Article discusses how potential energy surfaces for reactions involving N2H2 isomers of diazene (diimide) have been explored using density functional theory, with energies based on coupled-cluster theory. A focus is on processes that create or consume these species, and isomerization between the E (trans) and Z (cis) forms of HNNH. This is the accepted manuscript version of the published article.

This article reviewed twelve years of circulation data related to loss and damage of video game equipment, specifically consoles, game controllers, and gaming peripherals such as steering wheels, virtual reality headsets, and joysticks in an academic library collection.

Article studying water regulation during hypoxia in euryhaline killifish.

Article using simulations and experimental measurements to design, build, and test a compact and uniform magnetic field source and then apply it to the optical pumping of atomic helium.

This article describes a study investigating the maturation of convective oxygen transport in embryos of the snapping turtle (Chelydra serpentina). Measurements included: mass, oxygen consumption, heart rate, blood oxygen content and affinity and blood flow distribution at 50%, 70% and 90% of the incubation period.

This article focuses on the effects of mild annealing on the structural and physical properties of the MoS₂ by heating the nanosheets in air and vacuum up to 350 °C. It was found that the annealing leads to an increase in resistivity for the nanosheets by 3 orders of magnitude, the appearance of two absorption bands in the visible range, and a hydrophilic to hydrophobic change in the surface wetting properties. Overall, this study provides another way to control the electrical, optical, and surface properties of MoS₂ nanosheets for fulfilling the needs of various applications.

Study examines the effect of cutting conditions on wall surface roughness and back-wall dross by carrying out fiber laser cutting of AZ31 magnesium alloy tubes.

Review critically analyzes current literature to provide an integrated view of how rapamycin complex 1 (mTORC1) regulates various steps of the autophagy process.

Instrumentation has been developed at the Lawrence Livermore Laboratory for measuring subkilovolt x-rays from laser-produced plasmas. This information is needed to do a complete energy balance on laser fusion experiments. The instruments must have thin windows and yet discriminate against the severe environment of other intense target emissions such as ions, electrons, and scattered laser light. Low energy x-ray measurements down to 0.1 keV will be presented using these absolutely calibrated detectors on laser target shots with the LLL Terawatt laser facility, Cyclops. Precautions in using these detectors in a laser fusion target chamber will be enumerated from our experience in using these instruments on hundreds of laser shots.

The presence of hydrodynamic fluid instability at the ablation surface puts constraints on the kinds of targets, surface finish, and energy sources that one can use for thermonuclear micro-implosions. If Taylor-like modes grow at near the classical value, one is limited to low aspect ratio shells and surface finishes of 10-100 A. These surface finish requirements can be reduced by 1 to 2 orders of magnitude by exploiting density gradient modification techniques to obtain a shallow density gradient at the ablation surface. For laser driven targets, the gradient is achieved by utilizing suprathermal electrons with a high energy ''get lost'' region to eliminate severe preheat problems. For charged particle sources, the reduction is achieved by introducing an energy spread on the driving source.

In recent years several techniques have become available to characterize the structure and chemical composition of surfaces of ceramic materials. These techniques utilize electron scattering and scattering of ions from surfaces. Low-energy electron diffraction is used to determine the surface structure, Auger electron spectroscopy and other techniques of electron spectroscopy (ultraviolet and photoelectron spectroscopies) are employed to determine the composition of the surface. In addition the oxidation state of surface atoms may be determined using these techniques. Ion scattering mass spectrometry and secondary ion mass spectrometry are also useful in characterizing surfaces and their reactions. These techniques, their applications and the results of recent studies are discussed. 12 figures, 52 references, 2 tables.

Final acceptance tests of the Mirror Fusion Test Facility (MFTF-B) were completed in February 1986. These tests verified performance of the following subsystems: the magnet system, the vacuum system and vessel, cryogenic systems, 80-keV neutral-beam sources and power supplies, microwave power systems for plasma heating, the supervisory control and diagnostic system, and the local control and instrumentation system. The entire magnet system was operated at full field continuously for 24 hours. The largest field alignment error under full load, determined using an electron beam technique, was 6 mm, well within the required precision of 15 mm. Absolute values of the magnetic field were determined using nuclear magnetic resonance techniques and were found to be within 2% of predicted values. All magnetic protection systems and fault protection systems were tested at full load. At 4.35 K, the cooling capacity of the liquid helium system exceeded the 11 kW rating and the nitrogen reliquifier met its 500 kW rating.

