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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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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Renormalization-group equations of the LEFT at two loops: dimension-six baryon-number-violating operators

We present the second part of a systematic calculation of the two-loop anomalous dimensions for the low-energy effective field theory below the electroweak scale (LEFT): the baryon-number-violating sector at dimension six in the power counting. We obtain the results in two different schemes: in the algebraically consistent ’t Hooft-Veltman scheme for γ 5 , corrected for evanescent as well as chiral-symmetry-breaking effects through finite renormalizations; and in naive dimensional regularization, which in the considered sector of the theory does not lead to any ill-defined γ 5 -odd traces. Our results are of interest for a reanalysis of the constraints on physics beyond the Standard Model from proton-decay searches within an EFT framework at next-to-leading-logarithmic accuracy.

Baryon/Lepton Number Violation↗
DOE OSTI2019

Importance of m N{sup 6}-methyladenosine (m{sup 6}A) RNA modification in cancer

RNA methylation, which was identified back in 1970s, has gained remarkable interest in recent years as it was shown to be a reversible modification involved in many cellular processes like mRNA and miRNA processing, mRNA localisation, translation suppression, or activation. These, in turn, affect important bioprocesses such as tissue development, sex determination, and DNA damage response. Important group of proteins are responsible for adding, recognizing, and removing the methyl group to and from the RNA molecules, which are referred as writers, readers, and erasers, respectively. If any of the processes is not strictly controlled, this can cause abnormalities in gene expression, which result in diseases including cancers such as lung, pancreas, glioblastoma, and breast cancer. Mechanisms of RNA methylation and its role in various cancer types and diagnostic methods for RNA methylation are discussed in this article.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2012

Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials

Polar crystals provide an interesting avenue for materials research both in the structures they form and the properties they possess. This work describes the hydrothermal synthesis and structural characterization of three novel silicate fluorides. Compound (1), LiY{sub 3}(SiO{sub 4}){sub 2}F{sub 2} crystallizes in space group C2/c, with a=17.651(4) A, b=4.8868(10) A, c=11.625(2) A and {beta}=131.13(3) Degree-Sign . BaY{sub 2}(Si{sub 2}O{sub 7})F{sub 2} (2) crystallizes in space group P-1, with a=5.1576(10) A, b=6.8389(14) A, c=11.786(2) A, {alpha}=93.02(3) Degree-Sign , {beta}=102.05(3) Degree-Sign and {gamma}=111.55(3) Degree-Sign . Finally, the structure of Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} (3) was determined in the polar orthorhombic space group Pba2, having unit cell parameters a=8.8864(18) A, b=12.764(3) A and c=5.0843(10) A. The structures are compared based on their building blocks and long range polarities. Aligned silicate tetrahedra segregated into a single layer in (3) impart the observed polarity. - Graphical abstract: The polar structure of Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5}. Highlights: Black-Right-Pointing-Pointer Natural yttrium silicate fluoride minerals are briefly reviewed. Black-Right-Pointing-Pointer The synthesis and structures of LiY{sub 3}(SiO{sub 4}){sub 2}F{sub 2}, BaY{sub 2}(Si{sub 2}O{sub 7})F{sub 2} and Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} are discussed. Black-Right-Pointing-Pointer Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} crystallizes in the polar space group Pba2. Black-Right-Pointing-Pointer Polarity occurs primarily through aligned silicate tetrahedra in a segregated layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites

Abstract Two-dimensional (2D) hybrid metal halide perovskites have emerged as outstanding optoelectronic materials and are potential hosts of Rashba/Dresselhaus spin-splitting for spin-selective transport and spin-orbitronics. However, a quantitative microscopic understanding of what controls the spin-splitting magnitude is generally lacking. Through crystallographic and first-principles studies on a broad array of chiral and achiral 2D perovskites, we demonstrate that a specific bond angle disparity connected with asymmetric tilting distortions of the metal halide octahedra breaks local inversion symmetry and strongly correlates with computed spin-splitting. This distortion metric can serve as a crystallographic descriptor for rapid discovery of potential candidate materials with strong spin-splitting. Our work establishes that, rather than the global space group, local inorganic layer distortions induced via appropriate organic cations provide a key design objective to achieve strong spin-splitting in perovskites. New chiral perovskites reported here couple a sizeable spin-splitting with chiral degrees of freedom and offer a unique paradigm of potential interest for spintronics.

