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At least 1,531 records · Page 85

Many-body theory of phonon-induced spin relaxation and decoherence

First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit interaction causes various dynamical phenomena that couple with phonons, such as spin precession and spin-flip e-ph scattering, which are difficult to describe with current first-principles calculations. Here, in this work, we show a rigorous framework to study phonon-induced spin relaxation and decoherence, by computing the spin-spin correlation function and its vertex corrections due to e-ph interactions. We apply this approach to a model system and develop corresponding first-principles calculations of spin relaxation in GaAs. Our vertex-correction formalism is shown to capture the Elliott-Yafet, Dyakonov-Perel, and strong-precession mechanisms—three independent spin decoherence regimes with distinct physical origins—thereby unifying their theoretical treatment and calculation. Our method is general and enables quantitative studies of spin relaxation, decoherence, and transport in a wide range of materials and devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Graphic Processor Realization of the Formal Solution of the Problem of Radiation Transfer in the Neutron Star Atmosphere

The realization (on the CUDA platform) of the search for the formal solution to the problem of radiation transfer in the strongly magnetized plasma in the atmosphere of a neutron star on graphic processors with the CUDA architecture. The solution is obtained using the Galerkin method with finite elements. The realization of graphic processors makes it possible to substantially accelerate computations in constructing models for the atmospheres of neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Synthesis, Structure, and Properties of the Complex Zintl Phase Eu 9 Zn 4.5 As 9 : A Candidate Topological Insulator and Thermoelectric Material

Reported are the synthesis and detailed analysis of the crystal and electronic structure of the novel Zintl phase Eu 9 Zn 4.5 As 9 . This material was identified in the densely populated Eu–Zn–As compositional space. For structure determination and for property measurements, suitable single crystals of this compound were grown from either Sn- or Pb-flux. Single-crystal X-ray diffraction methods indicate that Eu 9 Zn 4.5 As 9 crystallizes in the orthorhombic crystal system with the space group Pnma (a = 12.1953(7) Å, b = 4.3730(2) Å, c = 42.674(2) Å) and is formally isostructural to Ca 9 Mn 4+x Sb 9 , the less common “9–4–9” type. The structure is heavily disordered, with multiple partially occupied sites, yet, according to the Zintl-Klemm formalism, a charge-balanced composition (Eu 2+ ) 9 (Zn 2+ ) 4.5 (As 3− ) 9 is attained. Electronic structure calculations for a model, disorder-free structure indicate no energy gap between the valence and the conduction bands and suggest (semi)metallic behavior. Preliminary susceptibility measurements confirm the expected divalent nature of Eu 2+ ([Xe] 4 f 7 ground state).

Zintl phases↗

Symmetry and selection rules for wave-wave interactions

Selection rules for nonlinear three-wave interactions are derived on the basis of the symmetry of the background medium and the waves themselves. The process described bypasses the formal derivation of the coupling coefficient itself. The primary concern is with the effect of the polarization of the waves on the selection rules. Although consideration is limited to three-wave interactions, the method is easily generalized to more waves. Results are derived for these examples: three waves with parallel propagation vectors in an unmagnetized medium, and three waves propagating parallel, and then perpendicular, to a static magnetic field.

Harker, K. J.↗

An abrasion-ablation model description of galactic heavy-ion fragmentation

The fragmentation of high-energy galactic heavy ions by nuclear interactions with arbitrary target nuclei is described within the context of a simple abrasion-ablation fragmentation model. The abrasion part of the theory utilizes a quantum-mechanical formalism based upon an optical model potential approximation to the exact nucleus-nucleus multiple-scattering series. Nuclear charge distributions of the excited prefragments are calculated using either a hypergeometric distribution or a method based upon the zero-point oscillations of the giant dipole resonance. The excitation energy of the prefragment is estimated from the geometric clean-cut abrasion-ablation model. The decay probabilities for the various particle emission channels, in the ablation stage of the fragmentation, are obtained from the EVAP-4 Monte Carlo computer program. Elemental production cross sections for 1.88-GeV/nucleon iron colliding with carbon, silver, and lead targets are calculated and compared with experimental data and with the predictions from the semiempirical relations of Silberberg and Tsao.

