Influence of structural disorder and large-scale geometric fluctuations on the Coherent Transport of Metallic Junctions and Molecular Wires

Structural disorder is present in almost all experimental measurements of electronic transport through single molecules or molecular wires. To assess its influence on the conductance is computationally demanding, because a large number of conformations must be considered. Here we analyze an approximate recursive layer Green function approach for the ballistic transport through quasi one-dimensional nano-junctions. We find a rapid convergence of the method with its control parameter, the layer thickness, and good agreement with existing experimental and theoretical data. Because the computational effort rises only linearly with system size, this method permits treatment of very large systems. We investigate the conductance of gold- and silver wires of different sizes and conformations. For weak electrode disorder and imperfect coupling between electrode and wire we find conductance variations of approximately 20%. Overall we find the conductance of silver junctions well described by the immediate vicinity of narrowest point in the junction, a result that may explain the observation of well-conserved conductance plateaus in recent experiments on silver junctions. In an application to flexible oligophene wires, we find that strongly distorted conformations that are sterically forbidden at zero temperature, contribute significantly to the observed average zero-bias conductance of the molecular wire

Development of the mathematical model of catalytic cracking: identification of hydrocarbon of the vacuum distillate usin chromatomass- spectrometry

Information about composition of catalytic cracking raw materials and products is required fordevelopment of mathematical model of catalytic cracking. The results of laboratory investigation ondetermination of the composition of catalytic cracking vacuum distillate were performed in this work. Groupcomposition of the catalytic cracking raw materials was defined using liquid-adsorption chromatographicseparation on silica gel. Paraffin-naphthenic and aromatic fraction was indefined by chromato-massspectrometry

Pre-selectable integer quantum conductance of electrochemically fabricated silver point contacts

The controlled fabrication of well-ordered atomic-scale metallic contacts is of great interest: it is expected that the experimentally observed high percentage of point contacts with a conductance at non-integer multiples of the conductance quantum G_0 = 2e^2/h in simple metals is correlated to defects resulting from the fabrication process. Here we demonstrate a combined electrochemical deposition and annealing method which allows the controlled fabrication of point contacts with pre-selectable integer quantum conductance. The resulting conductance measurements on silver point contacts are compared with tight-binding-like conductance calculations of modeled idealized junction geometries between two silver crystals with a predefined number of contact atoms

Ultrasensitive 3He magnetometer for measurements of high magnetic fields

We describe a 3He magnetometer capable to measure high magnetic fields (B > 0.1 Tesla) with a relative accuracy of better than 10^-12. Our approach is based on the measurement of the free induction decay of gaseous, nuclear spin polarized 3He following a resonant radio frequency pulse excitation. The measurement sensitivity can be attributed to the long coherent spin precession time T2* being of order minutes which is achieved for spherical sample cells in the regime of motional narrowing where the disturbing influence of field inhomogeneities is strongly suppressed. The 3He gas is spin polarized in-situ using a new, non-standard variant of the metastability exchange optical pumping. We show that miniaturization helps to increase T2* further and that the measurement sensitivity is not significantly affected by temporal field fluctuations of order 10^-4.Comment: 27 pages, 7 figure

Propulsion Health Management System Development for Affordable and Reliable Operation of Space Exploration Systems

The constraints of future Exploration Missions will require unique integrated system health management capabilities throughout the mission. An ambitious launch schedule, human-rating requirements, long quiescent periods, limited human access for repair or replacement, and long communication delays, all require an integrated approach to health management that can span distinct, yet interdependent vehicle subsystems, anticipate failure states, provide autonomous remediation and support the Exploration Mission from beginning to end. Propulsion is a critical part of any space exploration mission, and monitoring the health of the propulsion system is an integral part of assuring mission safety and success. Health management is a somewhat ubiquitous technology that encompasses a large spectrum of physical components and logical processes. For this reason, it is essential to develop a systematic plan for propulsion health management system development. This paper provides a high-level perspective of propulsion health management systems, and describes a logical approach for the future planning and early development that are crucial to planned space exploration programs. It also presents an overall approach, or roadmap, for propulsion health management system development and a discussion of the associated roadblocks and challenges

Applying the extended molecule approach to correlated electron transport: important insight from model calculations

Theoretical approaches of electronic transport in correlated molecules usually consider an extended molecule, which includes, in addition to the molecule itself, parts of electrodes. In the case where electron correlations remain confined within the molecule, and the extended molecule is sufficiently large, the current can be expressed by means of Laudauer-type formulae. Electron correlations are embodied into the retarded Green function of a sufficiently large but isolated extended molecule, which represents the key quantity that can be accurately determined by means of ab initio quantum chemical calculations. To exemplify these ideas, we present and analyze numerical results obtained within full CI calculations for an extended molecule described by the interacting resonant level model. Based on them, we argue that for organic electrodes the transport properties can be reliably computed, because the extended molecule can be chosen sufficiently small to be tackled within accurate ab initio methods. For metallic electrodes, larger extended molecules have to be considered in general, but a (semi-)quantitative description of the transport should still be possible particularly in the typical cases where electron transport proceeds by off-resonant tunneling. Our numerical results also demonstrate that, contrary to the usual claim, the ratio between the characteristic Coulomb strength and the level width due to molecule-electrode coupling is not the only quantity needed to assess whether electron correlation effects are strong or weak