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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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NASA NTRS1986

Alexandrite laser source for atmospheric lidar measurements

During the past years, there has been a marked increase in interest in the applications of vibronic solid state lasers to meteorology and atmospheric physics. Two airborne lidar programs are now under development in France. The differential absorption lidar (DIAL) method with vibronic solid state lasers is very attractive for water vapor, temperature and pressure measurements. Alexandrite laser and titanium-sapphire are both suitable for these applications. However, only alexandrite rods are commercially available. The requirements on the laser source for airborne dial applications are two fold: (1) a restriction on laser linewidth and a requirement on stability and tunability with a good spectral purity; and (2) a requirement on the time separation between the two pulses. These constraints are summarized.

Pelon, J.↗

DOE OSTI2026

Planar Systems for Quantum Information

This project aims to develop two‐dimensional (2D) moiré materials as a quantum simulator to implement model Hamiltonians and their phase diagrams. Progress in quantum information science (QIS) requires the development of advanced quantum materials systems. The rich family of layered van der Waals materials and their heterostructures present opportunities to create previously unrealized types of applications for QIS. Specifically, when two layers of van der Waals materials are overlaid with a small twist angle or/and lattice mismatch, a moiré superlattice with a period of about ten nanometers is formed. This provides a periodic trapping potential for electrons. Electrons can tunnel between the traps and repel each other by their mutual Coulomb interactions. The platform of 2D moiré materials provides many attractive features, including tunability of length and energy scales, charge density, and even lattice symmetry. It presents new possibilities for realizing quantum simulation of the many-body physics in a solid-state platform. This integrated team of six investigators seeks to develop relevant theoretical treatments to link ab-initio studies of 2D moiré materials to model Hamiltonians and to evaluate correlated phases predicted by these model Hamiltonians in the relevant regimes. On the experimental side, the team aims to develop methods to realize a homogeneous and highly controlled potential landscape for the electrons and to initiate, protect, and measure their quantum many-body states.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Solid-state Precipitation in Molecular Dynamics: KMC-MD Hybrid Simulations

A critical drawback of molecular dynamics (MD) simulations when modeling physical properties is the limitation to short timescales. Solid state precipitation is one behavior that is not significantly observable at timescales accessible to MD, and thus has been difficult to simulate at an MD scale. Taking inspiration from Kinetic Monte-Carlo (KMC) methods for simulating diffusion on a rigid lattice, we have developed a hybrid KMC-MD approach to enable simulation of solid-state precipitation during MD simulation implemented in LAMMPS. This method incorporates the atomic neighbor hopping behavior utilized by KMC simulations into a MD simulation with a variable local lattice configuration. By accelerating nearest-neighbor atomic hopping with this technique, solid-state precipitation can be observed at an MD timescale. Utilizing theory based on persistent-embryo methods for liquid-solid precipitation in MD we demonstrate the calculation of critical nucleus size for the gamma’ precipitation out of gamma phase in the Ni-Al system.

Molecular Dynamics↗

NASA NTRSDate not supplied

Solid-state Precipitation in Molecular Dynamics: kMC-MD Hybrid Simulations

Molecular Dynamics↗

DOE OSTI2026

Pixel response characterization of the ARCADIA fully depleted MAPS

Monolithic Active Pixel Sensors (MAPS) achieved widespread use in several scientific applications, thanks to their properties, such as low material budget and high granularity. The ARCADIA INFN project developed a Fully-Depleted MAPS (FD-MAPS), using a modified LFoundry 110 nm CIS process. This work presents the first laboratory characterization of the ARCADIA MD3 prototype. Measurements include threshold uniformity studies using both test-pulse injection and a 55 Fe source, as well as threshold and noise calibration achieved thanks to monochromatic X-ray sources. Ultimately, charge-collection efficiency is evaluated using an infrared laser setup.