Townsend, L. W.↗

Earth Observing Scanning Polarimeter (EOSP), phase B

Evaluations performed during a Phase B study directed towards defining an optimal design for the Earth Observing Scanning Polarimeter (EOSP) instrument is summarized. An overview of the experiment approach is included which provides a summary of the scientific objectives, the background of the measurement approach, and the measurement method. In the instrumentation section, details of the design are discussed starting with the key instrument features required to accomplish the scientific objectives and a system characterization in terms of the Stokes vector/Mueller matrix formalism. This is followed by a detailing of the instrument design concept, the design of the individual elements of the system, the predicted performance, and a summary of appropriate instrument testing and calibration. The selected design makes use of key features of predecessor polarimeters and is fully compatible with the Earth Observing System spacecraft requirements.

Source record↗

Survivable algorithms and redundancy management in NASA's distributed computing systems

The design of survivable algorithms requires a solid foundation for executing them. While hardware techniques for fault-tolerant computing are relatively well understood, fault-tolerant operating systems, as well as fault-tolerant applications (survivable algorithms), are, by contrast, little understood, and much more work in this field is required. We outline some of our work that contributes to the foundation of ultrareliable operating systems and fault-tolerant algorithm design. We introduce our consensus-based framework for fault-tolerant system design. This is followed by a description of a hierarchical partitioning method for efficient consensus. A scheduler for redundancy management is introduced, and application-specific fault tolerance is described. We give an overview of our hybrid algorithm technique, which is an alternative to the formal approach given.

Malek, Miroslaw↗

A Formal Approach for Designing and Evaluating Procedures

Operator interaction with modern control systems is a topic of great concern in high-risk industries such as nuclear power and commercial aviation. The issues associated with such systems focus on the ability of the operators (e.g., pilots) to achieve mission goals safely while containing failures. Operators must be able to interact safely and reliably with highly automatic and complex systems across the full spectrum of possible operating conditions, including normal, abnormal, and emergency situations. In environments such as commercial aviation, operator interaction with the machine is specified through a set of standard operating procedures (SOP). A procedure represents a collective agreement on the 'best' way to perform a given task. The intent of this paper is to suggest a formal methodology, for designing and evaluating procedures, that is both reliable and systematic. Our approach involves two major elements: a model of the machine and a list of the operator's task specifications (goals). We use formal modeling paradigms for describing the system and super-imposing on it the operator's tasks. Such paradigms, based on recent frameworks such as Statecharts and Hierarchical Hybrid Machines appear to be adequate methods for analyzing operator interaction with modern control systems. To illustrate this methodology, we model and analyze the sequence of actions for an emergency procedure. The procedure, Irregular Engine Start, for a medium-range aircraft, specifies the sequence of immediate actions that must be performed by the crew to avoid an uncontrolled rise in engine temperature during start-up. A model of engine behavior during a hot start is constructed. It also describes the various actions that can be taken by the crew and the resulting outcomes. The model is then opened up as a tree of all possible action sequences. This action tree allows us to trace the correct sequences necessary to achieve the desired end-goal (secure and shut down of the engine). In conclusion, we argue that the current process of designing and evaluating procedures can be improved. We discuss the implications of this approach for designing and evaluating this and other types of procedures. We conclude with insights about the benefits and limitation of this methodology, and offer suggestions for future research.

Degani, Asaf↗

Dynamic Light-Scattering Probe Used for the Very Early Detection of Cataracts and to Measure Response to Therapy (or Treatment)

