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At least 235 records · Page 13

Impact of point defects on electrochromism in WO3

Using hybrid density functional theory, we investigate the influence on electronic structure of common defects and impurities in tungsten oxide (WO3). As an easily reducible perovskite with the A-site atom missing, high concentrations of foreign dopants and oxygen deficiencies are possible. Our calculations show that both oxygen vacancies and alkali dopants are shallow donors, and we explore the physical origins for this behavior. In particular, we examine whether oxygen vacancies can give rise to localized states or small polarons. Our results show that in crystalline material no such charge localization occurs. We discuss how these results impact electrical conductivity and optical properties.

Peelaers, Hartwin↗

Report for the ASC CSSE L2 Milestone (4873) - Demonstration of Local Failure Local Recovery Resilient Programming Model.

Recovery from process loss during the execution of a distributed memory parallel application is presently achieved by restarting the program, typically from a checkpoint file. Future computer system trends indicate that the size of data to checkpoint, the lack of improvement in parallel file system performance and the increase in process failure rates will lead to situations where checkpoint restart becomes infeasible. In this report we describe and prototype the use of a new application level resilient computing model that manages persistent storage of local state for each process such that, if a process fails, recovery can be performed locally without requiring access to a global checkpoint file. LFLR provides application developers with an ability to recover locally and continue application execution when a process is lost. This report discusses what features are required from the hardware, OS and runtime layers, and what approaches application developers might use in the design of future codes, including a demonstration of LFLR-enabled MiniFE code from the Matenvo mini-application suite.

Heroux, Michael Allen↗

Decentralized control of large flexible structures by joint decoupling

A decentralized control design method is presented for large complex flexible structures by using the idea of joint decoupling. The derivation is based on a coupled substructure state-space model, which is obtained from enforcing conditions of interface compatibility and equilibrium to the substructure state-space models. It is shown that by restricting the control law to be localized state feedback and by setting the joint actuator input commands to decouple joint 'degrees of freedom' (dof) from interior dof, the global structure control design problem can be decomposed into several substructure control design problems. The substructure control gains and substructure observers are designed based on modified substructure state-space models. The controllers produced by the proposed method can operate successfully at the individual substructure level as well as at the global structure level. Therefore, not only control design but also control implementation is decentralized. Stability and performance requirement of the closed-loop system can be achieved by using any existing state feedback control design method. A two-component mass-spring damper system and a three-truss structure are used as examples to demonstrate the proposed method.

Su, Tzu-Jeng↗

Achieving Energy Savings in Small- and Medium-Sized Public Facilities: A Strategic Approach to Prioritizing and Financing

This resource is for state, local government, and K-12 school staff managing small- and medium-sized facilities. Readers will learn to address the unique challenges of smaller energy-saving projects and make informed decisions about financing. Section 1 provides tools for obtaining the information required to prioritize potential energy upgrades. Section 2 presents financing options for energy upgrades, as well as insights that will help decision makers select the right financing model for their project and jurisdiction. Section 3 summarizes key takeaways and highlights additional resources for small- and medium-sized public facilities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The 60 GHz radiometric local vertical sensor experiment

The experiment concept involves the use of millimeter wave radiation the atmospheric oxygen to provide vertical sensing information to a satellite-borne radiometer. The radiance profile studies require the calculation of ray brightness temperature as a function of tangential altitude and atmosphere model, and the computer program developed for this purpose is discussed. Detailed calculations have been made for a total of 12 atmosphere models, including some showing severe warning conditions. The experiment system analysis investigates the effect of various design choices on system behavior. Calculated temperature profiles are presented for a wide variety of frequencies, bandwidths, and atmosphere models. System performance is determined by the convolution of the brightness temperature and an assumed antenna pattern. A compensation scheme to account for different plateau temperatures is developed and demonstrated. The millimeter wave components developed for the local vertical sensor are discussed, with emphasis on the antenna, low noise mixer, and solid state local oscillator. It was concluded that a viable sensing technique exists, useful over a wide range of altitude with an accuracy generally on the order of 0.01 degree or better.

