PMID:28788201

The effect of air-abrasion and heat treatment on the fracture behavior of Y-TZP.

PubMed

Passos, Sheila P; Linke, Bernie; Major, Paul W; Nychka, John A

2015-09-01

This study evaluated how the flexural strength and fracture behavior of a zirconia-based ceramic (Y-TZP) were affected by pre- and post-sintering mechanical and thermal treatments. Treatments included sandblasting with different particle size and type (30μm SiO2; 50 and 110μm Al2O3) and thermal conditioning. Two hundred bar-shaped specimens of pre-sintered Y-TZP ceramic (Lava Frame, 3M) were prepared (specimen dimensions: 25mm length×4mm width×0.7mm thickness) and divided into three groups (before sintering, after sintering and after sintering with heating treatment). The before sintering group specimens were airborne-particle abraded prior to dense sintering. Specimens from the after sintering group were airborne-particle abraded after sintering. The after sintering with heating treatment group specimens were submitted to a heating procedure after airborne-particle abrasion. The controls were the specimens that were sintered and not treated with any conditioning procedures. The specimens from all experimental conditions were analyzed by SEM, CLSM and XRD. All specimens were tested in four-point bending. Data were statistically analyzed using one-way ANOVA and Post Hoc tests (α=0.05). A Weibull analysis was used to analyze the strength reliability. Sandblasting pre-sintered zirconia before sintering significantly decreased the flexural strength, except when the smallest blasting particles were used (30μm SiO2). Phase transformation (t-m) was observed after sandblasting and reverse transformation (m-t) was observed after heating. Sandblasting with 30μm SiO2 and 50μm Al2O3 allowed lower phase transformation. However, 30mm SiO2 presented better reliability. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Microstructure evolution characteristics induced by oxygen vacancy generation in anatase TiO2 based resistive switching devices

NASA Astrophysics Data System (ADS)

Liu, Chen; Gao, Bin; Huang, Peng; Kang, Jinfeng

2017-03-01

In this work, first principle calculations are employed to study the microstructure characteristics of the anatase TiO2 resistive switching material associated with the generation of oxygen vacancy (V o) based nanofilaments during the switching process. The calculations indicate that both the magnéli phase Ti4O7 and V o-defect phase of anatase TiO2 may be formed with the generation of oxygen vacancies during the forming and SET processes. Based on the calculations, a new physical insight is proposed to clarify the microstructure evolution characteristics of the anatase TiO2 resistive switching material and the correlation with resistive switching behaviors. During the forming or SET process, the anatase TiO2 is first excited to a transition state with the generation of oxygen vacancies, then fully relaxes to a stable V o-defect state. This V o-defect state may either recover to the original state with the recombination of the oxygen vacancies, which causes the reversible resistive switching behavior, or further transform to a much more stable state—the magnéli phase Ti4O7, through a phase transition process with the generation of many more oxygen vacancies. The phase transition from V o- defective anatase phase to magnéli phase Ti4O7 causes the failure of the resistive switching due to the significantly reduced possibility of the reversible phase transition from the magnéli phase to the anatase phase, compared with the possibility of the recombination from the V o-defective anatase.

Comparison between thermochemical and phase stability data for the quartz-coesite-stishovite transformations

NASA Technical Reports Server (NTRS)

Weaver, J. S.; Chipman, D. W.; Takahashi, T.

1979-01-01

Phase stability and elasticity data have been used to calculate the Gibbs free energy, enthalpy, and entropy changes at 298 K and 1 bar associated with the quartz-coesite and coesite-stishovite transformations in the system SiO2. For the quartz-coesite transformation, these changes disagree by a factor of two or three with those obtained by calorimetric techniques. The phase boundary for this transformation appears to be well determined by experiment; the discrepancy, therefore, suggests that the calorimetric data for coesite are in error. Although the calorimetric and phase stability data for the coesite-stishovite transformation yield the same transition pressure at 298 K, the phase-boundary slopes disagree by a factor of two. At present, it is not possible to determine which of the data are in error. Thus serious inconsistencies exist in the thermodynamic data for the polymorphic transformations of silica.

Numerical simulation of pseudoelastic shape memory alloys using the large time increment method

NASA Astrophysics Data System (ADS)

Gu, Xiaojun; Zhang, Weihong; Zaki, Wael; Moumni, Ziad

2017-04-01

The paper presents a numerical implementation of the large time increment (LATIN) method for the simulation of shape memory alloys (SMAs) in the pseudoelastic range. The method was initially proposed as an alternative to the conventional incremental approach for the integration of nonlinear constitutive models. It is adapted here for the simulation of pseudoelastic SMA behavior using the Zaki-Moumni model and is shown to be especially useful in situations where the phase transformation process presents little or lack of hardening. In these situations, a slight stress variation in a load increment can result in large variations of strain and local state variables, which may lead to difficulties in numerical convergence. In contrast to the conventional incremental method, the LATIN method solve the global equilibrium and local consistency conditions sequentially for the entire loading path. The achieved solution must satisfy the conditions of static and kinematic admissibility and consistency simultaneously after several iterations. 3D numerical implementation is accomplished using an implicit algorithm and is then used for finite element simulation using the software Abaqus. Computational tests demonstrate the ability of this approach to simulate SMAs presenting flat phase transformation plateaus and subjected to complex loading cases, such as the quasi-static behavior of a stent structure. Some numerical results are contrasted to those obtained using step-by-step incremental integration.

