Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “PHASE STABILITY”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Anomalies in the Young modulus at structural phase transitions in rare-earth cobaltites RBaCo{sub 4}O{sub 7} (R = Y, Tm-Lu)

The elastic properties of rare-earth cobaltites RBaCo{sub 4}O{sub 7} (R = Y, Tm-Lu) have been experimentally studied in the temperature range of 80-300 K. The strong softening of the Young modulus {Delta}E(T)/E{sub 0} Almost-Equal-To -(0.1-0.2) of cobaltites with Lu and Yb ions has been revealed, which is due to the instability of the crystal structure upon cooling and is accompanied by an inverse jump at the second-order structural phase transition. The softening of the Young modulus and the jump at the phase transition decrease by an order of magnitude and the transition temperature T{sub s} and hysteresis {Delta}T{sub s} increase from a compound with Lu to that with Tm. A large softening of the Young modulus at the structural transition in Lu- and Yb cobaltites indicates that the corresponding elastic constant goes to zero, whereas this constant in Tm cobaltite is not a 'soft' mode of the phase transition. It has been found that the structural phase transition in Lu- and Yb cobaltites is accompanied by a large absorption maximum at the phase transition point and an additional maximum in the low-temperature phase and absorption anomalies in Tm cobaltite is an order of magnitude smaller.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Effect of tilted anisotropy on spin states of strongly anisotropic 2D film

The spin states of a 2D film with a strong easy-plane anisotropy and single-ion tilted anisotropy, the axis of which forms a certain angle with the normal to the film plane are investigated. In this system, an angular ferromagnetic phase, a spatially inhomogeneous state, and a quadrupole phase can be formed; the realization of these states noticeably depends on the degree of tilted anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Smeared spin-flop transition in random antiferromagnetic Ising chain

At T = 0 and in a sufficiently large field, the nearest-neighbor antiferromagnetic Ising chain undergoes a first-order spin-flop transition into the ferromagnetic phase. We consider its smearing under the random-bond disorder such that all independent random bonds are antiferromagnetic (AF). It is shown that the ground-state thermodynamics of this random AF chain can be described exactly for an arbitrary distribution P(J) of AF bonds. Moreover, the site magnetizations of finite chains can be found analytically in this model. We consider a continuous P(J) that is zero above some -J{sub 1} and behaves near it as (-J{sub 1}-J){sup {lambda}}, {lambda} > -1. In this case, the ferromagnetic phase emerges continuously in a field H > H{sub c} = 2J{sub 1}. At 0 > {lambda} > -1, it has the usual second-order anomalies near H{sub c} with the critical indices obeying the scaling relation and depending on {lambda}. At {lambda} > 0, higher-order transitions occur (third, fourth, etc.), marked by a divergence of the corresponding nonlinear susceptibilities. In the chains with an even number of spins, the intermediate 'bow-tie' phase with linearly modulated AF order exists between the AF and ferromagnetic phases at J{sub 1} < H < H{sub c}. Its origin can be traced to the infinite correlation length of the degenerate AF phase from which it emerges. This implies the existence of similar inhomogeneous phases with size- and form-dependent order in a number of other systems with infinite correlation length. The possibility to observe the signs of the 'bow-tie' phase in low-T neutron diffraction experiments is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Phase behavior of DODAB aqueous solution

Phase behavior of DODAB aqueous solution, prepared without sonication, was studied by adiabatic scanning calorimetry. Measurements revealed four phase transitions with the temperatures 35.2, 39.6, 44.6, and 52.4 Degree-Sign C at heating and one transition at the temperature 40.4 Degree-Sign C at cooling. The first three transitions at heating occur in unilamellar vesicles. The first and third transitions correspond to the subgel-gel and gelliquid phase transitions, corresponding enthalpy jumps are equal to 33 and 49 kJ/mol. The second transition appears after some aging and is similar to gel-ripple phase transition in a DPPC solution, with the enthalpy jump under the transition exceeding 7.4 kJ/mol. The transition occurs in unilamellar vesicles. The transition at the temperature 52.4 Degree-Sign C occurs in another subsystem of the solution, which we believe to be multilamellar vesicles. The enthalpy jump at this transition is equal to 97 kJ/mol, and data analysis suggests that this is a subgel-liquid transition. The phase transition at cooling is the liquid-gel transition in unilamellar vesicles. During the measurements, a slow evolution of the solution occurs, consisting in a change of concentrations of unilamellar and multilamellar vesicles. This transformation mainly occurs at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Laws of formation of polar smectic phases under a frustrated interaction

