Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “superconducting circuits”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10

Design aspects and comparison between high Tc superconducting coplanar waveguide and microstrip line

The high T sub c superconducting microstrip line and coplanar waveguide are compared in terms of the loss characteristics and the design aspects. The quality factor Q values for each structure are compared in respect to the same characteristic impedance with the comparable dimensions of the center conductor of the coplanar waveguide and the strip of the microstrip line. Also, the advantages and disadvantages for each structure are discussed in respect to passive microwave circuit applications.

Kong, K. S.↗

Transition-Edge Hot-Electron Microbolometers for Millimeter and Submillimeter Astrophysics

The millimeter and the submillimeter wavelengths of the electromagnetic spectrum hold a wealth of information about the evolution of the universe. In particular, cosmic microwave background (CMB) radiation and its polarization carry the oldest information in the universe, and provide the best test of the inflationary paradigm available to astronomy today. Detecting gravity waves through their imprint on the CMB polarization would have extraordinary repercussions for cosmology and physics. A transition-edge hot-electron micro - bolometer (THM) consists of a superconducting bilayer transition-edge sensor (TES) with a thin-film absorber. Unlike traditional monolithic bolometers that make use of micromachined structures, the THM em ploys the decoupling between electrons and phonons at millikelvin temperatures to provide thermal isolation. The devices are fabricated photolithographically and are easily integrated with antennas via microstrip transmission lines, and with SQUID (superconducting quantum interference device) readouts. The small volume of the absorber and TES produces a short thermal time constant that facilitates rapid sky scanning. The THM consists of a thin-film metal absorber overlapping a superconducting TES. The absorber forms the termination of a superconducting microstripline that carries RF power from an antenna. The purpose of forming a separate absorber and TES is to allow flexibility in the optimization of the two components. In particular, the absorbing film's impedance can be chosen to match the antenna, while the TES impedance can be chosen to match to the readout SQUID amplifier. This scheme combines the advantages of the TES with the advantages of planar millimeter-wave transmission line circuits. Antenna-coupling to the detectors via planar transmission lines allows the detector dimensions to be much smaller than a wavelength, so the technique can be extended across the entire microwave, millimeter, and submillimeter wavelength ranges. The circuits are fabricated using standard microlithographic techniques and are compatible with uniform, large array formats. Unlike traditional monolithic bolometers that make use of micromachined structures, the THM employs the decoupling between electrons and phonons at millikelvin temperatures to provide thermal isolation. There is no fragile membrane in the structure for thermal isolation, which improves the fabrication yield.

Hsieh, Wen-Ting↗

A high accuracy all-angle gyroscope readout using quantized flux

Means are described to use SQUID magnetometer flux counting and the London moment of a spherical superconducting gyroscope to read out the gyroscope spin axis direction to an accuracy of at least 23 bits per quadrant. The system is discussed in analogy to optical fringe counting as applied to distance measurement. Several methods of applying both analog and digital SQUID magnetometers to the readout problem are given, as well as limitations on each. Described are two methods of increasing the flux available for measurement: magnetizing the gyroscope with a trapped field, and optimizing readout circuit inductances. Finally, the same principle on which the gyroscope readout is based is applied to a description of a high accuracy, flux counting, digital angle encoder.

Anderson, J. T.↗

The Superconducting Cavity Stabilized Oscillator

Superconducting Cavity Stabilized Oscillators (SCSOs) have produced the most stable clocks to date for integration times between 10(exp 2) and 10(exp 3) seconds, achieving a fractional frequency stability of 2 x 10(exp -16) for a sampling time of 100 s. The principal contributors to cavity frequency variations are: (1) acceleration effects due to gravity and vibrations; (2) temperature variations; (3) variations in the energy stored in the cavity; and (4) noise introduced by the frequency stabilization circuit. We discuss the prospects for improvements in all these areas for both ground-based and space-based SCSOs, which may lead to SCSOs with fractional frequency stabilities below 10(exp -17). SCSOs of this frequency stability will be useful for testing fundamental physical principles.