Benefits of transformational behaviors for leaders: A daily investigation of leader behaviors and need fulfillment.

PubMed

Lanaj, Klodiana; Johnson, Russell E; Lee, Stephanie M

2016-02-01

Although a large body of work has examined the benefits of transformational leadership, this work has predominantly focused on recipients of such behaviors. Recent research and theory, however, suggest that there are also benefits for those performing behaviors reflective of transformational leadership. Across 2 experience-sampling studies, we investigate the effects of such behaviors on actors' daily affective states. Drawing from affective events theory and self-determination theory we hypothesize and find that engaging in behaviors reflective of transformational leadership is associated with improvement in actors' daily affect, more so than engaging in behaviors reflective of transactional, consideration, initiating structure, and participative leadership. Behaviors reflective of transformational leadership improved actors' affect in part by fulfilling their daily needs. Furthermore, extraversion and neuroticism moderated these effects such that extraverts benefitted less whereas neurotics benefitted more from these behaviors in terms of affective changes. We consider the theoretical and practical implications of these findings and offer directions for future research. (c) 2016 APA, all rights reserved).

M3FT-15OR0202212: SUBMIT SUMMARY REPORT ON THERMODYNAMIC EXPERIMENT AND MODELING

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

McMurray, Jake W.; Brese, Robert G.; Silva, Chinthaka M.

2015-09-01

Modeling the behavior of nuclear fuel with a physics-based approach uses thermodynamics for key inputs such as chemical potentials and thermal properties for phase transformation, microstructure evolution, and continuum transport simulations. Many of the lanthanide (Ln) elements and Y are high-yield fission products. The U-Y-O and U-Ln-O ternaries are therefore key subsystems of multi-component high-burnup fuel. These elements dissolve in the dominant urania fluorite phase affecting many of its properties. This work reports on an effort to assess the thermodynamics of the U-Pr-O and U-Y-O systems using the CALPHAD (CALculation of PHase Diagrams) method. The models developed within this frameworkmore » are capable of being combined and extended to include additional actinides and fission products allowing calculation of the phase equilibria, thermochemical and material properties of multicomponent fuel with burnup.« less

Bistable collective behavior of polymers tethered in a nanopore

NASA Astrophysics Data System (ADS)

Osmanovic, Dino; Bailey, Joe; Harker, Anthony H.; Fassati, Ariberto; Hoogenboom, Bart W.; Ford, Ian J.

2012-06-01

Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport and in a number of biomimetic and nanotechnological applications. Here we present Monte Carlo and Density Functional Theory approaches to identify different collective phases of end-grafted polymers in a nanopore and to study their relative stability as a function of intermolecular interactions. Over a range of system parameters that is relevant for nuclear pore complexes, we observe two distinct phases: one with the bulk of the polymers condensed at the wall of the pore, and the other with the polymers condensed along its central axis. The relative stability of these two phases depends on the interpolymer interactions. The existence the two phases suggests a mechanism in which marginal changes in these interactions, possibly induced by nuclear transport receptors, cause the pore to transform between open and closed configurations, which will influence transport through the pore.

Electron microscopy observation of TiO2 nanocrystal evolution in high-temperature atomic layer deposition.

PubMed

Shi, Jian; Li, Zhaodong; Kvit, Alexander; Krylyuk, Sergiy; Davydov, Albert V; Wang, Xudong

2013-01-01

Understanding the evolution of amorphous and crystalline phases during atomic layer deposition (ALD) is essential for creating high quality dielectrics, multifunctional films/coatings, and predictable surface functionalization. Through comprehensive atomistic electron microscopy study of ALD TiO2 nanostructures at designed growth cycles, we revealed the transformation process and sequence of atom arrangement during TiO2 ALD growth. Evolution of TiO2 nanostructures in ALD was found following a path from amorphous layers to amorphous particles to metastable crystallites and ultimately to stable crystalline forms. Such a phase evolution is a manifestation of the Ostwald-Lussac Law, which governs the advent sequence and amount ratio of different phases in high-temperature TiO2 ALD nanostructures. The amorphous-crystalline mixture also enables a unique anisotropic crystal growth behavior at high temperature forming TiO2 nanorods via the principle of vapor-phase oriented attachment.

Design of electromagnetic refractor and phase transformer using coordinate transformation theory.

PubMed

Lin, Lan; Wang, Wei; Cui, Jianhua; Du, Chunlei; Luo, Xiangang

2008-05-12

We designed an electromagnetic refractor and a phase transformer using form-invariant coordinate transformation of Maxwell's equations. The propagation direction of electromagnetic energy in these devices can be modulated as desired. Unlike the conventional dielectric refractor, electromagnetic fields at our refraction boundary do not conform to the Snell's law in isotropic materials and the impedance at this boundary is matched which makes the reflection extremely low; and the transformation of the wave front from cylindrical to plane can be realized in the phase transformer with a slab structure. Two dimensional finite-element simulations were performed to confirm the theoretical results.

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

Devaraj, Arun; Jana, Saumyadeep; McInnis, Colleen A.