The Landau theory of phase transitions with a two-component order parameter is used to systematically calculate the structures and phase diagrams of polar liquid crystals. Commensurate and incommensurate structures with a layer-type period form as a result of a frustration interaction. Phase diagrams are calculated when various short- and long-range interlayer interactions are sequentially introduced. As a result, the nature of formation of various structures is revealed. The calculated phase diagrams explain the formation of various phases, their temperature sequence (including so-called 'unusual' sequence of phases), and the nature of forces responsible for the formation of a certain structure and the shape of a phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Structural modifications of graphyne layers consisting of carbon atoms in the sp- and sp{sup 2}-hybridized states

A model scheme is proposed for obtaining layered compounds consisting of carbon atoms in the sp- and (vnsp){sup 2}-hybridized states. This model is used to find the possibility of existing the following seven basic structural modifications of graphyne: α-, β1-, β2-, β3-, γ1-, γ2-, and γ3-graphyne. Polymorphic modifications β3 graphyne and γ3 graphyne are described. The basic structural modifications of graphyne contain diatomic polyyne chains and consist only of carbon atoms in two different crystallographically equivalent states. Other nonbasic structural modifications of graphyne can be formed via the elongation of the carbyne chains that connect three-coordinated carbon atoms and via the formation of graphyne layers with a mixed structure consisting of basic layer fragments, such as α-β-graphyne, α-γ-graphyne, and β-γ-graphyne. The semiempirical quantum-mechanical MNDO, AM1, and PM3 methods and ab initio STO6-31G basis calculations are used to find geometrically optimized structures of the basic graphyne layers, their structural parameters, and energies of their sublimation. The energy of sublimation is found to be maximal for γ2-graphyne, which should be the most stable structural modification of graphyne.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Cation Dynamics in Hybrid Halide Perovskites

Hybrid halide perovskite semiconductors exhibit complex, dynamical disorder while also harboring properties ideal for optoelectronic applications that include photovoltaics. However, these materials are structurally and compositionally distinct from traditional compound semiconductors composed of tetrahedrally coordinated elements with an average valence electron count of silicon. The additional dynamic degrees of freedom of hybrid halide perovskites underlie many of their potentially transformative physical properties. Neutron scattering and spectroscopy studies of the atomic dynamics of these materials have yielded significant insights into their functional properties. Specifically, inelastic neutron scattering has been used to elucidate the phonon band structure, and quasi-elastic neutron scattering has revealed the nature of the uncorrelated dynamics pertaining to molecular reorientations. Understanding the dynamics of these complex semiconductors has elucidated the temperature-dependent phase stability and origins of defect-tolerant electronic transport from the highly polarizable dielectric response. Furthermore, the dynamic degrees of freedom of the hybrid perovskites provide additional opportunities for application engineering and innovation.

Materials Science↗
DOE OSTI2019

Optical and Physical Probing of Thermal Processes in Semiconductor and Plasmonic Nanocrystals

This article reviews thermal properties of semiconductor and emergent plasmonic nanomaterials with a focus on mechanisms through which hot carriers and phonons are produced and dissipated, as well as the related impact on optoelectronic properties. Equilibrium elevated temperatures, of particular relevance to implementation of nanomaterials in devices, affect absorptive and radiative transitions as well as emission efficiency that can present reversible and irreversible changes with temperature. In noble metal or doped semiconductor/insulator nanomaterials, hot carriers and lattice heating can substantially influence localized surface plasmon resonances and yield large, ultrafast changes in transmission, or strongly oscillatory coherences. Transient optical and diffraction characterizations enable non-equilibrium investigations of phonon dynamics and cooling such as lattice expansion and crystal phase stability. Timescales of nanoparticle thermalization with surroundings and transport of heat within films of such materials is also discussed.