Turneaure, J. P.↗

Superconducting Digital Multiplexers for Sensor Arrays

Arrays of cryogenic microbolometers and other cryogenic detectors are being developed for infrared imaging. If the signal from each sensor is amplified, multiplexed, and digitized using superconducting electronics, then this data can be efficiently read out to ambient temperature with a minimum of noise and thermal load. HYPRES is developing an integrated system based on SQUID amplifiers, a high-resolution analog-to-digital converter (ADC) based on RSFQ (rapid single flux quantum) logic, and a clocked RSFQ multiplexer. The ADC and SQUIDs have already been demonstrated for other projects, so this paper will focus on new results of a digital multiplexer. Several test circuits have been fabricated using Nb Josephson technology and are about to be tested at T = 4.2 K, with a more complete prototype in preparation.

Kadin, Alan M.↗

Coplanar waveguide microwave filter of YBa2Cu3O7

Thin film low-pass microwave filters have been made with laser-ablated YBa2Cu3O(7-delta) (YBCO) deposited on LaAlO3 substrates, using a coplanar waveguide structure. The coplanar waveguide sections had dimensions suited for integrated circuits. Measured losses in liquid nitrogen were superior to the loss in a similar thin-film copper filter throughout the 0 to 9.5 GHz pass-band. A simple transmission-line model is adequate for filter design using YBCO films with repeatable characteristics. The measured filters demonstrate the performance of fully patterned YBCO after sealing in space-qualifiable hermetic packages. Five packaged filters of this design were delivered to the Naval Research Laboratory as candidates for space flight in the High Temperature Superconductivity Space Experiment.

Chew, Wilbert↗

Performance of ceramic superconductors in magnetic bearings

Magnetic bearings are large-scale applications of magnet technology, quite similar in certain ways to synchronous machinery. They require substantial flux density over relatively large volumes of space. Large flux density is required to have satisfactory force density. Satisfactory dynamic response requires that magnetic circuit permeances not be too large, implying large air gaps. Superconductors, which offer large magnetomotive forces and high flux density in low permeance circuits, appear to be desirable in these situations. Flux densities substantially in excess of those possible with iron can be produced, and no ferromagnetic material is required. Thus the inductance of active coils can be made low, indicating good dynamic response of the bearing system. The principal difficulty in using superconductors is, of course, the deep cryogenic temperatures at which they must operate. Because of the difficulties in working with liquid helium, the possibility of superconductors which can be operated in liquid nitrogen is thought to extend the number and range of applications of superconductivity. Critical temperatures of about 98 degrees Kelvin were demonstrated in a class of materials which are, in fact, ceramics. Quite a bit of public attention was attracted to these new materials. There is a difficulty with the ceramic superconducting materials which were developed to date. Current densities sufficient for use in large-scale applications have not been demonstrated. In order to be useful, superconductors must be capable of carrying substantial currents in the presence of large magnetic fields. The possible use of ceramic superconductors in magnetic bearings is investigated and discussed and requirements that must be achieved by superconductors operating at liquid nitrogen temperatures to make their use comparable with niobium-titanium superconductors operating at liquid helium temperatures are identified.

Kirtley, James L., Jr.↗

Frequency-Domain Analysis of Diffusion-Cooled Hot-Electron Bolometer Mixers

A new theoretical model is introduced to describe heterodyne mixer conversion efficiency and noise (from thermal fluctuation effects) in diffusion-cooled superconducting hot-electron bolometers. The model takes into account the non-uniform internal electron temperature distribution generated by Wiedemann-Franz heat conduction, and accepts for input an arbitrary (analytical or experimental) superconducting resistance-versus- temperature curve. A non-linear large-signal solution is solved iteratively to calculate the temperature distribution, and a linear frequency-domain small-signal formulation is used to calculate conversion efficiency and noise. In the small-signal solution the device is discretized into segments, and matrix algebra is used to relate the heating modulation in the segments to temperature and resistance modulations. Matrix expressions are derived that allow single-sideband mixer conversion efficiency and coupled noise power to be directly calculated. The model accounts for self-heating and electrothermal feedback from the surrounding bias circuit.