During eutectoid transformation of U-10Mo alloy, uniform metastable γ UMo phase is expected to transform to a mixture of α-U and γ’-U 2Mo phase. The presence of transformation products in final U-10Mo fuel, especially the α phase is considered detrimental for fuel irradiation performance, so it is critical to accurately evaluate the extent of transformation in the final U-10Mo alloy. This phase transformation can cause a volume change that induces a density change in final alloy. To understand this density and volume change, we developed a theoretical model to calculate the volume expansion and resultant density change of U-10Mo alloymore » as a function of the extent of eutectoid transformation. Based on the theoretically calculated density change for 0 to 100% transformation, we conclude that an experimental density measurement system will be challenging to employ to reliably detect and quantify the extent of transformation. Subsequently, to assess the ability of various methods to detect the transformation in U-10Mo, we annealed U-10Mo alloy samples at 500°C for various times to achieve in low, medium, and high extent of transformation. After the heat treatment at 500°C, the samples were metallographically polished and subjected to optical microscopy and x-ray diffraction (XRD) methods. Based on our assessment, optical microscopy and image processing can be used to determine the transformed area fraction, which can then be correlated with the α phase volume fraction measured by XRD analysis. XRD analysis of U-10Mo aged at 500°C detected only α phase and no γ’ was detected. To further validate the XRD results, atom probe tomography (APT) was used to understand the composition of transformed regions in U-10Mo alloys aged at 500°C for 10 hours. Based on the APT results, the lamellar transformation product was found to comprise α phase with close to 0 at% Mo and γ phase with 28–32 at% Mo, and the Mo concentration was highest at the α/γ interface.« less

Martensitelike spontaneous relaxor-normal ferroelectric transformation in Pb(Zn1/3Nb2/3)O3-PbLa(ZrTi)O3 system

NASA Astrophysics Data System (ADS)

Deng, Guochu; Ding, Aili; Li, Guorong; Zheng, Xinsen; Cheng, Wenxiu; Qiu, Pingsun; Yin, Qingrui

2005-11-01

The spontaneous relaxor-normal ferroelectric transformation was found in the tetragonal composition of Pb(Zn1/3Nb2/3)O3-PbLa(ZrTi)O3 (0.3PZN-0.7PLZT) complex ABO3 system. The corresponding dielectric permittivities and losses of different compositions located near the morphotrophic phase boundary were analyzed. By reviewing all of the results about this type of transformation in previous references, the electric, compositional, structural, and thermodynamic characteristics of the spontaneous relaxor-normal transformation were proposed. Additionally, the adaptive phase model for martensite transformation proposed by Khachaturyan et al. [Phys. Rev. B 43, 10832 (1991)] was introduced into this ferroelectric transformation to explain the unique transformation pathway and associated features such as the tweedlike domain patterns and the dielectric dispersion under the critical transition temperature. Due to the critical compositions near the MPB, the ferroelectric materials just fulfill the condition, in which the adaptive phases can form in the transformation procedure. The formation of the adaptive phases, which are composed of stress-accommodating twinned domains, makes the system bypass the energy barrier encountered in conventional martensite transformations. The twinned adaptive phase corresponds to the tweedlike domain pattern under a transmission electronic microscope. At lower temperature, these precursor phases transform into the conventional ferroelectric state with macrodomains by the movement of domain walls, which causes a weak dispersion in dielectric permittivity.

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

Phase Behaviour and Miscibility Studies of Collagen/Silk Fibroin Macromolecular System in Dilute Solutions and Solid State.

PubMed

Ghaeli, Ima; de Moraes, Mariana A; Beppu, Marisa M; Lewandowska, Katarzyna; Sionkowska, Alina; Ferreira-da-Silva, Frederico; Ferraz, Maria P; Monteiro, Fernando J

2017-08-18

Miscibility is an important issue in biopolymer blends for analysis of the behavior of polymer pairs through the detection of phase separation and improvement of the mechanical and physical properties of the blend. This study presents the formulation of a stable and one-phase mixture of collagen and regenerated silk fibroin (RSF), with the highest miscibility ratio between these two macromolecules, through inducing electrostatic interactions, using salt ions. For this aim, a ternary phase diagram was experimentally built for the mixtures, based on observations of phase behavior of blend solutions with various ratios. The miscibility behavior of the blend solutions in the miscible zones of the phase diagram was confirmed quantitatively by viscosimetric measurements. Assessing the effects of biopolymer mixing ratio and salt ions, before and after dialysis of blend solutions, revealed the importance of ion-specific interactions in the formation of coacervate-based materials containing collagen and RSF blends that can be used in pharmaceutical, drug delivery, and biomedical applications. Moreover, the conformational change of silk fibroin from random coil to beta sheet, in solution and in the final solid films, was detected by circular dichroism (CD) and Fourier transform infrared spectroscopy (FTIR), respectively. Scanning electron microscopy (SEM) exhibited alterations of surface morphology for the biocomposite films with different ratios. Surface contact angle measurement illustrated different hydrophobic properties for the blended film surfaces. Differential scanning calorimetry (DSC) showed that the formation of the beta sheet structure of silk fibroin enhances the thermal stability of the final blend films. Therefore, the novel method presented in this study resulted in the formation of biocomposite films whose physico-chemical properties can be tuned by silk fibroin conformational changes by applying different component mixing ratios.

An optical Fourier transform coprocessor with direct phase determination.