Grauling, C. H., Jr.↗

Photoconductivity of ultra-thin Ge(GeSn) layers grown in Si by low-temperature molecular beam epitaxy

Photoconductivity (PC) spectra of Si/Ge(GeSn)/Si structures with the ultra-thin (1.0–2.3 nm) Ge and GeSn alloy layers grown by the low-temperature (T = 100 °C) molecular beam epitaxy are studied. Photoresponse in the range of 1.2–0.4 eV related to light absorption in the buried Ge(GeSn) layer is observed. It is shown that in case of lateral PC, a simple diffusion model can be used to determine the absorption coefficient of this layer α ∼ 10{sup 5 }cm{sup −1}. This value is 100 times larger than that of a single Ge quantum dot layer and is reached significantly above the band gap of most bulk semiconductors. The observed absorption is caused by optical transitions between electron and hole states localized at the interfaces. The anomalous high value of α can be explained by the unusual state of Ge(GeSn) layer with high concentration of dangling bonds, the optical properties of which have been predicted theoretically by Knief and von Niessen (Phys. Rev. B 59, 12940 (1999)).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Consequence Management Asset Overview

Presentation summarizing DOE Consequence Management assets available to support state, local, territorial, and tribal partners during a radiological emergency. This presentation will be given at various state engagements, including training and outreach for ingestion pathway exercises, national and regional CM exercises, and trainings for radiological emergency preparedness events as requested.

61 RADIATION PROTECTION AND DOSIMETRY↗

repligit

repligit will be a python library which implements the git transfer protocol allowing git repositories to be mirrored between two locations without storing state locally.

Scott, AlecB [Lawrence Livermore National Laborato↗

Local Gaussian operations can enhance continuous-variable entanglement distillation

Entanglement distillation is a fundamental building block in long-distance quantum communication. Though known to be useless on their own for distilling Gaussian entangled states, local Gaussian operations may still help to improve non-Gaussian entanglement distillation schemes. Here we show that by applying local squeezing operations both the performance and the efficiency of existing distillation protocols can be enhanced. We find that such an enhancement through local Gaussian unitaries can be obtained even when the initially shared Gaussian entangled states are mixed, as, for instance, after their distribution through a lossy-fiber communication channel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An operational, multistate, earth observation data management system

The purpose of this paper is to investigate a group of potential users of satellite remotely sensed data - state, local, and regional agencies involved in natural resources management. We assess this group's needs in five states and outline alternative data management systems to serve some of those needs. We conclude that an operational Earth Observation Data Management System (EODMS) will be of most use to these user agencies if it provides a full range of information services - from raw data acquisition to interpretation and dissemination of final information products.

Eastwood, L. F., Jr.↗

New York City Panel on Climate Change 2015 Report: Climate Observations and Projections - Chapter 1

During 2013 and 2014, numerous international (IPCC, 2013) and national (Melillo et al., 2014; Gordon, 2014) reports have concluded that human activities are changing the climate, leading to increased vulnerability and risk. Since the industrial revolution, fossil fuel burning, industrial activity, and land use changes have led to a 40% increase in heat-trapping carbon dioxide (CO2), and an approximately 150% increase in methane (CH4), another powerful greenhouse gas (GHG), has been observed. Global temperatures have increased by close to 1 C since 1880 as the upper oceans have warmed and polar ice has retreated. These and other climate changes are projected to accelerate as greenhouse gas concentrations continue to rise. In the coming decades, climate change is extremely likely to bring warmer temperatures in the New York metropolitan region (see Box. 1.1 and Fig.1.1 for key definitions and terms). Heat waves are very likely to increase; total annual precipitation will likely increase and brief, intense rainstorms are very likely to increase. Because of incomplete knowledge about exactly how much climate change will occur, choosing among policies for reducing future damages requires prudent risk management (Yohe and Leichenko, 2010; Kunreuther et al., 2013). Given differing risk tolerances among stakeholders, a risk management approach allows for a range of possible climate change outcomes to be examined with associated uncertainties surrounding their likelihoods. The New York City Panel on Climate Change 2 (NPCC2) projections can be used to inform planning across multiple governmental scales (e.g., city, county, state) in the New York metropolitan region. Such coordinated efforts can serve as test cases for successful local, state, and federal coordination for integrated climate adaptation initiatives. This chapter describes the global climate system, and presents observed temperature and precipitation trends and projections for the region. Chapter 2 (NPCC, 2015) focuses on sea level rise and possible changes in coastal storms. Chapter 3 and Chapter 4 (NPCC, 2015) describe efforts to better understand the region's vulnerability to coastal flooding during coastal storms. The treatment of likelihood related to the NPCC projections is similar to that developed by the Intergovernmental Panel on Climate Change Fourth and Fifth Assessment Reports (IPCC, 2007; 2013), with six likelihood categories (Box 1.1 and Fig. 1.1). The assignment of climate hazards to these categories is based on observed data, global climate model simulations, published literature, and expert judgment.