Skalare, A.↗

Dynamical Decoupling of Crosstalk on Superconducting Qubit Devices

Current NISQ devices are prone to errors. In order to be used for practical applications or achieve fault-tolerant thresholds, strategies to suppress error rates will be needed to maximize the potential of noisy devices. Dynamical decoupling (DD) is one such strategy for suppressing — or at least alleviating — the effects of decoherence, in which sequences of pulses are applied to qubits to decouple their interaction with the environment. Through experimental runs performed on several Rigetti quantum computing units (QPUs), we first demonstrate that DD is capable of improving coherence times for isolated qubits, as well as suppressing errors caused by the ZZ coupling between pairs of qubits. Extending this framework to cycles containing2-qubit gates, we show that DD can be inserted to decouple qubits from crosstalk occurring during neighboring 2-qubit gates, and demonstrate the efficacy of this procedure on quantum approximate optimization algorithm (QAOA) circuits. We also explore the usage of tailored DD sequences for the suppression of characterized error channels. We are grateful for support from the NASA Ames Research Center and from the DARPA ONISQ program under interagency agreement IAA 8839,Annex 114. HYH is supported by the USRA Feynman QuantumAcademy funded by the NAMS R&D Student Program and a UCHellman Fellowship. JS, ZGI and ZW are supported by USRA NASAAcademic Mission Service (NNA16BD14C).

Dynamical decoupling↗

Accurate electromagnetic modeling of terahertz detectors

Twin slot antennas coupled to superconducting devices have been developed over the years as single pixel detectors in the terahertz (THz) frequency range for space-based and astronomy applications. Used either for mixing or direct detection, they have been object of several investigations, and are currently being developed for several missions funded or co-funded by NASA. Although they have shown promising performance in terms of noise and sensitivity, so far they have usually also shown a considerable disagreement in terms of performance between calculations and measurements, especially when considering center frequency and bandwidth. In this paper we present a thorough and accurate electromagnetic model of complete detector and we compare the results of calculations with measurements. Starting from a model of the embedding circuit, the effect of all the other elements in the detector in the coupled power have been analyzed. An extensive variety of measured and calculated data, as presented in this paper, demonstrates the effectiveness and reliability of the electromagnetic model at frequencies between 600 GHz and 2.5THz.

Hot Electron Bolometer (HEB)↗

NASA Tech Briefs, December 2008

Topics covered include: Crew Activity Analyzer; Distributing Data to Hand-Held Devices in a Wireless Network; Reducing Surface Clutter in Cloud Profiling Radar Data; MODIS Atmospheric Data Handler; Multibeam Altimeter Navigation Update Using Faceted Shape Model; Spaceborne Hybrid-FPGA System for Processing FTIR Data; FPGA Coprocessor for Accelerated Classification of Images; SiC JFET Transistor Circuit Model for Extreme Temperature Range; TDR Using Autocorrelation and Varying-Duration Pulses; Update on Development of SiC Multi-Chip Power Modules; Radio Ranging System for Guidance of Approaching Spacecraft; Electromagnetically Clean Solar Arrays; Improved Short-Circuit Protection for Power Cells in Series; Electromagnetically Clean Solar Arrays; Logic Gates Made of N-Channel JFETs and Epitaxial Resistors; Improved Short-Circuit Protection for Power Cells in Series; Communication Limits Due to Photon-Detector Jitter; System for Removing Pollutants from Incinerator Exhaust; Sealing and External Sterilization of a Sample Container; Converting EOS Data from HDF-EOS to netCDF; HDF-EOS 2 and HDF-EOS 5 Compatibility Library; HDF-EOS Web Server; HDF-EOS 5 Validator; XML DTD and Schemas for HDF-EOS; Converting from XML to HDF-EOS; Simulating Attitudes and Trajectories of Multiple Spacecraft; Specialized Color Function for Display of Signed Data; Delivering Alert Messages to Members of a Work Force; Delivering Images for Mars Rover Science Planning; Oxide Fiber Cathode Materials for Rechargeable Lithium Cells; Electrocatalytic Reduction of Carbon Dioxide to Methane; Heterogeneous Superconducting Low-Noise Sensing Coils; Progress toward Making Epoxy/Carbon-Nanotube Composites; Predicting Properties of Unidirectional-Nanofiber Composites; Deployable Crew Quarters; Nonventing, Regenerable, Lightweight Heat Absorber; Miniature High-Force, Long-Stroke SMA Linear Actuators; "Bootstrap" Configuration for Multistage Pulse-Tube Coolers; Reducing Liquid Loss during Ullage Venting in Microgravity; Ka-Band Transponder for Deep-Space Radio Science; Replication of Space-Shuttle Computers in FPGAs and ASICs; Demisable Reaction-Wheel Assembly; Spatial and Temporal Low-Dimensional Models for Fluid Flow; Advanced Land Imager Assessment System; Range Imaging without Moving Parts.