Particle tracking detectors↗

DOE OSTI2025

Non-Markovian dynamics of a superconducting qubit in a phononic bandgap

Reducing decoherence in quantum computers rapidly decreases the overhead needed to construct a logical qubit from physical qubits. In solid-state systems, a class of defects known as two-level systems is a major source of decoherence. Currently, superconducting qubit experiments reduce dissipation due to the two-level systems by using large device dimensions. However, this approach only provides partial protection and results in a trade-off between qubit size and dissipation. In this work, we instead engineer the interactions between a qubit and the surrounding two-level systems using phononics. We fabricate a superconducting qubit on a phononic-bandgap metamaterial that suppresses phonon emission mediated by the two-level systems. The phonon-engineered bath of two-level systems shows increased lifetime and affects the thermalization dynamics of the qubit. Within the phononic bandgap, we observe the emergence of a non-Markovian qubit behaviour. Further, combined with qubit miniaturization, our approach could substantially extend the qubit relaxation times.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Angular momentum eigenstates of the isotropic 3-D harmonic oscillator: Phase-space distributions and coalescence probabilities

The isotropic 3-dimensional harmonic oscillator potential can serve as an approximate description of many systems in atomic, solid state, nuclear, and particle physics. In particular, the question of 2 particles binding (or coalescing) into angular momentum eigenstates in such a potential has interesting applications. Here we compute the probabilities for coalescence of two distinguishable, non-relativistic particles into such a bound state, where the initial particles are represented by generic wave packets of given average positions and momenta. We use a phase-space formulation and hence need the Wigner distribution functions of angular momentum eigenstates in isotropic 3-dimensional harmonic oscillators. These distribution functions have been discussed in the literature before but we utilize an alternative approach to obtain these functions. Along the way, we derive a general formula that expands angular momentum eigenstates in terms of products of 1-dimensional harmonic oscillator eigenstates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1984

Ccds: Their Cause and Cure

Charge coupled devices (CCDs) have opened new horizons in the optical astronomy. Most of the presently existing astronomical CCD systems are oriented and designed primarily for work on faint objects. The use of CCDs for high precision work on bright objects remains to be explored. Issues and problems specific to (CCDs) are covered in detail. The important structural characteristics of CCDs are that they are integrating, self scanned, photon counting (one selection for each detected photon), solid state devices. The typical physical sizes are of the order of 1 - 3 cm, and typical raster formats of 500x500 pixels (TI), 320x512 (RCA), 385x576 (GEC), 800x800 (TI), and 1500x1500 (GEC) should be available soon. Typical (and optimal) operating temperatures are around -100 C, with liquid N2 as the most common coolant. Some CCDs are physically warped. This causes focus variations across the surface, which amount to a spatially variable PSF. Other relevant properties of CCDs as detectors and a comparison with some other astronomical detectors are given.

Djorgovski, S.↗

NASA NTRS1995

The shape of spectral lines: The importance of the far wings

Spectroscopy, the study of the interaction of radiation and matter, provides most of the information we have gleaned about the composition, structure, and evolution of the universe. As is well known, by measuring the frequencies of spectral lines in absorption or emission, one can uniquely infer the presence of atoms or molecules as well as their physical state and environment (e.g., solid or gaseous, neutral or ionized, moving or stationary, etc.). Furthermore, by studying the intensities of these lines, one can determine the abundance (i.e., number of a particular species per unit volume). Although less well known, the shape of the spectral lines, in particular, the structure of the far wings, plays a very important role in many important atmospheric phenomena such as the greenhouse effect or the absorption of harmful ultraviolet radiation. Although first measured more than 50 years ago, the anomalous absorption of radiation by water vapor in the earth's atmosphere was postulated to be due to far wings of allowed lines. However, only within the past few years has a quantitative verification of this hypothesis been possible through the development of an accurate theoretical description of the shape of self-broadened water lines. During the summer, work has been done on improving this theory and in comparing the results to other theories valid near the center of the lines. The relevance of this work to measurements of greenhouse gases, of earth-based measurements of the 3 K cosmic background radiation, of satellite-based measurements of the atmospheres of the earth and other planets, and other similar problems will be discussed briefly.

Tipping, Richard↗

DOE OSTI2023

Shedding Light on the Deactivation Pathways of a CrOx/Al2O3 Dehydrogenation Catalyst with Emission Spectroscopy

In comparison to traditional methods that focus on signal loss and disappearance of the Cr2O3 spectral features, this work presents a niche approach to direct detection of the onset and acceleration of Cr3+ solid state diffusion; a critical physical deactivation pathway that limits the lifetime of the CrOx/Al2O3 propane dehydrogenation catalyst used in the commercial Catofin process.

