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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Close-up view of the interplay between lattice distortions and charge density waves: Case study on rare-earth nickel carbides

Using variable temperature total x-ray scattering and large-scale structure modeling, we study the temperature and composition evolution of lattice distortions and charge density waves (CDWs) in the archetypal strongly correlated system RENi⁢ C 2 (RE=Dy, Tb, Gd, and Sm). Joint analysis of reciprocal and real space data reveals the presence of strong lattice distortions that, depending on the RE species and temperature, appear periodic or remain local, forming a complex CDW phase diagram. Apparently, the CDWs in RENi⁢ C 2 materials arise from a common to the system lattice instability involving diverse distortion modes that persist when magnetic order also sets in at very low temperature. In conclusion, the results support the notion that intrinsic lattice distortions are important to the emergence of exotic electronic phases in strongly correlated systems and call for their further investigation using the advanced approach adopted here.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Genesis and atomic structure of the charge density wave phase of 1T-VSe 2

Using variable temperature total x-ray scattering, we study the emergence of charge density wave (CDW) order in the archetypal transition-metal dichalcogenide (TMDC) 1⁢𝑇−VSe 2 . Here, we find that a CDW precursor phase (PF) appears at 𝑇 CDW⁡(PF) of 200(5) K, where V and Se atoms experience in- and out-of-plane static displacements from their position in the undistorted lattice, respectively. The displacements increase with decreasing temperature and a little-known superstructure of V triatomic clusters emerges below 𝑇 CDW⁡(3⁢D) of 100(5) K, where three-dimensional CDW order sets in. Concurrently, Se atoms form less well-defined dimers. Thus, similarly to other TMDCs, 1⁢𝑇−VSe 2 appears to exhibit a two-step CDW transition. The finding underlines the key contribution of lattice distortions to the emergence of CDW order in 1⁢𝑇−VSe 2 and generally in TMDCs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Phonons, magnons, and lattice thermal transport in antiferromagnetic semiconductor MnTe

The antiferromagnetic semiconductor MnTe has recently attracted attention for spintronics and high-performance thermoelectric applications. However, little is known about its vibrational and thermal transport properties and how these might relate to the electronic and magnetic structure, particularly as related to 3d Mn orbital correlations. Here, we calculate a physically justified Coulomb correlation parameter within the DFT+U framework. We couple this framework with the Heisenberg Hamiltonian and first-principles Boltzmann transport to understand the magnetic, vibrational, and phonon thermal transport properties of MnTe. We also perform inelastic neutron and nuclear inelastic x-ray scattering measurements of the total and partial phonon density of states, respectively. Very good agreement is obtained with the measured and calculated phonon density of states, and with available measurements for the band gap, local magnetic moments, Néel temperature, magnon dispersion, thermal conductivity, and phonon dispersion. Here, this study demonstrates that the vibrational and magnetic degrees of freedom are not strongly coupled in MnTe, and provides a more comprehensive picture of this technologically promising material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Structural phase diagram for Sm-substituted BiFeO 3 multiferroics

The structural evolution of Sm substituted BiFe⁢O 3 is studied by total x-ray scattering and structure modeling. It is shown that the crystal structure changes from polar to antipolar and then to nonpolar when the Sm to Bi ratio in the material approaches 20% and 40%, respectively, with no intermixing between the structure types. The evolution is driven by lattice strain induced by the difference in the size of Sm and Bi atoms, leading to changes in the pattern of octahedral tilts and Bi off-centering, which, in turn, induce changes in the multiferroic properties. Furthermore, the substitution ratio at which the different structure types emerge appears to be tied up with the average radius of the atomic species occupying the Bi sites in the perovskite lattice and volume occupied by a formula unit, rendering both quantities useful predictor variables for guiding computational searches for substituted BiFe⁢O 3 multiferroics with improved functional properties.