PubMed

Macfaden, Alexander J; Gordon, George S D; Wilkinson, Timothy D

2017-10-20

The Fourier transform is a ubiquitous mathematical operation which arises naturally in optics. We propose and demonstrate a practical method to optically evaluate a complex-to-complex discrete Fourier transform. By implementing the Fourier transform optically we can overcome the limiting O(nlogn) complexity of fast Fourier transform algorithms. Efficiently extracting the phase from the well-known optical Fourier transform is challenging. By appropriately decomposing the input and exploiting symmetries of the Fourier transform we are able to determine the phase directly from straightforward intensity measurements, creating an optical Fourier transform with O(n) apparent complexity. Performing larger optical Fourier transforms requires higher resolution spatial light modulators, but the execution time remains unchanged. This method could unlock the potential of the optical Fourier transform to permit 2D complex-to-complex discrete Fourier transforms with a performance that is currently untenable, with applications across information processing and computational physics.

Pressure-induced kinetics of the α to ω transition in zirconium

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

Jacobsen, M. K.; Velisavljevic, N., E-mail: nenad@lanl.gov; Sinogeikin, S. V.

Diamond anvil cells (DAC) coupled with x-ray diffraction (XRD) measurements are one of the primary techniques for investigating structural stability of materials at high pressure-temperature (P-T) conditions. DAC-XRD has been predominantly used to resolve structural information at set P-T conditions and, consequently, provides P-T phase diagram information on a broad range of materials. With advances in large scale synchrotron x-ray facilities and corresponding x-ray diagnostic capabilities, it is now becoming possible to perform sub-second time resolved measurements on micron sized DAC samples. As a result, there is an opportunity to gain valuable information about the kinetics of structural phase transformationsmore » and extend our understanding of material behavior at high P-T conditions. Using DAC-XRD time resolved measurements, we have investigated the kinetics of the α to ω transformation in zirconium. We observe a clear time and pressure dependence in the martensitic α-ω transition as a function of pressure-jump, i.e., drive pressure. The resulting data are fit using available kinetics models, which can provide further insight into transformation mechanism that influence transformation kinetics. Our results help shed light on the discrepancies observed in previous measurements of the α-ω transition pressure in zirconium.« less

Changes of Photosynthetic Behaviors and Photoprotection during Cell Transformation and Astaxanthin Accumulation in Haematococcus pluvialis Grown Outdoors in Tubular Photobioreactors.

PubMed

Zhang, Litao; Su, Fang; Zhang, Chunhui; Gong, Fengying; Liu, Jianguo

2016-12-26

The cell transformation from green motile cells to non-motile cells and astaxanthin accumulation can be induced in the green alga Haematococcus pluvialis cultured outdoors. In the initial 3 d of incubation (cell transformation phase), light absorption and photosynthetic electron transport became more efficient. After five days of incubation (astaxanthin accumulation phase), the light absorption per active reaction center (ABS/RC) increased, but the efficiency of electron transport ( ψ o ) and the quantum yield of electron transport ( φ Eo ) decreased with increased time, indicating that the capacity of photosynthetic energy utilization decreased significantly during astaxanthin accumulation, leading to an imbalance between photosynthetic light absorption and energy utilization. It would inevitably aggravate photoinhibition under high light, e.g., at midday. However, the level of photoinhibition in H. pluvialis decreased as the incubation time increased, which is reflected by the fact that F v / F m determined at midday decreased significantly in the initial 3 d of incubation, but was affected very little after seven days of incubation, compared with that determined at predawn. This might be because the non-photochemical quenching, plastid terminal oxidase, photosystem I cyclic electron transport, defensive enzymes and the accumulated astaxanthin can protect cells against photoinhibition.

Changes of Photosynthetic Behaviors and Photoprotection during Cell Transformation and Astaxanthin Accumulation in Haematococcus pluvialis Grown Outdoors in Tubular Photobioreactors

PubMed Central

Zhang, Litao; Su, Fang; Zhang, Chunhui; Gong, Fengying; Liu, Jianguo

2016-01-01

The cell transformation from green motile cells to non-motile cells and astaxanthin accumulation can be induced in the green alga Haematococcus pluvialis cultured outdoors. In the initial 3 d of incubation (cell transformation phase), light absorption and photosynthetic electron transport became more efficient. After five days of incubation (astaxanthin accumulation phase), the light absorption per active reaction center (ABS/RC) increased, but the efficiency of electron transport (ψo) and the quantum yield of electron transport (φEo) decreased with increased time, indicating that the capacity of photosynthetic energy utilization decreased significantly during astaxanthin accumulation, leading to an imbalance between photosynthetic light absorption and energy utilization. It would inevitably aggravate photoinhibition under high light, e.g., at midday. However, the level of photoinhibition in H. pluvialis decreased as the incubation time increased, which is reflected by the fact that Fv/Fm determined at midday decreased significantly in the initial 3 d of incubation, but was affected very little after seven days of incubation, compared with that determined at predawn. This might be because the non-photochemical quenching, plastid terminal oxidase, photosystem I cyclic electron transport, defensive enzymes and the accumulated astaxanthin can protect cells against photoinhibition. PMID:28035956

Pressure-induced kinetics of the α to ω transition in zirconium

DOE PAGES

Jacobsen, M. K.; Velisavljevic, N.; Sinogeikin, S. V.

