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Results for “surface phase transitions”

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

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Phase transition kinetics and surface binding states of methylammonium lead iodide perovskite

We have presented a detailed analysis of phase transition kinetics and binding energy states of solution processed methylammonium lead iodide (MAPbI3) thin films prepared at ambient conditions and annealed at different elevated temperatures. The processing temperature and environmental conditions predominantly control the crystal structure and surface morphology of MAPbI3 thin films. The structural transformation from tetragonal to cubic occurs at 60C for 30 minutes annealing time while 10 minutes annelaed films posses tetragonal structure. The transformed phase is greatly intact even at higher annealing temperature of 150 C and time of 2 hours. Existence of charge transfer interaction between Pb 4f and I 3d oxidation states is quantified by the XPS spin orbit spilitting.

Kumar, G. R.↗
DOE OSTI2023

Enabling Structure/Interface Regulation for High Performance Ni-Rich Cathodes

Here, further commercialization of Ni-rich layered cathodes is hindered by severe structure/interface degradation and kinetic hindrance that occur during electrochemical operation, which leads to safety risks and reduced range in electric vehicles (EVs). Herein, by selecting elements with different solubility properties, a multifunctional strategy that synchronously fabricates perovskite-type SrZrO 3 coating and Sr/Zr co-doping is employed to strengthen the structure/interface stability and the Li + transport mobility of LiNi 0.85 Co 0.10 Mn 0.05 O 2 (NCM). Perovskite-type SrZrO 3 protective layers formed on the particle surface can substantially mitigate the unexpected interfacial side reactions and surface phase transitions. In addition, a robust crystal framework is constructed by optimizing local O coordination through the introduction of strong Zr-O bonds. Notably, Li + diffusion kinetics is effectively improved due to expanded cell parameters and O-Li-O slab spacing with the incorporation of large-diameter Sr pillar ions, as revealed by X-ray diffraction. As a result, the Sr/Zr-modified NCM achieves a remarkable capacity retention of 99.4% after 200 cycles at 1 C, and a high rate capacity of 168.9 mAh g -1 at 10 C. This work opens new avenues to develop high-performance NCM cathodes with high energy and high power for EVs with long calendar life.

25 ENERGY STORAGE↗
DOE OSTI2025

The joys and jitters of high‐temperature calorimetry

Abstract High‐temperature calorimetry (HTC) originated in the 20th century as a niche method to enable measurements not easily accomplished with acid solution calorimetry, combustion calorimetry, vapor pressure, or EMF methods. Over time, HTC has evolved into a versatile approach to accurately quantify formation, phase transition, surface and interfacial enthalpies of a wide range of materials including minerals and refractory inorganic compounds. This evolution has been the result of numerous adjustments to experimental setups and procedures, followed by rigorous testing. The commercial availability and the scientific success of this technique have led to an increase in the number of laboratories applying HTC. However, the knowledge acquired by researchers over the past 70 years is scattered throughout the literature or only available as laboratory internal documentation and personal experience. This publication is a collaborative effort among several leading HTC laboratories to summarize and unify current state‐of‐the‐art HTC techniques and procedures. The text starts by summarizing various HT techniques that are commonly used for readers with an interest in HTC in general. It is then directed toward HTC users and includes a brief section on data evaluation procedures as well as a comprehensive compilation of reference data utilizing molten sodium molybdate and lead borate solvents. Finally, for experienced HTC users, an in‐depth discussion of some common difficulties and a discussion of uncertainties are presented.