Half of all blindness worldwide is due to cataracts, and 34 million Americans over the age of 65 have cataracts. This figure is expected to rise to 70 million by the year 2030. Currently, no medical treatment is available to prevent or halt the progression of a cataract; nor is there any way to reverse a cataract once it has been detected by conventional methods. The only known treatment is surgical removal of the lens. It is estimated that over $5 billion will be spent this year for the treatment of cataract patients in the United States alone. According to Carl Kupfer, M.D., former Director of the National Eye Institute at the National Institutes of Health, "A delay in cataract formation of about 10 years would reduce the prevalence of visually disabling cataracts by about 45 percent." However, this vision remains a dream because of the lack of objective methods that can be used to detect cataracts very early and, hence, can be used for screening potential anticataract drugs. This is about to change. The National Eye Institute and NASA entered into a formal interagency agreement in late 1996 to develop and test a dynamic light-scattering (DLS) device to detect the earliest changes due to cataract formation. The new DLS probe developed by Dr. Ansari at the NASA Glenn Research Center is several orders of magnitude more sensitive than conventional clinical systems. This ultrahigh sensitivity enables the probe to detect the onset of a cataract before it has any effect on vision and allows researchers to test the effectiveness of anticataract drugs in reversing cataracts. This device (see the following illustration) was originally designed to study transport phenomena in microgravity fluid physics experiments onboard the space shuttle orbiters and space station. It will be very useful in testing anticataract drugs to halt or reverse the progression of cataracts during longitudinal clinical trials.

Ansari,Rafat R.↗

Thermodynamics of Highly Concentrated Aqueous Electrolytes: Based on Boltzmann's eponymous equation

This sharply focused book invites the reader to explore the chemical thermodynamics of highly concentrated aqueous electrolytes from a different vantage point than traditional methods. The book's foundation is deeply rooted in Ludwig Boltzmann's eponymous equation. The pathway from micro to macro thermodynamics is explained heuristically, in a step-by-step approach. Concepts and mathematical formalism are explained in detail to captivate and maintain interest as the algebra twists and turns. Every significant result is derived in a lucid and piecemeal fashion. Application of the theory is exemplified with examples. It is amazing to realize that Boltamann's simple equation contains sufficient information from which such an elaborate theory can emerge. This book is suitable for undergraduate and graduate level classes in chemical engineering, chemistry, geochemistry, environmental sciences, and those studying aerosol particles in the troposphere. Students interested in understanding how thermodynamic theories may be developed would be inspired by the methodology. The author wishes that readers get as much excitement reading this book as he did writing it.

Ally, Moonis↗

DCIS integration tests for Lungmen nuclear power plant - 370

The factory acceptance tests (FAT) for distributed control and information systems (DCIS) of Lungmen nuclear power plant (LMNPP) Units 1 and 2 were separately performed by individual suppliers for their supplied scopes. The FAT also included overlap interface tests between the separately supplied scopes, but did not include an overall integration test. There were concerned by the regulator and the public over the lack of an integration test, which was believed to be indispensable to verify the correctness and completeness of a digital system of such large scale ever applied by Taiwan Power Company (Taipower). To address these concerns and enhance confidence in the DCIS, the DCIS integration tests, including reactor water level integration test, reactor pressure integration test, integration test for turbine generator and reactor protection system, integration test for proper plant response to safety and non-safety network equipment failures, and DCIS dynamic integration test, were performed at site during Unit 1| site tests. It is to be noted that these tests were beyond the post construction tests, the pre-operational tests, and the start-up tests, which are the normal industry practice and formally required by the regulator. A common goal for these integration tests is to verify the capability of the DCIS to transmit signal/data properly across various suppliers' equipment to actuate the final equipment. The methods and principle, the test purpose/test items/acceptance criteria and the test results for these tests are described. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Wall-Modeled Large Eddy Simulation Method for Unstructured-Grid Navier-Stokes Solvers

This paper reports on the implementation and assessment of a Wall-Modeled Large-Eddy Simulation (WMLES) methodology in an unstructured-grid, node-centered flow solver, FUN3D that is developed and supported at the NASA Langley Research Center. Finite-volume (FV) and finite-element (FE) discretization schemes considered in the study provide formal second-order spatial accuracy. Large-Eddy Simulations (LES) resolve large-scale turbulent-flow features and filter out small-scale effects using the Vreman subgrid-scale model. At solid-wall boundaries, a shear-stress model is employed to provide a proper boundary-flux closure. The nonlinear equations are integrated in time using either an optimized backward difference formula or an implicit multistage Runge-Kutta temporal scheme. The implicit equations at each time step are solved by strong nonlinear iteration schemes. WMLES demonstrations are shown for two high-lift configurations, namely, the McDonnell Douglas 30P30N multielement airfoil and a NASA High-Lift Common Research Model. Results show that the WMLES approaches implemented in the FV and FE discretization methods produce consistent solutions and are capable of capturing key aerodynamic characteristics and flow structures for high-lift configurations at a wide range of angles of attack including maximum-lift conditions. In the 30P30N example, correct trends in the variations of integrated aerodynamic forces and moments, surface pressure distributions, and boundary-layer profiles are captured as the Reynolds number is increased.