25 ENERGY STORAGE↗

DOE OSTI2022

Radiation hard Ga 2 O 3 detectors for high energy physics

In this project, we explore the use of ultra-wide bandgap Ga 2 O 3 materials for fabricating next-generation radiation hard solid-state detectors for high energy physics (HEP) applications. As an emerging semiconductor, Ga 2 O 3 has ultra-wide bandgap (4.5-4.9 eV), high breakdown electric field (8 MV/cm) and much lower production cost compared with radiation hard diamond detectors, all of which make Ga 2 O 3 a great candidate material working in harsh radiation environment of future HEP experiments. The recent breakthrough of growth technologies of Ga 2 O 3 significantly improves the availability of large area single crystalline Ga 2 O 3 . We focus on an early proof-of-principle demonstration of Ga 2 O 3 detectors and conduct comprehensive material and detector characterization to evaluate the potential of the emerging Ga 2 O 3 as a new radiation-hard detector material. Our endeavors directly support the instrumentation development and update need of HEP experiments and fits very well into the DOE HEP “Detector R&D” research subprogram.

36 MATERIALS SCIENCE↗

NASA NTRS1972

Development of a 20-W solid-state S-band power amplifier

As an alternative to the use of traveling wave tube amplifiers in spacecraft with long life mission requirements, a solid state S band amplifier was developed. A solid state amplifier with an output of 20 W at 2295 MHz, a dc/RF efficiency of 38%, and a gain of 27 dB was developed. The physical and electrical performance of the solid state amplifier are described.

Vandercapellen, A. G.↗

DOE OSTI2025

Direct measurement of the quantum metric tensor in solids

The quantum metric tensor is a central geometric quantity in modern physics that is defined as the distance between nearby quantum states. Despite numerous studies highlighting its relevance to fundamental physical phenomena in solids, measuring the complete quantum metric tensors in real solid-state materials is challenging. In this work, we report a direct measurement of the full quantum metric tensors of Bloch electrons in solids using black phosphorus as a representative material. We extracted the momentum space distribution of the pseudospin texture of the valence band from the polarization dependence of angle-resolved photoemission spectroscopy measurement. Our approach is poised to advance our understanding of quantum geometric responses in a wide class of crystalline systems.

Kim, Sunje↗

DOE OSTI2021

Integrated Multiscale Modeling for Design of Robust 3D Solid-State Lithium Batteries - FY21 Annual Report

This project is developing a multiscale, multi-physics modeling framework for probing the effects of materials microstructure and device architecture on ion transport within 3D ceramic solid-state battery materials, with the goal of enhancing performance and reliability. The project has three primary objectives: (1) integrate multi physics and multiscale model components; (2) understand interface- and microstructure-derived limitations on ion transport; and (3) derive key structure-performance relations for enabling future optimization.

25 ENERGY STORAGE↗

DOE OSTI2025

Gate control of electron correlations towards Mott field effect transistors (MottFET)

The modulation of channel conductance in field-effect transistors (FETs) via metal-insulator-semiconductor structures has revolutionized information processing and storage. However, the limitations of silicon-based FETs in electrical switching have driven the search for new materials capable of overcoming these constraints. Electrostatic gating of competing electronic phases in a Mott material near its metal-to-insulator transition (MIT) offers the prospects of substantial modulation of the conducting electrons and electrical resistivity through small changes in band filling. While electrostatic control of the MIT has been previously reported, the advancement of Mott materials toward novel Mott-based transistors, MottFETs requires the realization of their unique physical properties in a solid-state device. In this study, we present gate control of electron correlation using a solid-state device utilizing the oxide Mott system La 1-x Sr x VO 3 as a correlated FET channel. We report on a gate resistance response that cannot be explained in a purely electrostatic framework. This behavior suggests an enhancement in effective mass and a reduction in effective carrier density as the system approaches its insulating state, consistent with theoretical predictions for Mott systems, suggesting at least 100× charge gain originating from the correlated behavior. These preliminary results pave the way toward the development of highly efficient, low-power electronic devices that could surpass the performance bottlenecks of conventional FETs by leveraging the electronic phase transitions of correlated electron systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Beam test performance studies of CMS Phase-2 Outer Tracker module prototypes