The first hydrodynamics experiments were performed on the National Ignition Facility. A supersonic jet was formed via the interaction of a laser driven shock ({approx}40 Mbars) with 2D and 3D density perturbations. The temporal evolution of the jet's spatial scales and ejected mass were measured with point projection x-ray radiography. Measurements of the large-scale features and mass are in good agreement with 2D and 3D numerical simulations. These experiments are the first quantitative measurements of the evolution of 3D supersonic jets and provide insight into their 3D behavior.

High efficiency frequency conversion while operating at average power is critical for the Mercury laser. We will demonstrate average power frequency conversion of face-cooled DKDP and YCOB crystals using a sapphire heat spreader approach.

The energy carried by particles and low energy x-rays resulting from irradiation of targets with .5 to 1 TW, 1.06 ..mu..m lasers has been measured. The energy distributions were obtained from measurements at discrete locations using calorimeters and work is in progress to obtain them over a hemisphere with a thermal imaging system. Azimuthal symmetry and polar distributions for different focusing schemes have been determined. The data have been integrated to obtain the absorbed energy and these values compared to box calorimetry and optical energy balance. The relative emission of low energy x-rays from different Z materials can be obtained by comparing these data to charge collector data. Such comparisons also showed that the effective ion charge can be as low as a factor of two below the completely ionized state. The existence of low charge state ions has since been confirmed with high resolutions spectrometers.

The 1.9 {angstrom} native structure of pyrimidine biosynthesis regulatory protein encoded by the Mycobacterium tuberculosis pyrR gene (Rv1379) is reported. Because pyrimidine biosynthesis is an essential step in the progression of TB, pyrR is an attractive antitubercular drug target. The Mycobacterium tuberculosis pyrR gene (Rv1379) encodes a protein that regulates expression of pyrimidine nucleotide biosynthesis (pyr) genes in a UMP-dependent manner. Because pyrimidine biosynthesis is an essential step in the progression of TB, the gene product pyrR is an attractive antitubercular drug target. We report the 1.9 {angstrom} native structure of Mtb pyrR determined by the TB Structural Genomics Consortium facilities (PDB entry 1W30) in trigonal space group P3{sub 1}21, with cell dimensions at 120K of a = 66.64 {angstrom}, c = 154.72 {angstrom}, and two molecules in the asymmetric unit. The 3D structure and residual uracil phosphoribosyltransferase activity point to a common PRTase ancestor for pyrR. However, while PRPP and UMP binding sites have been retained in Mtb pyrR, a novel dimer interaction among subunits creates a deep, positively charged cleft capable of binding pyr mRNA. In silico screening of pyrimidine nucleoside analogs has revealed a number of potential leads compounds that, if bound to Mtb pyrR, could facilitate …

Multiscale modeling with crystal plasticity constitutive relations is used to determine the average response of a polycrystal. The measured crystallographic texture of a copper shaped charge liner is used in a crystal plasticity model to construct a yield surface that exhibits normal-shear coupling. Simulations with this yield surface model demonstrate the spinning behavior observed in the spin formed copper shaped charges.

Chandra HETG spectra of the prototypical dwarf novae SS Cyg and U Gem in quiescence and outburst are presented and discussed. When SS Cyg goes into outburst, it becomes dimmer in hard X-rays and displays a dramatic shift in its relative line strengths, whereas when U Gem goes into outburst, it becomes brighter in hard X-rays and displays only a minor shift in its relative line strengths. In both systems, the emission lines become significantly broader in outburst, signaling the presence of high velocity gas either in Keplerian orbits around the white dwarf or flowing outward from the system.