Source record↗

An improved offset generator developed for Allan deviation measurement of ultra stable frequency standards

Measuring the performance of ultra stable frequency standards such as the Superconducting Cavity Maser Oscillator (SCMO) necessitates improvement of some test instrumentation. The frequency stability test equipment used at JPL includes a 1 Hz Offset Generator to generate a beat frequency between a pair of 100 MHz signals that are being compared. The noise floor of the measurement system using the current Offset Generator is adequate to characterize stability of hydrogen masers, but it is not adequate for the SCMO. A new Offset Generator with improved stability was designed and tested at JPL. With this Offset Generator and a new Zero Crossing Detector, recently developed at JPL, the measurement flow was reduced by a factor of 5.5 at 1 second tau, 3.0 at 1000 seconds, and 9.4 at 10,000 seconds, compared against the previous design. In addition to the new circuit designs of the Offset Generator and Zero Crossing Detector, tighter control of the measurement equipment environment was required to achieve this improvement. The design of this new Offset Generator are described, along with details of the environment control methods used.

R. L. Hamell↗

Slot antenna SIS mixers for submillimeter wavelengths

We are developing improved versions of a slot antenna SIS mixer which we have previously described. The initial work demonstrated a double sideband noise temperature of 420 K for a 500 GHz quasi-optical SIS mixer employing a twin-slot antenna on a quartz dielectric substrate. A quartz hyperhemispherical lens is used to focus the incoming radiation onto the twin-slot antenna. The advantages of a twin-slot antenna include a low impedance (35 omega) and a clean, symmetric beam pattern into the dielectric with a 70 percent efficiency. In our original mixer, the radiation was coupled from the two slot antennas onto superconducting microstrip lines which fed the SIS junction. By performing an impedance transformation using tapered lines and by feeding the radiation from the two slots to the junction in parallel, the effective (real) impedance seen by the junction was reduced to just 4 omega. This very low impedance allowed a junction area of 2.3 sq micron to be used at 500 GHz, which was manufactured using optical lithography. However, no attempt was made to tune out the junction capacitance. We estimate that this capacitance reduces the impedance coupling efficiency to eta(sub Z) approx. equals 0.23, for our junction with omega R(sub N) C = 5.3 at 500 GHz. The recent development of techniques using electron-beam lithography to manufacture junctions with very small areas (approx. equals 0.1 sq microns) now allows considerably more flexibility in the design of SIS mixer circuits. We have redesigned the slot-antenna mixer to take advantage of this possibility. In particular, we have included a novel circuit which allows the junction capacitance to be tune out over a broad bandwidth. For instance, mixers designed for 800 GHz using NbN/MgO/NbN junctions with realistic parameters achieve a 3 dB impedance bandwidth of nearly 400 GHz. Furthermore, our circuit uses only short lengths of microstrip and should be less sensitive to RF losses than other designs. The improved impedance match should give a large reduction in noise temperature as compared to our previous mixer. The new devices are currently under fabrication. Further details of the design and any available experimental results are discussed.

Zmuidzinas, Jonas↗

Superconducting Effects in Optimization of Magnetic Penetration Thermometers for X-ray Microcalorimeters

We have made high resolution x-ray microcalorimeters using superconducting MoAu bilayers and Nb meander coils. The temperature sensor is a Magnetic Penetration Thermometer (MPT). Operation is similar to metallic magnetic calorimeters, but instead of the magnetic susceptibility of a paramagnetic alloy, we use the diamagnetic response of the superconducting MoAu to sense temperature changes in an x-ray absorber. Flux-temperature responsivtty can be large for small sensor heat capacity, with enough dynamic range for applications. We find models of observed flux-temperature curves require several effects to explain flux penetration or expulsion in the microscopic devices. The superconductor is non-local, with large coherence length and weak pinning of flux. At lowest temperatures, behavior is dominated by screening currents that vary as a result of the temperature dependence of the magnetic penetration depth, modified by the effect of the nonuniformity of the applied field occurring on a scale comparable to the coherence length. In the temperature regime where responslvity is greatest, spadal variations in the order parameter become important: both local variations as flux enters/leaves the film and an intermediate state is formed, and globally as changing stability of the electrical circuit creates a Meissner transition and flux is expelled/penetrates to minimize free energy.