Ferroelectricity↗
DOE OSTI2025

Dynamical Scaling Reveals Topological Defects and Anomalous Evolution of a Photoinduced Phase Transition

Nonequilibrium states of quantum materials can exhibit exotic properties and enable unprecedented functionality and applications. These transient states are inherently inhomogeneous, characterized by the formation of topologically protected structures, requiring nanometer spatial resolution on femtosecond timescales to resolve their evolution. Using ultrafast total x-ray scattering at a free electron laser and a sophisticated scaling analysis, we gain unique access to the dynamics on the relevant mesoscopic length scales. Our results provide direct evidence that ultrafast excitation of LaTe 3 leads to formation of topological vortex strings of the charge density wave. These dislocations of the charge density wave exhibit anomalous, subdiffusive dynamics, slowing the equilibration process, providing rare insight into the nonequilibrium mesoscopic response in a quantum material. Our findings establish a general framework to investigate properties of topological defects, which are expected to be ubiquitous in nonequilibrium phase transitions and may arrest equilibration and enhance competing orders.

Orenstein, Gal [SLAC National Accelerator Laborato↗
DOE OSTI2017

Measurement of O and Ti atom displacements in TiO 2 during flash sintering experiments

In-situ flash experiments on rutile TiO 2 were performed at the synchrotron at the Brookhaven National Laboratory. Pair distribution function analysis of total X-ray scattering measurements yielded mean-square atomic displacements of oxygen and titanium atoms during the progression of the 3 stages of flash. The displacements are measured to be far greater for oxygen atoms than for titanium atoms. Thus, these large displacements may signal an “elastic softening” of the lattice, which, recently, has been predicted as a precursor to the onset of flash.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Final Scientific/Technical Report

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 this 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.

58 GEOSCIENCES↗
DOE OSTI2021

Improved temperature control for measuring the humidity dependence of aerosol optical properties

Aerosols impact climate and cloud formation by their ability to take up water, which leads to changes in their optical properties. To better characterize the interactions of aerosol with water vapor, a humidification section has been added to the Cavity Attenuation Phase-shift Spectrometry (CAPS) instrument. The CAPS is a diode based method that provides simultaneous measurements of both aerosol total optical extinction and scattering in real-time. We are improving the humidity controlled sample line with new temperature controls. The current system suffers from particlelosses and poorly controlled humidity profiles, both of which were corrected for in the systems redesign. This improved wet-CAPS system has been integrated with a dry-CAPS to simultaneously measure the wet and dry aerosol optical properties. The two CAPS monitors were operated in a dry collection mode to ensure there were no biases between the instruments. Initial calibrations and data were collected to test the functionality of the dual CAPS system (wet + dry). The new two channel CAPS system improves our ability to measure the effects of humidity on aerosol optical properties.

58 GEOSCIENCES↗
DOE OSTI2022

Experiments for validation of TSL evaluations [Slides]

There is a recent revival of thermal scattering evaluation capabilities and there are many new evaluations available in ENDF-8.0 and elsewhere. This creates a need for experimental validation other than criticality benchmarks. Thermal scattering libraries (TSL) provide information to describe the double differential thermal scattering at different moderator temperatures. For moderators, the biggest effect of TSL is the thermal scattering cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Dynamical Scaling Reveals Topological Defects and Anomalous Evolution of a Photoinduced Phase Transition

Nonequilibrium states of quantum materials can exhibit exotic properties and enable unprecedented functionality and applications. These transient states are inherently inhomogeneous, characterized by the formation of topologically protected structures, requiring nanometer spatial resolution on femtosecond timescales to resolve their evolution. Using ultrafast total x-ray scattering at a free electron laser and a sophisticated scaling analysis, we gain unique access to the dynamics on the relevant mesoscopic lengthscales. Our results provide direct evidence that ultrafast excitation of LaTe$_3$ leads to formation of topological vortex strings of the charge density wave. These dislocations of the charge density wave exhibit anomalous, subdiffusive dynamics, slowing the equilibration process, providing rare insight into the nonequilibrium mesoscopic response in a quantum material. Our findings establish a general framework to investigate properties of topological defects, which are expected to be ubiquitous in nonequilibrium phase transitions and may arrest equilibration and enhance competing orders.