Brookhaven National Laboratory (BNL) has completed production of the superconducting multi-function magnets that are now installed as part of the HERA luminosity upgrade at DESY. The magnets, cryostats, and lead assemblies were designed and built at BNL. To fit inside the existing detectors, the coils plus cryostat structure had to meet a challenging radial budget (e.g., 39 mm horizontally). Two types of magnets were needed and three of each type were built. Each magnet contained normal and skew quadrupole, normal and skew dipole, and sextupole coils. The magnets operate in the {approx}1.5 T solenoid field of a detector. The quadrupole coils produce gradients up to 13 T/m. The dipole coils generate fields up to 0.3 T. Coils were wound under computer control using either seven-strand round cable or a single strand. To simultaneously avoid excessive synchrotron radiation background scattered from the beam pipe and yet have a small cryostat, one type of magnet used a tapered coil structure. The cryogenic system incorporates cooling with both 40 K helium and supercritical helium. All of the coils were tested in liquid helium in a vertical dewar. Quench test results have been excellent. The field quality of the magnets has met the stringent …

The RHIC accelerator complex completed commissioning activities in 2000 and is presently operating for the first physics run. The complete ensemble of magnets was thus operating over an extended period for the first time. We review the magnet performance as well as relate machine performance characteristics and accelerator physics results to the various magnetic measurements made during the construction phase. The conclusions may be useful for the LHC Project.

Bounds on transport coefficients of random polycrystals of laminates are presented, including the well-known Hashin-Shtrikman bounds and some newly formulated bounds involving two formation factors for a two-component porous medium. Some new types of self-consistent estimates are then formulated based on the observed analytical structure both of these bounds and also of earlier self-consistent estimates (of the CPA or coherent potential approximation type). A numerical study is made, assuming first that the internal structure (i.e., the laminated grain structure) is not known, and then that it is known. The purpose of this aspect of the study is to attempt to quantify the differences in the predictions of properties of a system being modeled when such organized internal structure is present in the medium but detailed spatial correlation information may or (more commonly) may not be available. Some methods of estimating formation factors from data are also presented and then applied to a high-contrast fluid-permeability data set. Hashin-Shtrikman bounds are found to be very accurate estimates for low contrast heterogeneous media. But formation factor lower bounds are superior estimates for high contrast situations. The new self-consistent estimators also tend to agree better with data than either the bounds or the CPA …

Fault tree analysis (FTA) evolved from the aerospace industry in the 1960's. A fault tree is deductive logic model that is generated with a top undesired event in mind. FTA answers the question, ''how can something occur?'' as opposed to failure modes and effects analysis (FMEA) that is inductive and answers the question, ''what if?'' FTA is used in risk, reliability and safety assessments. FTA is currently being used by several industries such as nuclear power and chemical processing. Typically the automotive industries uses failure modes and effects analysis (FMEA) such as design FMEAs and process FMEAs. The use of FTA has spread to the automotive industry. This paper discusses the use of FTA for automotive applications. With the addition automotive electronics for various applications in systems such as engine/power control, cruise control and braking/traction, FTA is well suited to address failure modes within these systems. FTA can determine the importance of these failure modes from various perspectives such as cost, reliability and safety. A fault tree analysis of a car starting system is presented as an example.

Quantum mechanical-based (or ab initio) methods are used to predict the stability properties of materials although their application is limited to relatively simple systems in terms of structures and number of alloy components. However thermodynamics of complex multi-component alloys requires a more versatile approach afforded within the CALPHAD formalism. Despite its success, the lack of experimental data very often prevents the design of robust thermodynamic databases. After a brief survey of ab initio methodologies and CALPHAD, it will be shown how ab initio electronic structure methods can supplement in two ways CALPHAD for subsequent applications. The first one is rather immediate and concerns the direct input of ab initio energetics in CALPHAD databases. The other way, more involved, is the assessment of ab initio thermodynamics '{acute a} la CALPHAD'. It will be shown how these results can be used within CALPHAD to predict the equilibrium properties of multi-component alloys. Finally, comments will be made on challenges and future prospects.

When a crystal is subjected to shock compression beyond its Hugoniot Elastic Limit (HEL), the deformation it undergoes is composed of elastic and plastic strain components. In situ time-dependent X-ray diffraction, which allows direct measurement of lattice spacings, can be used to investigate such phenomena. This paper presents recent experimental results of X-ray diffraction from shocked fcc crystals. Comparison is made between experimental data and simulated X-ray diffraction using a post-processor to Molecular Dynamics (MD) simulations of shocked fcc crystals.