CFD; turbulence modeling; High-Lift flow simulatio↗

A mission planning concept and mission planning system for future manned space missions

The international character of future manned space missions will compel the involvement of several international space agencies in mission planning tasks. Additionally, the community of users requires a higher degree of freedom for experiment planning. Both of these problems can be solved by a decentralized mission planning concept using the so-called 'envelope method,' by which resources are allocated to users by distributing resource profiles ('envelopes') which define resource availabilities at specified times. The users are essentially free to plan their activities independently of each other, provided that they stay within their envelopes. The new developments were aimed at refining the existing vague envelope concept into a practical method for decentralized planning. Selected critical functions were exercised by planning an example, founded on experience acquired by the MSCC during the Spacelab missions D-1 and D-2. The main activity regarding future mission planning tasks was to improve the existing MSCC mission planning system, using new techniques. An electronic interface was developed to collect all formalized user inputs more effectively, along with an 'envelope generator' for generation and manipulation of the resource envelopes. The existing scheduler and its data base were successfully replaced by an artificial intelligence scheduler. This scheduler is not only capable of handling resource envelopes, but also uses a new technology based on neuronal networks. Therefore, it is very well suited to solve the future scheduling problems more efficiently. This prototype mission planning system was used to gain new practical experience with decentralized mission planning, using the envelope method. In future steps, software tools will be optimized, and all data management planning activities will be embedded into the scheduler.

Wickler, Martin↗

Drell-Yan q T resummation of fiducial power corrections at N 3 LL

We consider Drell-Yan production pp → V*X → LX at small q T << Q, where q T and Q are the total transverse momentum and invariant mass of the leptonic final state L. Experimental measurements require fiducial cuts on L, which in general introduce enhanced, linear power corrections in q T /Q. We show that they can be unambiguously predicted from factorization, and resummed to the same order as the leading-power contribution. For the fiducial q T spectrum, they constitute the complete linear power corrections. We thus obtain predictions for the fiducial q T spectrum to N 3 LL and next-to-leading-power in q T /Q. Matching to full NNLO ($α$$^{2}_{s}$), we find that the linear power corrections are indeed the dominant ones, and once included by factorization, the remaining fixed-order corrections become almost negligible below q T ≲ 40 GeV. We also discuss the implications for more complicated observables, and provide predictions for the fiducial Φ* spectrum at N 3 LL+NNLO. We find excellent agreement with ATLAS and CMS measurements of q T and Φ*. We also consider the $p$$^{ℓ}_{T}$ spectrum. We show that it develops leptonic power corrections in q T /(Q – 2$p$$^{ℓ}_{T}$), which diverge near the Jacobian peak $p$$^{ℓ}_{T}$ ~ Q/2 and must be kept to all powers to obtain a meaningful result there. Doing so, we obtain for the first time an analytically resummed result for the $p$$^{ℓ}_{T}$ spectrum around the Jacobian peak at N 3 LL+NNLO. Our method is based on performing a complete tensor decomposition for hadronic and leptonic tensors. We show that in practice this is equivalent to often-used recoil prescriptions, for which our results now provide rigorous, formal justification. Our tensor decomposition yields nine Lorentz-scalar hadronic structure functions, which for Z/γ* → ℓℓ or W → ℓν directly map onto the commonly used angular coefficients, but also holds for arbitrary leptonic final states. In particular, for suitably defined Born-projected leptons it still yields a LO-like angular decomposition even when including QED final-state radiation. Finally, we also discuss the application to q T subtractions. Including the unambiguously predicted fiducial power corrections significantly improves their performance, and in particular makes them applicable near kinematic edges where they otherwise break down due to large leptonic power corrections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Monte Carlo simulations for understanding the transport properties of metallic nanowires

