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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Identification of major matrix metalloproteinase-20 proteolytic processing products of murine amelogenin and tyrosine-rich amelogenin peptide using a nuclear magnetic resonance spectroscopy based method

Objective: The aim of this study was to identify major matrix metalloproteinase-20 (MMP20) proteolytic processing products of amelogenin over time and determine if the tyrosine-rich amelogenin peptide (TRAP) was a substrate of MMP20. Design: Recombinant 15N-labeled murine amelogenin and 13C,15N-labeled TRAP were incubated with MMP20 under conditions where amelogenin self-assembles into nanospheres. Digestion products were fractionated by reverse-phase high-performance liquid chromatography at various time points. Product identification took advantage of the intrinsic disorder property of amelogenin that results in little change to its fingerprint 1H-15N heteronuclear single-quantum coherence nuclear magnetic resonance spectrum in 2% acetic acid upon removing parts of the protein, allowing cleavage site identification by observing which amide cross peaks disappear. Results: The primary product in five out of the six major reverse-phase high-performance liquid chromatography bands generated after a 24 hour incubation of murine amelogenin with MMP20 were: S55-L163, P2-L147, P2-E162, P2-A167, and P2-R176. After 72 hours these products were replaced with five major reverse-phase high-performance liquid chromatography bands containing: L46-A170, P2-S152, P2-F151, P2-W45, and short N-terminal peptides. TRAP was completely digested by MMP20 into multiple small peptides with the initial primary site of cleavage between S16 and Y17. Conclusions: Identification of the major MMP20 proteolytic products of amelogenin confirm a dynamic process, with sites towards the C-terminus more rapidly attacked than sites near the N-terminus. This observation is consistent with nanosphere models where the C-terminus is exposed and the N-terminus more protected. One previously reported end-product of the MMP20 proteolytic processing of amelogenin, TRAP, is shown to be an in vitro substrate for MMP20.

amelogenesis imperfecta, protease, amelogenin, ena↗
DOE OSTI2018

Projection-operator methods for classical transport in magnetized plasmas. Part 2. Nonlinear response and the Burnett equations [Projection-operator methods for classical transport in magnetized plasmas. Part 1. Nonlinear response and the Burnett equations]

The time-independent projection-operator formalism for the derivation of Burnett equations is extended and considered in the context of multispecies and magnetized plasmas. The procedure provides specific formulas for transport coefficients in terms of two-time correlation functions involving both two and three phase-space points. It is shown how to calculate those correlation functions in the limit of weak coupling. The results are used to demonstrate, with the aid of a particular non-trivial example, that the Chapman–Enskog methodology employed by Catto & Simakov (CS) (Phys. Plasmas, vol. 11, 2004, pp. 90–102) to calculate the contributions to the parallel viscosity driven by temperature gradients is consistent with formulas previously derived from the two-time formalism by Brey (J. Chem. Phys., vol. 79, 1983, pp. 4585–4598). Here, the work serves to unify previous work on plasma kinetic theory with formalism usually applied to turbulence. Additional contributions include discussions of (i) Braginskii-order interspecies momentum exchange from the point of view of two-time correlations; and (ii) a simple stochastic model, unrelated to many-body theory, that exhibits Burnett effects. Insights from that model emphasize the role of non-Gaussian statistics in the evaluation of Burnett transport coefficients, including the effects calculated by CS that stem from the nonlinear collision operator. Together, Parts 1 and 2 of this series provide an introduction to projection-operator methods that should be broadly useful in theoretical plasma physics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

BaFe 4 O 7 and K 0.22 Ba 0.89 Fe 4 O 7 : Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures [BaFe 4 O 7 and K 0.22 Ba 0.89 Fe 4 O 7 – New Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures]

Here, complex iron containing oxides, typically referred to as ferrites, have been extensively studied for their electronic and magnetic properties, including magnetotransport, ferromagnetism, ferroelectricity, and a combination of the latter two, known as multiferroism. The search for materials possessing simultaneous ferromagnetic and ferroelectric behavior is of significant interest both for the advancement of fundamental science and for applications in random access memory (RAM). Despite the great technological potential of multiferroics, one or both of the ferroic ordering temperatures tend to fall below room temperature, such as in the compositions TbMnO 3 and Ni 3 V 2 O 8 , thus eliminating their practical utility for RAM applications. The scarcity of multiferroics possessing room temperature ferroic orderings continues to drive exploratory research in this field. For this reason, ferrites have garnered significant interest due to their often high ferroic ordering temperatures, for example in BiFeO 3 . Among all ferrites, hexaferrites are the most studied prototypical examples and constitute a specific subclass of ferrites that follows the stoichiometry Ba O– n Fe 2 O 3 , in which the n value dictates the nomenclature, i.e., ( n = 6) is a hexaferrite or ( n = 1) is a monoferrite. This versatile class of materials encompasses a wide range of related structures best described by Pullar, serving as the motivation for this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Ab Initio Study of Vibronic and Magnetic 5f-to-5f and Dipole-Allowed 5f-to-6d and Charge-Transfer Transitions in [UX 6 ] n – (X = Cl, Br; n = 1, 2)