optical probe↗
DOE OSTI2016

CaO-MgO-Al 2 O 3 -SiO 2 (CMAS) corrosion of Gd 2 Zr 2 O 7 and Sm 2 Zr 2 O 7

Ceramic thermal barrier coatings are applied to superalloys used in gas turbine engineering to increase the operating temperature and the energy conversion efficiency. However, dust consisting of CaO-MgO-Al 2 O 3 -SiO 2 (CMAS) from the air can be injected into the engines and corrode the thermal barrier coatings. Lanthanide zirconates are promising materials in thermal barrier coatings due to their low thermal conductivities, good phase stability and good corrosion resistance. However, the corrosion resistance mechanism of CMAS on lanthanide zirconates is still not clearly understood. In this work, the corrosion mechanism of Gd 2 Zr 2 O 7 and Sm 2 Zr 2 O 7 in CMAS is studied. Here, the results show that the CMAS can easily react with lanthanide zirconate thermal barrier coatings to form a dense layer, which can resist further corrosion

36 MATERIALS SCIENCE↗
DOE OSTI2022

Intense infrared lasers for strong-field science

The advent of chirped-pulse amplification in the 1980s and femtosecond Ti:sapphire lasers in the 1990s enabled transformative advances in intense laser–matter interaction physics. Whereas most of experiments have been conducted in the limited near-infrared range of 0.8–1 μm, theories predict that many physical phenomena such as high harmonic generation in gases favor long laser wavelengths in terms of extending the high-energy cutoff. Significant progress has been made in developing few-cycle, carrier-envelope phase-stabilized, high-peak-power lasers in the 1.6–2 μm range that has laid the foundation for attosecond X ray sources in the water window. Even longer wavelength lasers are becoming available that are suitable to study light filamentation, high harmonic generation, and laser–plasma interaction in the relativistic regime. Long-wavelength lasers are suitable for sub-bandgap strong-field excitation of a wide range of solid materials, including semiconductors. In the strong-field limit, bulk crystals also produce high-order harmonics. In this review, we first introduce several important wavelength scaling laws in strong-field physics, then describe recent breakthroughs in short- (1.4–3 μm), mid- (3–8 μm), and long-wave (8–15 μm) infrared laser technology, and finally provide examples of strong-field applications of these novel lasers. Furthermore, some of the broadband ultrafast infrared lasers will have profound effects on medicine, environmental protection, and national defense, because their wavelengths cover the water absorption band, the molecular fingerprint region, as well as the atmospheric infrared transparent window.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Multi-millijoule hollow-core fiber compression of short-wave infrared pulses to a single cycle

Approaches for efficient pulse compression can enable dramatic increases in the available peak power, as well as enable the generation of isolated attosecond X-ray pulses. Achieving high compression ratios for longer wavelength drivers has, however, been challenging. We present the compression of few-cycle 2.1 µm central wavelength short-wave infrared laser pulses to 6.9 fs with 2.35 mJ pulse energy at a 10 kHz repetition rate. Electric field resolved measurements reveal a single cycle light field oscillation. With a carrier-envelope-phase stability of 131 mrad and average power fluctuations below 1 %, the system constitutes an excellent light source for strong-field experiments and attosecond physics.

Blöchl, Johannes [Ludwig Maximilian Univ. of Munic↗
DOE OSTI2015

Synthesis, physics, and applications of ferroelectric nanomaterials

Improvement of both solution and vapor-phase synthetic techniques for nanoscale ferroelectrics has driven progress in fundamental understanding of the polar phase at reduced dimensions, and this physical insight has pushed the boundaries of ferroelectric phase stability and polarization switching to sub-10 nm dimensions. The development and characterization of new ferroelectric nanomaterials has opened new avenues toward future nonvolatile memories, devices for energy storage and conversion, biosensors, and many other applications. This prospective will illustrate recent progress on the synthesis, fundamental understanding, and applications of zero- and one-dimensional ferroelectric nanomaterials and propose new directions for future study in all three areas.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microscopy Techniques for Investigating the Control of Organic Constituents on Biomineralization