FOS: Physical sciences↗
NASA NTRS1974

Geological study of the southern part of the Malagasy republic using ERTS orbital images

The author has identified the following significant results. The Malagasy stratigraphy and tectonic are very complex, but the results obtained using ERTS-1 images interpretation make credible some hypothesis recently proposed by geologists. Most of known fractures are identified and numerous new observations are made on these images in the field of linear fractures. Some of them extend or relay known fractures and many others are totally new even if scattered field observations make it possible to assume that they correspond to reality. In the domain of lithology different types of rocks are distinguished, but the results are better in sedimentary formations than in the basement.

Weecksteen, G.↗
NASA NTRS1975

Evaluation of the dual differential radiometer for remote sensing of sediment and chlorophyll in turbid waters

The dual differential radiometer (DDR) was tested to determine its capability for measuring suspended sediment and chlorophyll in turbid waters. Measurements were obtained from a boat dock and from a helicopter with combinations of sample and reference filters with peak transmissions at various wavelengths. Water samples were taken concurrently and were analyzed for light scattering, particle count, and total chlorophyll. Least-squares estimates of the linear relationship between DDR output and the water parameters yielded correlation coefficients of less than 0.7. Under the turbid water conditions of the present tests, the DDR did not accurately measure either suspended sediment or chlorophyll. A precise knowledge of the spectral signatures of various pollutants might enable appropriate filters to be selected for tuning the DDR to monitor a particular pollutant.

Witte, W. G.↗
NASA NTRS1992

Multi-wavelength Airborne Lidar Intercomparisons of Aerosol and Cirrus Backscatter over the Pacific Ocean

Airborne CO2 and Nd:YAG lidar instruments were flown on the NASA DC-8 research aircraft during two extended missions over the Pacific. The objectives during these flights were to characterize aerosol backscatter levels at infrared wavelengths in relatively pristine regions of the troposphere, and to observe cloud effects on lidar signals. In addition, the three wavelength Nd:YAG data were processed using independent temperature profile information, in order to deduce the Rayleigh scattering component of the total backscatter at each wavelength. The data can be used to better understand the capabilities of various airborne or Earth-orbiting lidar designs to provide backscatter information from aerosols and clouds, or to provide Doppler or DIAL information from aerosol and cloud backscatter.

Menzies, Robert T.↗
NASA NTRS1994

Thermodynamic effect of the ion sound instability in the ionosphere

During geomagnetic disturbances when the ring current interacts intensely with the plasmasphere, the plasma of this region undergoes a strong heating due to an ion cyclotron instability. This is followed by the transfer of heat along geomagnetic field lines from the heating region to the ionosphere. One of the results of this process is the formation of non-isothermal region (in which T(sub e) greater than 3.4 T(sub i) at ionospheric heights) caused by a rapid cooling the H(+) ions due to their resonant charge exchange with neutral hydrogen. Heat transfer from the top of the flux tube to the ionosphere is investigated using a hydrodynamic model for the ionosphere-plasmasphere coupling. Field-aligned currents, present in the topside ionosphere, are often accompanied by ion sound turbulence. The turbulence scatters electrons, increasing the total electron collision frequency through wave-particle effects. The influence of wave-particle interactions introduces an anomalous component to the total collision frequency, which modifies substantially the heat conduction coefficient of the plasma. As a result, the plasma is heated more intensely above than below this region of ion sound turbulence.

Khazanov, G. V.↗
NASA NTRS1997

Global Transport of Aerosol and CO: Initial 3-D Simulations of MAPS, TOMS, and AVHRR

Carbon monoxide concentrations and aerosol properties provide the tracers of global tropospheric perturbation by humankind that are most easily observed from satellite platforms. Aircraft field observations are additionally needed for us to simulate and understand the patterns observed. We report on our accumulating experience in making detailed, situation-specific, 3-D simulations of these tropospheric constituents as observed from the MAPS CO sensor, the Advanced Very High Resolution Radiometer (AVHRR) aerosol scattering data, and the Total Ozone Mapping Spectrometer (TOMS) absorbing-aerosol information. We have found a strong complimentarity of satellite and aircraft data in this effort, and recommend modelers use: (1) satellite data to pose initial questions; (2) aircraft data for modelers' first detailed simulations; and (3) a return to satellite data for global generalization. This work provides one example. Our main tools are the MM5 numerical model for meteorological assimilation and GRACES, our NASA Ames tracer-chemistry model, which incorporates emissions estimates. We report on several six-week simulations of global biomass burning effects as observed in the MAPS October 1994 dataset, and show the usefulness of two aircraft datasets, the TRACE-A (1992) and PEM-Tropics missions of NASA's Global Tropospheric Experiment. Additional information is contained in the original extended abstract.