42 ENGINEERING↗
DOE OSTI2022

Uncertainty-aware mixed-variable machine learning for materials design

Abstract Data-driven design shows the promise of accelerating materials discovery but is challenging due to the prohibitive cost of searching the vast design space of chemistry, structure, and synthesis methods. Bayesian optimization (BO) employs uncertainty-aware machine learning models to select promising designs to evaluate, hence reducing the cost. However, BO with mixed numerical and categorical variables, which is of particular interest in materials design, has not been well studied. In this work, we survey frequentist and Bayesian approaches to uncertainty quantification of machine learning with mixed variables. We then conduct a systematic comparative study of their performances in BO using a popular representative model from each group, the random forest-based Lolo model (frequentist) and the latent variable Gaussian process model (Bayesian). We examine the efficacy of the two models in the optimization of mathematical functions, as well as properties of structural and functional materials, where we observe performance differences as related to problem dimensionality and complexity. By investigating the machine learning models’ predictive and uncertainty estimation capabilities, we provide interpretations of the observed performance differences. Our results provide practical guidance on choosing between frequentist and Bayesian uncertainty-aware machine learning models for mixed-variable BO in materials design.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A new silicon phase with direct band gap and novel optoelectronic properties

Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. Additionally, this new allotrope displays large carrier mobility (~10 4 cm/V · s) at room temperature and a low mass density (1.71 g/cm 3 ), making it a promising material for optoelectronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Ultrafast spectroscopy of coherent phonon in carbon nanotubes using sub-5-fs visible pulses

In the last two decades, nano materials are attracting many scientists’ interest for both basic and application viewpoints. In order to understand the properties of nano systems it is needed to understand the dynamic properties which control the specific properties of the systems. All the primary processes in nano systems are taking place in femtosecond regime. Our group has been able to stably generate visible to near-infrared sub-5-fs laser pulses using a noncollinear optical parametric amplifier (NOPA) by the combination of various novel techniques including non-collinear optical parametric amplifier, pulse compression by a prism pair and grating pair. We apply the sub-5-fs pulses to study real-time coherent phonon in a one-dimensional system of carbon nanotubes. We determine exciton-phonon coupling mechanisms by observing the breathing mode in semiconducting carbon nanotubes and show the effect of electronic transition affected by the vibrational mode.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

K 2 Co 2 TeO 6 : A layered magnet with a S = 1 2 Co 2 + honeycomb lattice

Recent observations of Kitaev interactions in d 7 electron configurations have generated research interest in Co 2+ based honeycomb magnets. Here, we report the synthesis of a K 2 Co 2 TeO 6 single crystal. X-ray diffraction and electron microscopy experiments show that K 2 Co 2 TeO 6 crystallizes in a $P$6 3 /$mcm$ space group with undistorted honeycomb layers of Co 2+ ions. Anisotropic magnetic and thermodynamic characterizations demonstrate an effective S = $\frac{1}{2}$ state of Co 2+ at low temperature, competing magnetic phases, and weak magnetic transitions that can be suppressed by applying fields. Moreover, the interlayer K disorder level is tunable by thermal treatments, and it affects the magnetic features obviously. In conclusion, our findings provide a new and promising platform for studying Kitaev physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Generalized multipolaron expansion for the spin-boson model: Environmental entanglement and the biased two-state system

We develop a systematic variational coherent state expansion for the many-body ground state of the spin-boson model, in which a quantum two-level system is coupled to a continuum of harmonic oscillators. Energetic constraints at the heart of this technique are rationalized in terms of polarons (displacements of the bath states in agreement with classical expectations) and antipolarons (counter- displacements due to quantum tunneling effects). We present a comprehensive study of the ground state two-level system population and coherence as a function of tunneling amplitude, dissipation strength, and bias (akin to asymmetry of the double well potential defining the two-state system). The entanglement among the different environmental modes is investigated by looking at spectroscopic signatures of the bipartite entanglement entropy between a given environmental mode and all the other modes. We observe a drastic change in behavior of this entropy for increasing dissipation, indicative of the entangled nature of the environmental states. In addition, the entropy spreads over a large energy range at strong dissipation, a testimony to the wide entanglement window characterizing the underlying Kondo state. Lastly, comparisons to accurate numerical renormalization group calculations and to the exact Bethe Ansatz solution of the model demonstrate the rapid convergence of our variationally-optimized multi-polaron expansion, suggesting that it should also be a useful tool for dissipative models of greater complexity, as relevant for numerous systems of interest in quantum physics and chemistry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures

The half-Heusler filled tetrahedral structures (FTSs) are zinc-blende-like compounds, where an additional atom is filling its previously empty interstitial site. The FTSs having 18 valence electrons per formula unit are an emerging family of functional materials, whose intrinsic doping trends underlying a wide range of electronic functionalities are yet to be understood. Interestingly, even pristine compounds without any attempt at impurity/chemical doping exhibit intriguing trends in the free carriers they exhibit. Applying the first principles theory of doping to a few prototype compounds in the A IV B X C IV and A IV B IX C V groups, we describe the key ingredients controlling the materials’ propensity for both intrinsic and extrinsic doping: (a) The spontaneous deviations from 1:1:1 stoichiometry reflect predictable thermodynamic stability of specific competing phases. (b) Bulk ABC compounds containing 3d elements in the B position (ZrNiSn and ZrCoSb) are predicted to be naturally 3 d rich. The B = 3d interstitials are the prevailing shallow donors, whereas the potential acceptors (e.g., Zr vacancy and Sn-on-Zr antisite) are ineffective electron killers, resulting in an overall uncompensated n-type character, even without any chemical doping. In these materials, the band edges are “natural impurity bands” due to non-Daltonian off-stoichiometry, such as B interstitials, not intrinsic bulk controlled states as in a perfect crystal. (c) Bulk ABC compounds containing 5d elements in the B position (ZrPtSn, ZrIrSb, and TaIrGe) are predicted to be naturally C rich and A poor. This promotes the hole-producing C-on- A antisite defects rather than B-interstitial donors. The resultant p-type character (without chemical doping) therein is “latent” for C = Sn and Sb; however, as the C-on-A hole-producing acceptors are rather deep and p typeness is manifest only at high temperature or via impurity doping. In contrast, in TaIrGe (B = Ir, 5d), the prevailing hole-producing Ge-on-Ta antisite (C-on- A) is shallow, making it a real p-type compound. This general physical picture establishes the basic trends of carriers in this group of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetoelectric effect arising from a field-induced pseudo Jahn-Teller distortion in a rare-earth magnet

Magnetoelectric materials are attractive for several applications, including actuators, switches, and magnetic field sensors. Typical mechanisms for achieving a strong magnetoelectric coupling are rooted in transition metal magnetism. In sharp contrast, here we identify CsEr(MoO 4 ) 2 as a magnetoelectric material without magnetic transition metal ions, thus ensuring that the Er ions play a key role in achieving this interesting property. Our detailed study includes measurements of the structural, magnetic, and magnetoelectric properties of this material. Bulk characterization and neutron powder diffraction show no evidence for structural phase transitions down to 0.3 K and therefore CsEr(MoO 4 ) 2 maintains the room temperature P2/c space group over a wide temperature range without external magnetic field. These same measurements also identify collinear antiferromagnetic ordering of the Er 3+ moments below T N =0.87K. Complementary dielectric constant and pyroelectric current measurements reveal that a ferroelectric phase with a maximum polarization P~0.6 nC/cm 2 emerges when applying a modest external magnetic field, which indicates that this material has a strong magnetoelectric coupling. Finally, we argue that the magnetoelectric coupling in this system arises from a pseudo Jahn-Teller distortion induced by the magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

MO-E-18C-06: Enriching Medical Physics Education By Visualizing The Invisible

Purpose: To enhance the understanding of medical physics concepts and develop higher levels of learning relating to invisible physics phenomena such as radiation. To provide medical physics educators in all countries of the world with understanding of knowledge structures in the human brain, the different levels of learning, and the types of knowledge required for higher level functions such as problem solving, creative innovations, and applied clinical applications. To provide medical physics educators with an open access resource (tool) that they can use in their teaching activities to enrich and elevate the level of learning for their students, residents, etc. with respect to the invisible realm of medical physics. Methods: An experienced clinical medical physicist and educator has created and provided with open access three complementary web-based resources to achieve the purposes described above. One is a module focusing on the medical physics learning process with respect to mental knowledge structures, how they relate to outcomes and applications, and learning activities that are required to develop the required knowledge structures. The second is an extensive set of visuals that educators can use in their activities (classes, small group discussions, etc.) to visualize the invisible. The third is an interactive online simulation where learners can adjust factors and visually observe changes in x-radiation.These resources are available online at www.BLINDED FOR REVIEW . Results: Medical physics education, especially for non-physicists, is becoming much more interesting and useful especially with respect to invisible radiation. The global impact is that medical imaging professionals can be more effective in optimizing x-ray imaging procedures and risk management when they have knowledge levels that enhance problem solving, innovation, and creativity. Conclusion: Medical physics educators in all institutions can be much more effective and efficient in the sharing of their knowledge and experience when enhanced with high-quality visuals.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRS1983

Experimental study of segregation in plane front solidification and its relevance to iron meteorite solidification