2015-07-13

Diamond anvil cells (DAC) coupled with x-ray diffraction (XRD) measurements are one of the primary techniques for investigating structural stability of materials at high pressure-temperature (P-T) conditions. DAC-XRD has been predominantly used to resolve structural information at set P-T conditions and, consequently, provides P-T phase diagram information on a broad range of materials. With advances in large scale synchrotron x-ray facilities and corresponding x-ray diagnostic capabilities, it is now becoming possible to perform sub-second time resolved measurements on micron sized DAC samples. As a result, there is an opportunity to gain valuable information about the kinetics of structural phase transformationsmore » and extend our understanding of material behavior at high P-T conditions. Using DAC-XRD time resolved measurements, we have investigated the kinetics of the α to ω transformation in zirconium. We observe a clear time and pressure dependence in the martensitic α-ω transition as a function of pressure-jump, i.e., drive pressure. The resulting data are fit using available kinetics models, which can provide further insight into transformation mechanism that influence transformation kinetics. Our results help shed light on the discrepancies observed in previous measurements of the α-ω transition pressure in zirconium.« less

Phase transition kinetics in DIET of vanadium pentoxide. I. Experimental results

NASA Astrophysics Data System (ADS)

Ai, R.; Fan, H.-J.; Marks, L. D.

1993-01-01

Experimental results of the kinetics of phase transformation in vanadium pentoxide during surface loss of oxygen from electron irradiation are described. Phase transformations under three different regimes were examined: (a) low flux; (b) intermediate flux and (c) high flux. Different phase transformation routes were observed under different fluxes. In a companion paper, numerical calculations are presented demonstrating that these results are due to a mixed interface/diffusion controlled phase transition pumped by surface oxygen loss.

Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model

NASA Astrophysics Data System (ADS)

Wong, Jessina; Jahn, David A.; Giovambattista, Nicolas

2015-08-01

We study the pressure-induced transformations between low-density amorphous (LDA) and high-density amorphous (HDA) ice by performing out-of-equilibrium molecular dynamics (MD) simulations. We employ the TIP4P/2005 water model and show that this model reproduces qualitatively the LDA-HDA transformations observed experimentally. Specifically, the TIP4P/2005 model reproduces remarkably well the (i) structure (OO, OH, and HH radial distribution functions) and (ii) densities of LDA and HDA at P = 0.1 MPa and T = 80 K, as well as (iii) the qualitative behavior of ρ(P) during compression-induced LDA-to-HDA and decompression-induced HDA-to-LDA transformations. At the rates explored, the HDA-to-LDA transformation is less pronounced than in experiments. By studying the LDA-HDA transformations for a broad range of compression/decompression temperatures, we construct a "P-T phase diagram" for glassy water that is consistent with experiments and remarkably similar to that reported previously for ST2 water. This phase diagram is not inconsistent with the possibility of TIP4P/2005 water exhibiting a liquid-liquid phase transition at low temperatures. A comparison with previous MD simulation studies of SPC/E and ST2 water as well as experiments indicates that, overall, the TIP4P/2005 model performs better than the SPC/E and ST2 models. The effects of cooling and compression rates as well as aging on our MD simulations results are also discussed. The MD results are qualitatively robust under variations of cooling/compression rates (accessible in simulations) and are not affected by aging the hyperquenched glass for at least 1 μs. A byproduct of this work is the calculation of TIP4P/2005 water's diffusion coefficient D(T) at P = 0.1 MPa. It is found that, for T ≥ 210 K, D(T) ≈ (T - TMCT)-γ as predicted by mode coupling theory and in agreement with experiments. For TIP4P/2005 water, TMCT = 209 K and γ = 2.14, very close to the corresponding experimental values TMCT = 221 K and γ = 2.2.

Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model.

PubMed

Wong, Jessina; Jahn, David A; Giovambattista, Nicolas

2015-08-21

We study the pressure-induced transformations between low-density amorphous (LDA) and high-density amorphous (HDA) ice by performing out-of-equilibrium molecular dynamics (MD) simulations. We employ the TIP4P/2005 water model and show that this model reproduces qualitatively the LDA-HDA transformations observed experimentally. Specifically, the TIP4P/2005 model reproduces remarkably well the (i) structure (OO, OH, and HH radial distribution functions) and (ii) densities of LDA and HDA at P = 0.1 MPa and T = 80 K, as well as (iii) the qualitative behavior of ρ(P) during compression-induced LDA-to-HDA and decompression-induced HDA-to-LDA transformations. At the rates explored, the HDA-to-LDA transformation is less pronounced than in experiments. By studying the LDA-HDA transformations for a broad range of compression/decompression temperatures, we construct a "P-T phase diagram" for glassy water that is consistent with experiments and remarkably similar to that reported previously for ST2 water. This phase diagram is not inconsistent with the possibility of TIP4P/2005 water exhibiting a liquid-liquid phase transition at low temperatures. A comparison with previous MD simulation studies of SPC/E and ST2 water as well as experiments indicates that, overall, the TIP4P/2005 model performs better than the SPC/E and ST2 models. The effects of cooling and compression rates as well as aging on our MD simulations results are also discussed. The MD results are qualitatively robust under variations of cooling/compression rates (accessible in simulations) and are not affected by aging the hyperquenched glass for at least 1 μs. A byproduct of this work is the calculation of TIP4P/2005 water's diffusion coefficient D(T) at P = 0.1 MPa. It is found that, for T ≥ 210 K, D(T) ≈ (T - T(MCT))(-γ) as predicted by mode coupling theory and in agreement with experiments. For TIP4P/2005 water, T(MCT) = 209 K and γ = 2.14, very close to the corresponding experimental values T(MCT) = 221 K and γ = 2.2.