Scharrer, Manuel [Navrotsky Eyring Center for Mate↗
NASA NTRS2016

Conceptual Drivers for an Exploration Medical System

Interplanetary spaceflight, such as NASA's proposed three-year mission to Mars, provides unique and novel challenges when compared with human spaceflight to date. Extended distance and multi-year missions introduce new elements of operational complexity and additional risk. These elements include: inability to resupply medications and consumables, inability to evacuate injured or ill crew, uncharted psychosocial conditions, and communication delays that create a requirement for some level of autonomous medical capability. Because of these unique challenges, the approaches used in prior programs have limited application to a Mars mission. On a Mars mission, resource limitations will significantly constrain available medical capabilities, and require a paradigm shift in the approach to medical system design and risk mitigation for crew health. To respond to this need for a new paradigm, the Exploration Medical Capability (ExMC) Element is assessing each Mars mission phase-transit, surface stay, rendezvous, extravehicular activity, and return-to identify and prioritize medical needs for the journey beyond low Earth orbit (LEO). ExMC is addressing both planned medical operations, and unplanned contingency medical operations that meld clinical needs and research needs into a single system. This assessment is being used to derive a gap analysis and studies to support meaningful medical capabilities trades. These trades, in turn, allow the exploration medical system design to proceed from both a mission centric and ethics-based approach, and to manage the risks associated with the medical limitations inherent in an exploration class mission. This paper outlines the conceptual drivers used to derive medical system and vehicle needs from an integrated vision of how medical care will be provided within this paradigm. Keywords: (Max 6 keywords: exploration, medicine, spaceflight, Mars, research, NASA)

Antonsen, Erik↗
DOE OSTI2020

Two phase transitions driven by surface electron doping in WTe 2

WTe 2 is a multifunctional quantum material exhibiting numerous emergent phases in which tuning of the carrier density plays an important role. In this work, we demonstrate two nonmonotonic changes in the electronic structure of WTe 2 upon in situ electron doping. The first phase transition is interpreted in terms of a shear displacement of the top WTe 2 layer, which realizes a local crystal structure not normally found in bulk WTe 2 . The second phase transition is associated with stronger interactions between the dopant atoms and the host, both through hybridization and electric field. These results demonstrate that electron doping can drive structural and electronics changes in bulk WTe 2 with implications for realizing nontrivial band-structure changes in heterointerfaces and devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Effect of surface roughness on phase transition timing in megaampere pulsed-power–driven exploding conductors

An understanding of material phase transitions in megaampere pulsed-power–driven exploding conductors is important for predicting the growth of hydrodynamic instabilities in magneto-inertial fusion concepts. Here, this study analyzes phase transitions in electrical conductor explosions using 1D Lagrangian and 2D arbitrary Lagrangian–Eulerian resistive magnetohydrodynamic simulations to show that micrometer-scale surface roughness can lead to the electrothermal instability (ETI), a feedback effect that concentrates resistive heating and leads to early melting and ablation. Simulations of the Mykonos electrothermal instability II (METI-II) experiment show melting begins 19% sooner for machined rods with micrometer-scale surface roughness than for rods without these features. The surface magnetic field is 41 T around the initial region of melt, representing a lower magnitude than both the 86 T from 1D simulations and the 85 T threshold reported elsewhere. In 2D simulations with micrometer-scale surface roughness, temperature measurements indicate the critical point temperature of aluminum is reached 17% faster in comparison with 1D simulations. Values from 2D simulations with surface roughness align with predictions from ETI theory, and the observed temperature redistribution further supports the ETI as an underlying mechanism. Simulation results are validated against experimental photonic Doppler velocimetry data. This study shows 1D simulations are adequate to model conductors with sub-micrometer-scale surface roughness in this high-energy-density regime; however, 2D or 3D simulations are required to capture the full range of physics for accurately describing phase transitions in conductors with micrometer-scale or larger surface roughness.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Pressure-induced phase transitions of exposed curved surface nano-TiO{sub 2} with high photocatalytic activity

We report a unique phase transition in compressed exposed curved surface nano-TiO{sub 2} with high photocatalytic activity using in situ synchrotron X-ray diffraction and Raman Spectroscopy. High-pressure studies indicate that the anatase phase starts to transform into baddeleyite phase upon compression at 19.4 GPa, and completely transforms into the baddeleyite phase above 24.6 GPa. Upon decompression, the baddeleyite phase was maintained until the pressure was released to 6.4 GPa and then transformed into the α-PbO{sub 2} phase at 2.7 GPa. Together with the results of high-resolution transmission electron microscopy and the pressure-volume relationship, this phase transition's characteristics during the compression-decompression cycle demonstrate that the truncated biconic morphology possessed excellent stability. This study may provide an insight to the mechanisms of stability for high photocatalytic activity of nano-TiO{sub 2}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Rotation dynamics of C{sub 60} molecules in a monolayer fullerene film on the WO{sub 2}/W(110) surface near the rotational phase transition