climate change↗

The structure and electronic properties of tetrahedrally bonded hydrogenated amorphous carbon

In this work, we have synthesized hydrogenated and deuterated amorphous carbon materials that have a density, 2.7 ± 0.1 g/cm 3 , consistent with almost entirely tetrahedral bonding. In hydrogen-free tetrahedral amorphous carbon, the presence of a minority of sp2 bonded atoms leads to localized states that could be passivated with hydrogen by analogy with hydrogenated amorphous silicon. Neutron diffraction analysis demonstrated that the local bonding environment is consistent with ab initio models of high density hydrogenated tetrahedral amorphous carbon and with the related tetrahedral molecular structure neopentane. The optical bandgap of our material, 4.5 eV, is close to the bandgap in the density of states determined by scanning tunneling spectroscopy (4.3 eV). This bandgap is considerably larger than that of hydrogen-free tetrahedral amorphous carbon, confirming that passivation of sp 2 associated tail-states has occurred. Both the structural and electronic measurements are consistent with a model in which the tetrahedrally bonded carbon regions are terminated by hydrogen, causing hopping conductivity to dominate.

36 MATERIALS SCIENCE↗

Charge transport in topological graphene nanoribbons and nanoribbon heterostructures

Although it is generally accepted that structural parameters like width, shape, and edge structure crucially affect the electronic characteristics of graphene nanoribbons (GNRs), the exact relationship between geometry and charge transport remains largely unexplored. Here, in this paper, we present in situ through-transport measurements of various topological GNRs and GNR heterostructures by lifting the ribbon with the tip of a scanning tunneling microscope. At the same time, we develop a comprehensive transport model that enables us to understand various features, such as obscuring of localized states in through transport, the effect of topology on transport, as well as negative differential conductance in heterostructures with localized electronic modes. The combined experimental and theoretical efforts described in this paper serve to elucidate general charge transport phenomena in GNRs and GNR heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbons

Ab initio calculations combining density-functional theory and nonequilibrium Green’s function are performed to investigate the effects of either single B atom or single N atom dopant in zigzag-edged graphene nanoribbons (ZGNRs) with the ferromagnetic state on the spin-dependent transport properties and thermospin performances. A spin-up (spin-down) localized state near the Fermi level can be induced by these dopants, resulting in a half-metallic property with 100% negative (positive) spin polarization at the Fermi level due to the destructive quantum interference effects. In addition, the highly spin-polarized electric current in the low bias-voltage regime and single-spin negative differential resistance in the high bias-voltage regime are also observed in these doped ZGNRs. Moreover, the large spin-up (spin-down) Seebeck coefficient and the very weak spin-down (spin-up) Seebeck effect of the B(N)-doped ZGNRs near the Fermi level are simultaneously achieved, indicating that the spin Seebeck effect is comparable to the corresponding charge Seebeck effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

M-I-S solar cell - Theory and experimental results

The paper presents an operating-mode analysis of an MIS solar cell and discusses the advantages which can arise as a result of the use of transport control, field shaping (increased n factor), and zero bias barrier height modification. It is noted that for an n-type semiconductor, it is relatively easy to obtain an enhanced n factor using acceptor-like states without an increase in diode saturation current, the converse being true for p-type semiconductors. Several MIS configurations are examined: an acceptor-like, localized state configuration producing field shaping and no change in diode saturation current, and acceptor-like localized configurations producing field shaping, with a decrease of diode saturation current, in one case, and an increase in the other.

Childs, R.↗