Nociception, pain, negative moods and behavior selection

PubMed Central

Baliki, Marwan N.; Apkarian, A. Vania

2015-01-01

Recent neuroimaging studies suggest that the brain adapts with pain, as well as imparts risk for developing chronic pain. Within this context we revisit the concepts for nociception, acute and chronic pain, and negative moods relative to behavior selection. We redefine nociception as the mechanism protecting the organism from injury; while acute pain as failure of avoidant behavior; and a mesolimbic threshold process that gates the transformation of nociceptive activity to conscious pain. Adaptations in this threshold process are envisioned to be critical for development of chronic pain. We deconstruct chronic pain into four distinct phases, each with specific mechanisms; and outline current state of knowledge regarding these mechanisms: The limbic brain imparting risk, while mesolimbic learning processes reorganizing the neocortex into a chronic pain state. Moreover, pain and negative moods are envisioned as a continuum of aversive behavioral learning, which enhance survival by protecting against threats. PMID:26247858

Influence of Temperature on Fatigue-Induced Martensitic Phase Transformation in a Metastable CrMnNi-Steel

NASA Astrophysics Data System (ADS)

Biermann, Horst; Glage, Alexander; Droste, Matthias

2016-01-01

Metastable austenitic steels can exhibit a fatigue-induced martensitic phase transformation during cyclic loading. It is generally agreed that a certain strain amplitude and a threshold of the cumulated plastic strain must be exceeded to trigger martensitic phase transformation under cyclic loading. With respect to monotonic loading, the martensitic phase transformation takes place up to a critical temperature—the so-called M d temperature. The goal of the present investigation is to determine an M d,c temperature which would be the highest temperature at which a fatigue-induced martensitic phase transformation can take place. For this purpose, fatigue tests controlled by the total strain were performed at different temperatures. The material investigated was a high-alloy metastable austenitic steel X3CrMnNi16.7.7 (16.3Cr-7.2Mn-6.6Ni-0.03C-0.09N-1.0Si) produced using the hot pressing technique. The temperatures were set in the range of 283 K (10 °C) ≤ T ≤ 473 K (200 °C). Depending on the temperature and strain amplitude, the onset of the martensitic phase transformation shifted to different values of the cumulated plastic strain, or was inhibited completely. Moreover, it is known that metastable austenitic CrMnNi steels with higher nickel contents can exhibit the deformation-induced twinning effect. Thus, at higher temperatures and strain amplitudes, a transition from the deformation-induced martensitic transformation to deformation-induced twinning takes place. The fatigue-induced martensitic phase transformation was monitored during cyclic loading using a ferrite sensor. The microstructure after the fatigue tests was examined using the back-scattered electrons, the electron channeling contrast imaging and the electron backscatter diffraction techniques to study the temperature-dependent dislocation structures and phase transformations.

In situ Observation of Phase Transformation in MnAl(C) Magnetic Materials

PubMed Central

Si, Ping-Zhan; Qian, Hui-Dong; Choi, Chul-Jin; Park, Jihoon; Han, Sangho; Ge, Hong-Liang; Shinde, Kiran P.

2017-01-01

The phase transformation in two modes, including both displacive and massive growth of τ-phase from ε-MnAl(C), was observed by in situ transmission electron microscopy. The exact temperature range for different phase transformation modes was determined by magnetic measurements. The displacive growth of ε→τ in Mn54Al46 (or Mn54Al46C2.44) occurs at temperatures below 650 K (or 766 K), above which both modes coexist. One-third or less of the ε-phase can be transformed into τ-phase via displacive mode while the remaining two-thirds or more via massive mode. In bulk τ-phase, most τ-nanocrystals formed via displacive mode are distributed in the matrix of large τ-grains that formed via massive mode. The typical massive growth rate of the τ-phase is 8–60 nm/s, while the displacive growth rate is low. A more complete understanding of the ε→τ phase transformations in the MnAl-based magnets was provided in this work, based on which the annealing process for ε→τ was optimized and thus high purity τ-phase with high saturation magnetization was obtained. PMID:28858231

Overview of recent results and future plans on the Compact Toroidal Hybrid experiment

NASA Astrophysics Data System (ADS)

Maurer, D. A.; Archmiller, M. C.; Cianciosa, M. R.; Ennis, D. A.; Hanson, J. D.; Hartwell, G. J.; Hebert, J. D.; Herfindal, J. L.; Knowlton, S. F.; Ma, X.; Massidda, S.; Pandya, M. D.; Roberds, N. A.; Traverso, P. J.

2015-11-01

Goals of the Compact Toroidal Hybrid (CTH) experiment are to: (1) investigate the dependence of plasma disruptive behavior on the level of applied 3D magnetic shaping, (2) test and advance 3D computational modeling tools in strongly shaped plasmas, and (3) study the implementation of a new island divertor. Progress towards these goals and other developments are summarized. The disruptive density limit is observed to exceed the Greenwald limit as the vacuum transform is increased, but a threshold for disruption avoidance is not observed. Low q operation is routine, with low q disruptions avoided when the vacuum transform is raised to the value of 0.07 or above. Application of vacuum transform has been demonstrated to reduce and eliminate the vertical drift of elongated discharges that would otherwise be vertically unstable. Current efforts at improved equilibrium reconstruction and diagnostic development will beoverviewed. NIMROD is used to model the current ramp phase of CTH and 3D shaped sawtooth behavior. An island divertor design has begun with connection length studies and initial EMC3-Eirene results to model energy deposition on divertor plates located in an edge 1/3 island. This work is supported by U.S. Department of Energy Grant No. DE- FG02-00ER54610.