The absorption spectra of the octahedral [UX 6 ] n– (X = Cl, Br; n = 1, 2) complexes in the near-infrared (NIR) and UV–vis spectral regions were studied theoretically, using a relativistic restricted active space second-order perturbation theory (RASPT2) wavefunction framework, with the spin–orbit (SO) coupling treated by state interaction, in conjunction with Kohn–Sham density functional theory calculations for determining the vibrational normal modes. The electric-dipole-allowed ligand-to-metal charge-transfer (LMCT) and 5f-to-6d transitions, and the electric-dipole-forbidden 5f-to-5f ligand field (LF) transitions, are thereby obtained within the same theoretical framework. For the 5f-to-5f LF transitions, the observed absorption intensity is mostly due to vibronic coupling with low-energy electric-dipole-allowed transitions, but in some cases, the magnetic dipole intensity of the purely electronic transition has comparable intensity to the vibronic transitions. Here, experimental LF spectra of 5f 2 open-shell systems have been reported decades back, but ab initio calculations of their vibronic intensity have not yet been reported in the literature. Although the LF spectra for the 5f 2 systems can be assigned in detail, based on the calculations, the spectra are very complex and the underlying electronic states are strongly multiconfigurational. Therefore, the usefulness of the LF spectra beyond serving as a “fingerprint” of the LF and the metal oxidation state appears to be limited.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Zero-field edge plasmons in a magnetic topological insulator [Zero-field edge magnetoplasmons in a magnetic topological insulator]

Incorporating ferromagnetic dopants into three-dimensional topological insulator thin films has recently led to the realisation of the quantum anomalous Hall effect. These materials are of great interest since they may support electrical currents that flow without resistance, even at zero magnetic field. To date, the quantum anomalous Hall effect has been investigated using low-frequency transport measurements. However, transport results can be difficult to interpret due to the presence of parallel conductive paths, or because additional non-chiral edge channels may exist. Here we move beyond transport measurements by probing the microwave response of a magnetised disk of Cr-(Bi,Sb) 2 Te 3 . We identify features associated with chiral edge plasmons, a signature that robust edge channels are intrinsic to this material system. Finally, our results provide a measure of the velocity of edge excitations without contacting the sample, and pave the way for an on-chip circuit element of practical importance: the zero-field microwave circulator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Relaxation dynamics in see-saw shaped Dy( iii ) single-molecule magnets

Unusual see-saw shaped Dy( iii ) single-molecule magnets, [K(DME) n ][L Ar Dy(X) 2 ] (L Ar = {C 6 H 4 [(2,6- i PrC 6 H 3 )NC 6 H 4 ] 2 } 2− ), X = Cl ( 1 ) and X = I ( 2 ) were synthesized and display high effective energy barriers ( U eff = 1278–1334 K) in zero field.

Harriman, Katie L. M.↗
DOE OSTI2016

Effective Hamiltonians for correlated narrow energy band systems and magnetic insulators: Role of spin-orbit interactions in metal-insulator transitions and magnetic phase transitions

Using a second-quantized many-electron Hamiltonian, we obtain (a) an effective Hamiltonian suitable for materials whose electronic properties are governed by a set of strongly correlated bands in a narrow energy range and (b) an effective spin-only Hamiltonian for magnetic materials. The present Hamiltonians faithfully include phonon and spin-related interactions as well as the external fields to study the electromagnetic response properties of complex materials and they, in appropriate limits, reduce to the model Hamiltonians due to Hubbard and Heisenberg. With the Hamiltonian for narrow-band strongly correlated materials, we show that the spin-orbit interaction provides a mechanism for metal-insulator transition, which is distinct from the Mott-Hubbard (driven by the electron correlation) and the Anderson mechanism (driven by the disorder). Next, with the spin-only Hamiltonian, we demonstrate the spin-orbit interaction to be a reason for the existence of antiferromagnetic phase in materials which are characterized by a positive isotropic spin-exchange energy. This is distinct from the Néel-VanVleck-Anderson paradigm which posits a negative spin-exchange for the existence of antiferromagnetism. We also find that the Néel temperature increases as the absolute value of the spin-orbit coupling increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Tuning the magnetoresistance symmetry of Pt on magnetic insulators with temperature and magnetic doping

We present a comparison study of the temperature dependence of the intriguing magnetoresistance (MR) in Pt/YIG (yttrium iron garnet), Pt/YIG BB (the YIG substrate has been bombarded with Ar + ), and Pt/SiO 2 (with different Fe doping levels). With decreasing temperature, the MRs in Pt/YIG and Pt/YIG BB change symmetry from R z = R x > R y at room temperature to R x > R z > R y at low temperature. A similar behavior in both Pt/YIG and Pt/YIG BB implies that the underlying physics is due to magnetic scattering, instead of the pure spin current across the interface. By changing the Fe doping level in the SiO 2 substrate, we can further systematically modulate the symmetry of MR in Pt/SiO 2 (Fe doped). The doping level dependent symmetry can also qualitatively explain the controversy over the MRs of Pt/YIG and similar structures at low temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Axial magnetic field injection in magnetized liner inertial fusion

MagLIF is a fusion concept using a Z-pinch implosion to reach thermonuclear fusion. In current experiments, the implosion is driven by the Z-machine using 19 MA of electrical current with a rise time of 100 ns. MagLIF requires an initial axial magnetic field of 30 T to reduce heat losses to the liner wall during compression and to confine alpha particles during fusion burn. This field is generated well before the current ramp starts and needs to penetrate the transmission lines of the pulsed-power generator, as well as the liner itself. Consequently, the axial field rise time must exceed hundreds of microseconds. Any coil capable of being submitted to such a field for that length of time is inevitably bulky. The space required to fit the coil near the liner, increases the inductance of the load. In turn, the total current delivered to the load decreases since the voltage is limited by driver design. Yet, the large amount of current provided by the Z-machine can be used to produce the required 30 T field by tilting the return current posts surrounding the liner, eliminating the need for a separate coil. However, the problem now is the field penetration time, across the liner wall. This paper discusses why skin effect arguments do not hold in the presence of resistivity gradients. Numerical simulations show that fields larger than 30 T can diffuse across the liner wall in less than 60 ns, demonstrating that external coils can be replaced by return current posts with optimal helicity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