A new tracking detector will be installed as part of thePhase-2 upgrade of the CMS detector for the high-luminosity LHC era.This tracking detector includes the Inner Tracker, equipped withsilicon pixel sensor modules, and the Outer Tracker, consisting ofmodules with two parallel stacked silicon sensors. The Outer Trackerfront-end ASICs will be able to correlate hits from chargedparticles in these two sensors to perform on-module discriminationof transverse momenta (p$_{T}$). The p$_{T}$information is generated at a frequency of 40 MHz and will be usedin the Level-1 trigger decision of CMS. Prototypes of theso-called 2S modules were tested at the Test Beam Facility at DESYHamburg between 2019 and 2020. These modules use the finalfront-end ASIC, the CMS Binary Chip (CBC), and for the firsttime the Concentrator Integrated Circuit (CIC), optical readoutand on-module power conversion. In total, seven modules were tested,one of which was assembled with sensors irradiated with protons. Animportant aspect was to show that it is possible to read out modulessynchronously. A cluster hit efficiency of about 99.75 % wasachieved for all modules. The CBC p$_{T}$ discriminationmechanism has been verified to work together with the CIC andoptical readout. The measured module performance meets therequirements for operation in the upgraded CMS tracking detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Effect of static local distortions vs. dynamic motions on the stability and band gaps of cubic oxide and halide perovskites

Ternary ABX 3 perovskites made of corner-sharing BX 6 octahedra have long featured prominently in solid-state chemistry and condensed matter physics. Still, the joint understanding of their two main subgroups—halides and oxides—has not been fully developed. Indeed, unlike the case in simpler compounds having a single, robust repeated motif (“monomorphous”), certain cubic perovskites can manifest a non-thermal (= intrinsic) distribution of local motifs (“polymorphous networks”). Such static deformations can include positional degrees of freedom (e.g., atomic displacements and octahedral tilting) or magnetic moment degrees of freedom in paramagnets. Unlike thermal motion, such static distortions do not time-average to zero, being an expression of the intrinsic symmetry breaking preference of the chemical bonding. Here, the present study compares electronic structure features of oxide and halide perovskites starting from the static polymorphous distribution of motifs described by Density Functional Theory (DFT) minimization of the internal energy, continuing to finite temperature thermal disorder modeled via finite temperature DFT molecular dynamics. We find that (i) different oxide vs. halide ABX 3 compounds adopt different energy-lowering symmetry-breaking modes. The calculated pair distribution function (PDF) of SrTiO 3 from the first-principles agrees with recently measured PDF. (ii) In both oxides and halides, such static distortions lead to band gap blueshifts with respect to undistorted cubic Pm-3m structure. (iii) For oxide perovskites, high-temperature molecular dynamics simulations initiated from the statically distorted polymorphous structures reveal that the thermally-induced distortions can lead to a band gap redshift. (iv) In contrast, for cubic halide perovskite CsPbI 3 , both the intrinsic distortions and the thermal distortions contribute in tandem to band gap blueshift, the former, intrinsic effect being dominant. (v) In the oxide SrTiO 3 and CaTiO 3 (but not in halide) perovskites, octahedral tilting leads to the emergence of a distinct Γ–Γ direct band gap component as a secondary valley minimum to the well-known indirect R–Γ gap. Understanding such intrinsic vs. thermal effects on oxide vs. halide perovskites holds the potential for designing target electronic properties.

36 MATERIALS SCIENCE↗

DOE OSTI2023

The emerging field of block copolymer self-assembly-directed quantum materials

The area of functional materials derived from block copolymers (BCPs) as structure-directing agents for various inorganic materials has seen substantial growth as a result of the immense scientific as well as technological promise associated with such hybrid materials. Further, the convergence of BCP self-assembly with the fast-growing field of quantum materials now promises solution-based synthetic approaches to classes of materials that to date are dominated by stringent high-vacuum physical deposition techniques and bulk solid state chemical reactions. Moreover, the ensuing periodic nano- and mesostructures, a characteristic of BCP self-assembly, offer a unique platform for manipulating quantum-level properties, in turn resulting in substantial changes of macroscopic properties. This article will make a case for, review the existing work of, and provide our perspectives on this emerging field of block copolymer self-assembly directed quantum materials.

36 MATERIALS SCIENCE↗