In this paper we address recent advances in the application of microscopy techniques to characterize crystallization processes as they relate to biomineralization and bio-inspired materials synthesis. In particular, we focus on studies aimed at revealing the role that organic macromolecules and functionalized surfaces have in modulating the mechanisms of nucleation and growth. In the nucleation studies, we explore the use of methods such asin situ transmission electron microscopy (TEM),atomic force microscopy (AFM), and cryogenic electron microscopy (cryoEM)to delineate formation pathways, phase stabilization, and the competing effects of free energy and kinetic barriers. In the growth studies, an emphasis is placed on understanding the interactions of macromolecular constituents with growing crystals and how to characterize the internal structures of the resulting composite crystals using techniques such as electron tomography, atom probe tomography (APT), and vibrational spectromicroscopy. Examples are drawn from both biological and bio-inspired synthetic systems.

Hendley, Coit T.↗
DOE OSTI2018

Multiphonon: Phonon Density of States tools for Inelastic Neutron Scattering Powder Data

The multiphonon python package calculates phonon density of states, a reduced representation of vibrational property of condensed matter (see, for example, Section “Density of Normal Modes” in Chapter 23 “Quantum Theory of the Harmonic Crystal” of (Ashcroft and Mermin 2011)), from inelastic neutron scattering (see, for example (B. Fultz et al. 2006–2016)) spectrum from a powder sample. Inelastic neutron spectroscopy (INS) is a probe of excitations in solids of vibrational or magnetic origins. In INS, neutrons can lose(gain) energy to(from) the solid in the form of quantized lattice vibrations – phonons. Measuring phonon density of states is usually the first step in determining the phonon properties of a material experimentally. Phonons play a very important role in understanding the physical properties of a solid, including thermal conductivity and electrical conductivity. Hence, INS is an important tool for studying thermoelectric materials (Budai et al. 2014, Li et al. (2015)), where low thermal conductivity and high electrical conductivity are desired. Study of phonon entropy also made important contributions to the research of thermal dynamics and phase stability of materials (B. Fultz 2010, bogdanoff2002phonon, swan2006vibrational).

36 MATERIALS SCIENCE↗
DOE OSTI2013

Irradiation Performance of U-Mo Alloy Based ‘Monolithic’ Plate-Type—Design Selection Update

Based on data available in 2009, a decision was made to focus U–Mo monolithic fuel development and qualification efforts on a single fuel design. This fuel design consists of a U–10Mo (wt.%) monolithic fuel foil, a zirconium barrier layer applied to the faces of the foil, and 6061 aluminum cladding. This document updates the basis for the selection of that fuel system, drawing on additional fuel-performance data available as of May 2013. This update also applies recently developed GTRI (Global Threat Reduction Initiative) requirements for fuel qualification to the selection process. Because of its inherent gamma-phase stability and qualitatively better rolling behavior, U–10Mo was selected as the fuel alloy of choice, exhibiting reasonable uranium density and good irradiation performance. A zirconium barrier layer between the fuel and cladding was chosen to provide a predictable, well-bonded, fuel-cladding interface, greatly reducing fuel-cladding chemical interaction. The fuel plate testing conducted to inform this selection was based on the use of U–10Mo foils fabricated by hot- and cold co-rolling with a Zr foil. The foils were subsequently bonded to the Al–6061 cladding by hot isostatic pressing or friction stir welding. Since the original down-select decision was made, additional information has become available on fuel performance and on the cost of the fuel system. Preliminary cost estimates indicate that U–Mo-Zr waste generated during fabrication is difficult to recycle and adds substantially to the production cost. It is the purpose of this report to review fuel-performance data available as of May 2013, outline data and observations that are significant to informing the down-selection process, review the data against down-select requirements, and update the recommendation on a fuel system suitable for fuel qualification. In addition, this report assesses the potential of a fuel system without a zirconium barrier layer for use in USNRC-licensed research reactors. This revised report is issued as a working draft for discussion by the United States High Performance Research Reactor (USHPRR) program. The document will continue to be revised as additional information becomes available. This may include updates to information about normal and anticipated transient fuel operating conditions as conversion fuel-element designs evolve or additional information on fuel performance gained from U.S. or international testing programs. In particular, information from the RERTR–12 experiment will be included when available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2011