Chatfield, Robert B.↗
NASA NTRS2011

Receiver Signal to Noise Ratios for IPDA Lidars Using Sine-wave and Pulsed Laser Modulation and Direct Detections

Integrated path differential absorption (IPDA) lidar can be used to remotely measure the column density of gases in the path to a scattering target [1]. The total column gas molecular density can be derived from the ratio of the laser echo signal power with the laser wavelength on the gas absorption line (on-line) to that off the line (off-line). 80th coherent detection and direct detection IPDA lidar have been used successfully in the past in horizontal path and airborne remote sensing measurements. However, for space based measurements, the signal propagation losses are often orders of magnitude higher and it is important to use the most efficient laser modulation and detection technique to minimize the average laser power and the electrical power from the spacecraft. This paper gives an analysis the receiver signal to noise ratio (SNR) of several laser modulation and detection techniques versus the average received laser power under similar operation environments. Coherent detection [2] can give the best receiver performance when the local oscillator laser is relatively strong and the heterodyne mixing losses are negligible. Coherent detection has a high signal gain and a very narrow bandwidth for the background light and detector dark noise. However, coherent detection must maintain a high degree of coherence between the local oscillator laser and the received signal in both temporal and spatial modes. This often results in a high system complexity and low overall measurement efficiency. For measurements through atmosphere the coherence diameter of the received signal also limits the useful size of the receiver telescope. Direct detection IPDA lidars are simpler to build and have fewer constraints on the transmitter and receiver components. They can use much larger size 'photon-bucket' type telescopes to reduce the demands on the laser transmitter. Here we consider the two most widely used direct detection IPDA lidar techniques. The first technique uses two CW seeder lasers, one on-line and one offline that are intensity modulated by two different frequency sine-waves signals before being amplified by a common laser amplifier. The receiver uses narrowband amplitude demodulation, or lock-in, Signal processing at the given laser modulation frequencies [3,4]. The laser transmitter operates in a quasi CW mode with the peak power equal to twice the average power. The on-line and off-line lasers can be transmitted at the same time without interference. Another direct detection technique uses a low duty cycle pulsed laser modulation [5,6] with the laser wavelengths alternating between on-line and off-line on successive pulses. The receiver uses time resolved detection and can also provide simultaneous target range measurement. With a lower laser duty cycle it requires a much higher peak laser power for the same average power.

Sun, Xiaoli↗
NASA NTRS2018

Overview of Methods for Deriving the Radiative Transfer Theory from the Maxwell Equations. I: Approach Based on the Far-Field Foldy Equations

In this paper, we revisit, with further enhancements and clarifications, the self-consistent first-principles approach developed previously for deriving the vector radiative transfer theory for a discrete random medium with a sparse concentration of particles. We specifically consider the case of a plane-parallel particulate layer embedded in an otherwise homogeneous unbounded medium. The solution method is based on the far-field Foldy equations, an order-of-scattering expansion for the total field derived under the Twersky approximation, the computation of the coherent field by assuming that the positions of the particles are uncorrelated, and the ladder approximation for the coherency dyadic. The latter yields an integral equation for the diffuse specific coherency dyadic, defined through an angular spectrum repre- sentation for the coherency dyadic, which in turn, gives the vector radiative transfer equation for the diffuse specific intensity column vector. We analyze specifically the computation of the coherent field for inhomogeneous particulate media and multiple species of particles, the continuous extension of the far-field representation to the near field, the Foldy approximation, and the Foldy integral equation for the coherent field. Finally, we discuss the transition from the vector to the scalar radiative transfer equation.

Doicu, Adrian↗