The rotation dynamics of C{sub 60} molecules in monolayer fullerene films grown on the WO{sub 2}/W(110) surface is studied by scanning tunneling microscopy. The formation of molecule clusters, which have a high libron vibration amplitude, is detected near the rotational phase transition temperature. The energy parameters that determine a change in the molecule orientation, namely, the energy difference between the nearest minima of the C{sub 60} molecule energy (30 meV) as a function of the molecule orientation and the potential barrier between them (610 meV), are determined. The results are discussed in terms of the mean-field approximation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Application of temporal moments and other signal processing algorithms to analysis of ultrasonic signals through melting wax

Ultrasonic analysis is being explored as a way to capture events during melting of highly dispersive wax. Typical events include temperature changes in the material, phase transition of the material, surface flows and reformations, and void filling as the material melts. Melt tests are performed with wax to evaluate the usefulness of different signal processing algorithms in capturing event data. Several algorithm paths are being pursued. The first looks at changes in the velocity of the signal through the material. This is only appropriate when the changes from one ultrasonic signal to the next can be represented by a linear relationship, which is not always the case. The second tracks changes in the frequency content of the signal. The third algorithm tracks changes in the temporal moments of a signal over a full test. This method does not require that the changes in the signal be represented by a linear relationship, but attaching changes in the temporal moments to physical events can be difficult. This study describes the algorithm paths applied to experimental data from ultrasonic signals as wax melts and explores different ways to display the results.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Improved modeling of two-dimensional transitions in dense phases on crystalline surfaces. Krypton–graphite system

This paper presents a refined technique to describe two-dimensional phase transitions in dense fluids adsorbed on a crystalline surface. Prediction of parameters of 2D liquid–solid equilibrium is known to be an extremely challenging problem, which is mainly due to a small difference in thermodynamic functions of coexisting phases and lack of accuracy of numerical experiments in case of their high density. This is a serious limitation of various attempts to circumvent this problem. To improve this situation, a new methodology based on the kinetic Monte Carlo method was applied. The methodology involves analysis of equilibrium gas–liquid and gas–solid systems undergoing an external potential, which allows gradual shifting parameters of the phase coexistence. The interrelation of the chemical potential and tangential pressure for each system is then treated with the Gibbs–Duhem equation to obtain the point of intersection corresponding to the liquid/solid–solid equilibrium coexistence. The methodology is demonstrated on the krypton–graphite system below and above the 2D critical temperature. Using experimental data on the liquid–solid and the commensurate–incommensurate transitions in the krypton monolayer derived from adsorption isotherms, the Kr–graphite Lennard–Jones parameters have been corrected resulting in a higher periodic potential modulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Separate Surface and Bulk Topological Anderson Localization Transitions in Disordered Axion Insulators

In topological phases of matter for which the bulk and boundary support distinct electronic gaps, there exists the possibility of decoupled mobility gaps in the presence of disorder. This is in analogy with the well-studied problem of realizing separate or concomitant bulk-boundary criticality in conventional Landau theory. Using a three-dimensional axion insulator having clean, gapped surfaces with 𝑒 2 /2⁢ℎ quantized Hall conductance, we show that the bulk and surface mobility gap evolve differently in the presence of disorder. The decoupling of the bulk and surface topology yields a regime that realizes a two-dimensional, unquantized anomalous Hall metal in the Gaussian unitary ensemble on each surface, which shares some spectral and response properties akin to the surface states of a conventional 3D topological insulator. The generality of these results, as well as extensions to other insulators and superconductors, is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Controllable strain-driven topological phase transition and dominant surface-state transport in HfTe5