We report the conductance calculation of metallic nanowires of different metals under the application of a tensile force. The elongation induced by the tensile force was simulated by means of the canonical Monte Carlo method combined with the embedded atom method to compute the energy of the system. We studied nanowires composed of Ag, Au, Pt and Cu. The conductance was calculated by means of the Landauer formula and the non-equilibrium Green function formalism. As previously verified experimentally and using other simulation techniques, the conductance is quantized. In addition to this, we have found that there is a strong correlation between the magnitude of the conductance and the width of the nanowire at its thinnest point. Conductance histograms were analyzed for all the different metals.

36 MATERIALS SCIENCE↗

Cuboidal Liquid Crystal Phases Under Multiaxial Geometrical Frustration.

Cuboidal liquid crystal phases - the so-called blue phases - consist of a network of topological defects arranged into a cubic symmetry. They exhibit striking optical properties, including Bragg reflection in the visible range and fast response times. Confining surfaces can interfere with the packing of such a network, leading to structures that have not been explored before. In this work, a Landau-de Gennes free energy formalism for the tensor alignment field Q is used to investigate the behavior of chiral liquid crystals under non-isotropic confinement. The underlying free energy functional is solved by relying on a Monte Carlo method that facilitates efficient exploration of configuration space. The results of simulations are expressed in terms of phase diagrams as a function of chirality and temperature for three families of spheroids: oblate, spherical, and prolate. Upon deformation, blue phases adapt and transform to accommodate the geometrical constraints, thereby resulting in a wider range of thermal stability. For oblate spheroids, confinement interferes with the development of a full blue phase structure, resulting on a combination of half skyrmions. For prolate spheroids, the blue phases are hybridized and exhibit features of blue phases I and II. More generally, it is shown that mechanical deformation provides an effective means to control, manipulate and stabilize blue phases and cholesterics confined in tactoids.

Palacio-Betancur, Viviana↗

Two-dimensional electronic–vibrational spectroscopy: Exploring the interplay of electrons and nuclei in excited state molecular dynamics

Two-dimensional electronic-vibrational spectroscopy (2DEVS) is an emerging spectroscopic technique which exploits two different frequency ranges for the excitation (visible) and detection (infrared) axes of a 2D spectrum. In contrast to degenerate 2D techniques, such as 2D electronic or 2D infrared spectroscopy, the spectral features of a 2DEV spectrum report cross correlations between fluctuating electronic and vibrational energy gaps rather than autocorrelations as in the degenerate spectroscopies. The center line slope of the spectral features reports on this cross correlation function directly and can reveal specific electronic-vibrational couplings and rapid changes in the electronic structure, for example. The involvement of the two types of transition moments, visible and infrared, makes 2DEVS very sensitive to electronic and vibronic mixing. 2DEV spectra also feature improved spectral resolution, making the method valuable for unraveling the highly congested spectra of molecular complexes. The unique features of 2DEVS are illustrated in this paper with specific examples and their origin described at an intuitive level with references to formal derivations provided. Although early in its development and far from fully explored, 2DEVS has already proven to be a valuable addition to the tool box of ultrafast nonlinear optical spectroscopy and is of promising potential in future efforts to explore the intricate connection between electronic and vibrational nuclear degrees of freedom in energy and charge transport applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exact closed-form unitary transformations of fermionic operators

Unitary transformations play a fundamental role in many-body physics, and except for special cases, they are not expressible in closed form. We present closed-form expressions for unitary transformations generated by a single fermionic operator for Hermitian and anti-Hermitian generators. We demonstrate the usefulness of these expressions in formal analyses of unitary transformations and numerical applications to Hamiltonian downfolding in quantum computing and Heisenberg dynamics. Furthermore, this work paves the way for new analytical treatments of unitary transformations and numerical many-body methods for fermions.

74 ATOMIC AND MOLECULAR PHYSICS↗