A directional solidification technique was developed and applied to the problem of fractional crystallization of an iron meteorite parent body. Samples of Fe-Ni alloys close to meteorite compositions and containing S, P, and C were made. The solidified structures contain secondary phases such as sulphides within the proeutectic single crystal austenite (taenite). As a result of these experiments, we propose that the secondary phases observed in iron meteorites were formed during primary solidification of austenite (taenite). The measured composition profiles of Ni, P and C in the alloys were used to explain the elemental distribution within a chemical group of iron meteorites. An analytical procedure was applied to determine the equilibrium distribution coefficients as a function of fraction solidified for Ni and P from the composition profiles. The distribution coefficients of Ni and P agree with previous values. These distribution coefficients are of particular interest in the determination of the elemental distributions in iron meteorites.

Sellamuthu, R.↗
NASA NTRS1986

Studying flight crew behavior: A social psychologist encounters the real world

Considerable social psychological research has been conducted on the relationship between personality and performance in various occupational settings. Of special interest are situations where the performer is under pressure or the consequences of poor performance can be serious, as in aircraft operation. Some significant findings are summarized, including those related to Type A personality factors, achievement motivation factors, and attitude factors. Future research should focus on group behavior.

Helmreich, Robert L.↗
NASA NTRS1988

Digital avionics susceptibility to high energy radio frequency fields

Generally, noncritical avionic systems for transport category aircraft have been designed to meet radio frequency (RF) susceptibility requirements set forth in RTCA DO 160B, environmental conditions and test procedures for airborne equipment. Section 20 of this document controls the electromagnetic interference (EMI) hardening for avionics equipment to levels of 1 and 2 V/m. Currently, US equipment manufacturers are designing flight-critical fly-by-wire avionics to a much higher level. The US Federal Aviation Administration (FAA) has requested that the RTCA SC-135 high-energy radio frequency (HERF) working group develop appropriate testing procedures for section 20 of RTCA DO 160B for radiated and conducted susceptibility at the box and systems level. The FAA has also requested the SAE AE4R committee to address installed systems testing, airframe shielding effects and RF environment monitoring. Emitters of interest include radar (ground, ship, and aircraft) commercial broadcast and TV station, mobile communication, and other transmitters that could possibly affect commercial aircraft.

Larsen, William E.↗
NASA NTRS1993

Complex QSO absorbers: High-redshift clusters of galaxies?

Using the PSPC instrument on the ROSAT satellite, we have obtained deep exposures of the fields centered on the QSO's 1556+335, 1037-271, and 0854+191 in an effort to search for extended X-ray emission corresponding to complex QSO absorption-line systems (QALS's) that could be indicative of clusters of galaxies at high redshift. The QSO 1556+335 is known to have a pair of complicated C IV absorption systems at z equals 1.610 (Delta v = 988 km/s) and z equals 1.650 (Delta v = 1677 km/s) near the z equals 1.641 QSO redshift. It has been suggested that the absorption may be due to two rich clusters, one containing the QSO itself. The QSO 0854+191 (z(sub em) = 1.89) has 6 strong C IV absorption systems in 2 close groups at z equals 1.2954, 1.2973,1.3019 and z equals 1.3522, 1.3543, 1.3558. Assuming q(sub O) equals 0.5 and H(sub O) equals 50 km/s Mpc(exp -l), the redshift range of this absorption-line cluster corresponds to a radial distance of 44 Mpc. Interestingly, there is a nearby (approximately 30') QSO (0856+189) with a projected separation of 16 Mpc whose redshift (z = 1.29) is similar to that of the absorbing material toward 0854+191. In the case of 1037-271 (Z(sub em) = 2.18), common QALSs have been observed at z equals l.90, 1.96, 2.02, 2.08, and 2.14 (a radial range of 66 Mpc) in its spectrum and that of its neighbor Tol 1038-272 (Z(sub em) = 2.32) whose 18' separation corresponds to a linear distance of 9 Mpc at z approximately equals 2. The length scales implied by the absorbers toward 0854+191 and 1037-271 are interesting in that they suggest structures more akin to superclusters than clusters.

Meyer, David M.↗
NASA NTRS1997

Contracting Officer's Technical Representatives

The Breakout Session is a traditional conference instrument used by the NASA Occupational Health Program (OHP) as a method to convene people with common interests. Typically these sessions provide discussion of current topics of high priority and currency and allow multiple views and opinions to be shared and evaluated by all participants. Since the Contracting Officer's Technical Representatives (COTRs) occupy the technical focus of support contract management, this particular group, attended by 20 representatives, addressed issues and topics at the forefront of operational concerns.

Brisbin, Steve↗