Abstract The fine-tuning of topologically protected states in quantum materials holds great promise for novel electronic devices. However, there are limited methods that allow for the controlled and efficient modulation of the crystal lattice while simultaneously monitoring the changes in the electronic structure within a single sample. Here, we apply significant and controllable strain to high-quality HfTe 5 samples and perform electrical transport measurements to reveal the topological phase transition from a weak topological insulator phase to a strong topological insulator phase. After applying high strain to HfTe 5 and converting it into a strong topological insulator, we found that the resistivity of the sample increased by 190,500% and that the electronic transport was dominated by the topological surface states at cryogenic temperatures. Our results demonstrate the suitability of HfTe 5 as a material for engineering topological properties, with the potential to generalize this approach to study topological phase transitions in van der Waals materials and heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Observation of band splitting and magnetically induced band structure reconstruction in TbTi 3 ⁢Bi 4

The magnetic kagome materials are a promising platform to study the interplay between magnetism, topology, and correlated electronic phenomena. Among these materials, the 𝑅⁢Ti 3 ⁢Bi 4 family received a great deal of attention recently because of its chemical versatility and wide range of magnetic properties. Here, we use angle-resolved photoemission spectroscopy measurements and density functional theory calculations to investigate the electronic structure of TbTi 3 ⁢Bi 4 in paramagnetic and antiferromagnetic phases. Our experimental results show the presence of unidirectional band splitting of unknown nature in both phases. In addition, we observed a complex reconstruction of the band structure in the antiferromagnetic phase. Furthermore, some aspects of this reconstruction are consistent with effects of additional periodicity introduced by the magnetic ordering vector, while the nature of several other features remains unknown.

Angle-resolved photoemission spectroscopy↗
DOE OSTI2015

Unconventional transformation of spin Dirac phase across a topological quantum phase transition

The topology of a topological material can be encoded in its surface states. These surface states can only be removed by a bulk topological quantum phase transition into a trivial phase. Here we use photoemission spectroscopy to image the formation of protected surface states in a topological insulator as we chemically tune the system through a topological transition. Surprisingly, we discover an exotic spin-momentum locked, gapped surface state in the trivial phase that shares many important properties with the actual topological surface state in anticipation of the change of topology. Using a spin-resolved measurement, we show that apart from a surface bandgap these states develop spin textures similar to the topological surface states well before the transition. Our results provide a general paradigm for understanding how surface states in topological phases arise from a quantum phase transition and are suggestive for the future realization of Weyl arcs, condensed matter supersymmetry and other fascinating phenomena in the vicinity of a quantum criticality.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

In-situ electron microscopy mapping of an order-disorder transition in a superionic conductor

Solid-solid phase transitions are processes ripe for the discovery of correlated atomic motion in crystals. Here, we monitor an order-disorder transition in real-time in nanoparticles of the super-ionic solid, Cu 2-x Se. The use of in-situ high-resolution transmission electron microscopy allows the spatiotemporal evolution of the phase transition within a single nanoparticle to be monitored at the atomic level. The high spatial resolution reveals that cation disorder is nucleated at low co-ordination, high energy sites of the nanoparticle where cationic vacancy layers intersect with surface facets. Time-dependent evolution of the reciprocal lattice of individual nanoparticles shows that the initiation of cation disorder is accompanied by a ~3% compression of the anionic lattice, establishing a correlation between these two structural features of the lattice. The spatiotemporal insights gained here advance understanding of order-disorder transitions, ionic structure and transport, and the role of nanoparticle surfaces in phase transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Dynamic non-reciprocal meta-surfaces with arbitrary phase reconfigurability based on photonic transition in meta-atoms

We introduce a distinct class of dynamic non-reciprocal meta-surfaces with arbitrary phase-reconfigurability. This meta-surface consists of an array of meta-atoms, each of which is subject to temporal refractive index modulation, which induces photonic transitions between the states of the meta-atom. We show that arbitrary phase profile for the outgoing wave can be achieved by controlling the phase of the modulation at each meta-atom. Moreover, such dynamic meta-surfaces exhibit non-reciprocal response without the need for magneto-optical effects. The use of photonic transition significantly enhances the tunability and the possible functionalities of meta-surfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