Nanoscale multiphase phase field approach for stress- and temperature-induced martensitic phase transformations with interfacial stresses at finite strains

NASA Astrophysics Data System (ADS)

Basak, Anup; Levitas, Valery I.

2018-04-01

A thermodynamically consistent, novel multiphase phase field approach for stress- and temperature-induced martensitic phase transformations at finite strains and with interfacial stresses has been developed. The model considers a single order parameter to describe the austenite↔martensitic transformations, and another N order parameters describing N variants and constrained to a plane in an N-dimensional order parameter space. In the free energy model coexistence of three or more phases at a single material point (multiphase junction), and deviation of each variant-variant transformation path from a straight line have been penalized. Some shortcomings of the existing models are resolved. Three different kinematic models (KMs) for the transformation deformation gradient tensors are assumed: (i) In KM-I the transformation deformation gradient tensor is a linear function of the Bain tensors for the variants. (ii) In KM-II the natural logarithms of the transformation deformation gradient is taken as a linear combination of the natural logarithm of the Bain tensors multiplied with the interpolation functions. (iii) In KM-III it is derived using the twinning equation from the crystallographic theory. The instability criteria for all the phase transformations have been derived for all the kinematic models, and their comparative study is presented. A large strain finite element procedure has been developed and used for studying the evolution of some complex microstructures in nanoscale samples under various loading conditions. Also, the stresses within variant-variant boundaries, the sample size effect, effect of penalizing the triple junctions, and twinned microstructures have been studied. The present approach can be extended for studying grain growth, solidifications, para↔ferro electric transformations, and diffusive phase transformations.

Transformational leadership and innovative work behavior among nursing staff.

PubMed

Masood, Mariam; Afsar, Bilal

2017-10-01

The importance of innovation within organizations has been demonstrated on numerous occasions, which has subsequently led to the identification of effective leadership as a potential catalyst. Most of us would acknowledge that effective leadership plays a pivotal role to engender innovativeness among nursing staff. Although research has identified some leadership styles to foster a nurse's innovative work behavior, a comprehensive model explaining the effect of transformational leadership on nurses' innovative work behavior is still unclear. This research built and tested a theoretical model linking transformational leadership and innovative work behavior via several intervening variables. Data were collected from 587 nurses and 164 doctors (nursing supervisors) through structured questionnaires from public sector hospitals in Pakistan. Results of the study indicated that, as anticipated, transformational leadership positively affected psychological empowerment of nurses, which in turn influenced both intrinsic motivation and knowledge sharing behavior. These latter two variables then had a positive influence on innovative work behavior. Empowerment role identity moderated the link between transformational leadership and psychological empowerment, whereas willingness to rely on leader (reliance-based trust) and willingness to share sensitive information with leader (disclosure-based trust) moderated the connection between knowledge sharing behavior and innovative work behavior. These results imply that transformational leadership through psychological empowerment, knowledge sharing, and intrinsic motivation fosters nurse's innovative work behavior. The results also show that the relationship between transformational leadership and innovative work behavior is stronger among nurses who frequently share their knowledge about best practices and mistakes with co-workers. © 2017 John Wiley & Sons Ltd.

Calorimetric and spectroscopic studies of the thermotropic phase behavior of lipid bilayer model membranes composed of a homologous series of linear saturated phosphatidylserines.

PubMed Central

Lewis, R N; McElhaney, R N

2000-01-01

The thermotropic phase behavior of lipid bilayer model membranes composed of the even-numbered, N-saturated 1,2-diacyl phosphatidylserines was studied by differential scanning calorimetry and by Fourier-transform infrared and (31)P-nuclear magnetic resonance spectroscopy. At pH 7.0, 0.1 M NaCl and in the absence of divalent cations, aqueous dispersions of these lipids, which have not been incubated at low temperature, exhibit a single calorimetrically detectable phase transition that is fully reversible, highly cooperative, and relatively energetic, and the transition temperatures and enthalpies increase progressively with increases in hydrocarbon chain length. Our spectroscopic observations confirm that this thermal event is a lamellar gel (L(beta))-to-lamellar liquid crystalline (L(alpha)) phase transition. However, after low temperature incubation, the L(beta)/L(alpha) phase transition of dilauroyl phosphatidylserine is replaced by a higher temperature, more enthalpic, and less cooperative phase transition, and an additional lower temperature, less enthalpic, and less cooperative phase transition appears in the longer chain phosphatidylserines. Our spectroscopic results indicate that this change in thermotropic phase behavior when incubated at low temperatures results from the conversion of the L(beta) phase to a highly ordered lamellar crystalline (L(c)) phase. Upon heating, the L(c) phase of dilauroyl phosphatidylserine converts directly to the L(alpha) phase at a temperature slightly higher than that of its original L(beta)/L(alpha) phase transition. Calorimetrically, this process is manifested by a less cooperative but considerably more energetic, higher-temperature phase transition, which replaces the weaker L(beta)/L(alpha) phase transition alluded to above. However, with the longer chain compounds, the L(c) phase first converts to the L(beta) phase at temperatures some 10-25 degrees C below that at which the L(beta) phase converts to the L(alpha) phase. Our results also suggest that shorter chain homologues form L(c) phases that are structurally related to, but more ordered than, those formed by the longer chain homologues, but that these L(c) phases are less ordered than those formed by other phospholipids. These studies also suggest that polar/apolar interfaces of the phosphatidylserine bilayers are more hydrated than those of other glycerolipid bilayers, possibly because of interactions between the polar headgroup and carbonyl groups of the fatty acyl chains. PMID:11023908

Pressure-induced transformations in amorphous silicon: A computational study

NASA Astrophysics Data System (ADS)

Garcez, K. M. S.; Antonelli, A.