Thermodynamics and Kinetics of Phase Transformations in Hydrogen Storage Materials

The aim of this project is to develop and apply computational materials science tools to determine and predict critical properties of hydrogen storage materials. By better understanding the absorption/desorption mechanisms and characterizing their physical properties it is possible to explore and evaluate new directions for hydrogen storage materials. Particular emphasis is on the determination of the structure and thermodynamics of hydrogen storage materials, the investigation of microscopic mechanisms of hydrogen uptake and release in various materials and the role of catalysts in this process. As a team we have decided to focus on a single material, NaAlH{sub 4}, in order to fully be able to study the many aspects of hydrogen storage. We have focused on phase stability, mass transport and size-dependent reaction mechanisms in this material.

08 HYDROGEN↗
DOE OSTI2014

Optimization and testing results of Zr-bearing ferritic steels

The mission of the Nuclear Energy Enabling Technologies (NEET) program is to develop crosscutting technologies for nuclear energy applications. Advanced structural materials with superior performance at elevated temperatures are always desired for nuclear reactors, which can improve reactor economics, safety margins, and design flexibility. They benefit not only new reactors, including advanced light water reactors (LWRs) and fast reactors such as sodium-cooled fast reactor (SFR) that is primarily designed for management of high-level wastes, but also life extension of the existing fleet when component exchange is needed. Developing and utilizing the modern materials science tools (experimental, theoretical, and computational tools) is an important path to more efficient alloy development and process optimization. Ferritic-martensitic (FM) steels are important structural materials for nuclear reactors due to their advantages over other applicable materials like austenitic stainless steels, notably their resistance to void swelling, low thermal expansion coefficients, and higher thermal conductivity. However, traditional FM steels exhibit a noticeable yield strength reduction at elevated temperatures above ~500°C, which limits their applications in advanced nuclear reactors which target operating temperatures at 650°C or higher. Although oxide-dispersion-strengthened (ODS) ferritic steels have shown excellent high-temperature performance, their extremely high cost, limited size and fabricability of products, as well as the great difficulty with welding and joining, have limited or precluded their commercial applications. Zirconium has shown many benefits to Fe-base alloys such as grain refinement, improved phase stability, and reduced radiation-induced segregation. The ultimate goal of this project is, with the aid of computational modeling tools, to accelerate the development of a new generation of Zr-bearing ferritic alloys to be fabricated using conventional steelmaking practices, which have excellent radiation resistance and enhanced high-temperature creep performance greater than Grade 91.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Response of Simple, Model Systems to Extreme Conditions

The focus of the research was on the application of high-pressure/high-temperature techniques, together with intense energetic ion beams, to the study of the behavior of simple oxide systems (e.g., SiO 2 , GeO 2 , CeO 2 , TiO 2 , HfO 2 , SnO 2 , ZnO and ZrO 2 ) under extreme conditions. These simple stoichiometries provide unique model systems for the analysis of structural responses to pressure up to and above 1 Mbar, temperatures of up to several thousands of kelvin, and the extreme energy density generated by energetic heavy ions (tens of keV/atom). The investigations included systematic studies of radiation- and pressure-induced amorphization of high P-T polymorphs. By studying the response of simple stoichiometries that have multiple structural “outcomes”, we have established the basic knowledge required for the prediction of the response of more complex structures to extreme conditions. We especially focused on the amorphous state and characterized the different non-crystalline structure-types that result from the interplay of radiation and pressure. For such experiments, we made use of recent technological developments, such as the perforated diamond-anvil cell and in situ investigation using synchrotron x-ray sources. We have been particularly interested in using extreme pressures to alter the electronic structure of a solid prior to irradiation. We expected that the effects of modified band structure would be evident in the track structure and morphology, information which is much needed to describe theoretically the fundamental physics of track-formation. Finally, we investigated the behavior of different simple-oxide, composite nanomaterials (e.g., uncoated nanoparticles vs. core/shell systems) under coupled, extreme conditions. This provided insight into surface and boundary effects on phase stability under extreme conditions.

36 MATERIALS SCIENCE↗