2014-02-01

We study the transformations between amorphous phases of Si through molecular simulations using the environment dependent interatomic potential (EDIP) for Si. Our results show that upon pressure, the material undergoes a transformation from the low density amorphous (LDA) Si to the high density amorphous (HDA) Si. This transformation can be reversed by decompressing the material. This process, however, exhibits clear hysteresis, suggesting that the transformation LDA ↔ HDA is first-order like. The HDA phase is predominantly five-fold coordinated, whereas the LDA phase is the normal tetrahedrally bonded amorphous Si. The HDA phase at 400 K and 20 GPa was submitted to an isobaric annealing up to 800 K, resulting in a denser amorphous phase, which is structurally distinct from the HDA phase. Our results also show that the atomic volume and structure of this new amorphous phase are identical to those of the glass obtained by an isobaric quenching of the liquid in equilibrium at 2000 K and 20 GPa down to 400 K. The similarities between our results and those for amorphous ices suggest that this new phase is the very high density amorphous Si.

Low Temperature Phase Transformations in Copper-Quenched Ti-44.5Al-8Nb-2.5V Alloy

PubMed Central

Cao, Shouzhen; Xiao, Shulong; Chen, Yuyong; Xu, Lijuan; Wang, Xiaopeng; Han, Jianchao

2017-01-01

In this study, an easily controlled transformation similar to the β + α → β + α + γ and the analysis of metastable phases in a β solidifying Ti-44.5Al-8Nb-2.5V alloy were investigated. Therefore, a liquid alloy copper-quenching followed by annealing at an application temperature (850 °C) has been carried out. Following quenching, a microstructure composed of several supersaturated phases—the basket-weave β0 (βbv) phase, the plate-like α2 (αp) phase and the stripe-like γ (γs) phase—was obtained. In the annealing processes, phase transformations in the prior βbv and αp phases domain corresponded nicely to the β + α → β + α + γ transformation during solidification. Also, in the annealed γs phase, the kinetics of the phase transformations involving the metastable L12 phase was firstly detected by transmission electron microscopy (TEM). The L12 phase had a lattice structure similar to the γ phase, whereas the composition of the phase was similar to the α2 phase. The formation of the γ pre-twin phase with an anti-phase boundary (APB) was detected in the γs phase of the matrix. The orientation relationships between the γs and precipitated: γ (γp) phase are <101]γs//<114]γp, (101¯)γs//(1¯10)γp and (01¯0)γs//(221¯)γp. PMID:28772561

Modeling of wave-coherent pressures in the turbulent boundary layer above water waves

NASA Technical Reports Server (NTRS)

Papadimitrakis, Yiannis ALEX.

1988-01-01

The behavior of air pressure fluctuations induced by progressive water waves generated mechanically in a laboratory tank was simulated by solving a modified Orr-Sommerfeld equation in a transformed Eulerian wave-following frame of reference. Solution is obtained by modeling the mean and wave-coherent turbulent Reynolds stresses, the behavior of which in the turbulent boundary layer above the waves was simulated using a turbulent kinetic energy-dissipation model, properly modified to account for free-surface proximity and favorable pressure gradient effects. The distribution of both the wave-coherent turbulent Reynolds stress and pressure amplitudes and their corresponding phase lags was found to agree reasonably well with available laboratory data.

Solid-state transformation of Fe-rich intermetallic phases in Al–5.0Cu–0.6Mn squeeze cast alloy with variable Fe contents during solution heat treatment

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

Lin, Bo; School of Mechanical Engineering, Gui Zhou University, Guiyang 550000; Zhang, Weiwen, E-mail: mewzhang@scut.edu.cn

2015-06-15

The Al–5.0 wt.% Cu–0.6 wt.% Mn alloys with a variable Fe content were prepared by squeeze casting. Optical microscopy (OM), Deep etching technique, scanning electron microscopy(SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to examine the solid-state transformation of Fe-rich intermetallics during the solution heat treatment. The results showed that the Chinese script-like α-Fe, Al{sub 6}(FeMn) and needle-like Al{sub 3}(FeMn) phases transform to a new Cu-rich β-Fe (Al{sub 7}Cu{sub 2}(FeMn)) phase during solution heat treatment. The possible reaction and overall transformation kinetics of the solid-state phase transformation for the Fe-rich intermetallics were investigated. - Graphical abstract: Displaymore » Omitted - Highlights: • The α-Fe, Al{sub 6}(FeMn) and Al{sub 3}(FeMn) phases change to the β-Fe phases. • Possible reactions of Fe phases during solution heat treatment are discussed. • The overall fractional transformation rate follows an Avrami curve.« less