Stevenson, Thomas R.↗

NASA Tech Briefs, January 2013

Topics include: Single-Photon-Sensitive HgCdTe Avalanche Photodiode Detector; Surface-Enhanced Raman Scattering Using Silica Whispering-Gallery Mode Resonators; 3D Hail Size Distribution Interpolation/Extrapolation Algorithm; Color-Changing Sensors for Detecting the Presence of Hypergolic Fuels; Artificial Intelligence Software for Assessing Postural Stability; Transformers: Shape-Changing Space Systems Built with Robotic Textiles; Fibrillar Adhesive for Climbing Robots; Using Pre-Melted Phase Change Material to Keep Payloads in Space Warm for Hours without Power; Development of a Centrifugal Technique for the Microbial Bioburden Analysis of Freon (CFC-11); Microwave Sinterator Freeform Additive Construction System (MS-FACS); DSP/FPGA Design for a High-Speed Programmable S-Band Space Transceiver; On-Chip Power-Combining for High-Power Schottky Diode-Based Frequency Multipliers; FPGA Vision Data Architecture; Memory Circuit Fault Simulator; Ultra-Compact Transputer-Based Controller for High-Level, Multi-Axis Coordination; Regolith Advanced Surface Systems Operations Robot Excavator; Magnetically Actuated Seal; Hybrid Electrostatic/Flextensional Mirror for Lightweight, Large-Aperture, and Cryogenic Space Telescopes; System for Contributing and Discovering Derived Mission and Science Data; Remote Viewer for Maritime Robotics Software; Stackfile Database; Reachability Maps for In Situ Operations; JPL Space Telecommunications Radio System Operating Environment; RFI-SIM: RFI Simulation Package; ION Configuration Editor; Dtest Testing Software; IMPaCT - Integration of Missions, Programs, and Core Technologies; Integrated Systems Health Management (ISHM) Toolkit; Wind-Driven Wireless Networked System of Mobile Sensors for Mars Exploration; In Situ Solid Particle Generator; Analysis of the Effects of Streamwise Lift Distribution on Sonic Boom Signature; Rad-Tolerant, Thermally Stable, High-Speed Fiber-Optic Network for Harsh Environments; Towed Subsurface Optical Communications Buoy; High-Collection-Efficiency Fluorescence Detection Cell; Ultra-Compact, Superconducting Spectrometer-on-a-Chip at Submillimeter Wavelengths; UV Resonant Raman Spectrometer with Multi-Line Laser Excitation; Medicine Delivery Device with Integrated Sterilization and Detection; Ionospheric Simulation System for Satellite Observations and Global Assimilative Model Experiments - ISOGAME; Airborne Tomographic Swath Ice Sounding Processing System; flexplan: Mission Planning System for the Lunar Reconnaissance Orbiter; Estimating Torque Imparted on Spacecraft Using Telemetry; PowderSim: Lagrangian Discrete and Mesh-Free Continuum Simulation Code for Cohesive Soils; Multiple-Frame Detection of Subpixel Targets in Thermal Image Sequences; Metric Learning to Enhance Hyperspectral Image Segmentation; Basic Operational Robotics Instructional System; Sheet Membrane Spacesuit Water Membrane Evaporator; Advanced Materials and Manufacturing for Low-Cost, High-Performance Liquid Rocket Combustion Chambers; Motor Qualification for Long-Duration Mars Missions.

Source record↗

Bismuth Passivation Technique for High-Resolution X-Ray Detectors

The Athena-plus team requires X-ray sensors with energy resolution of better than one part in 3,000 at 6 keV X-rays. While bismuth is an excellent material for high X-ray stopping power and low heat capacity (for large signal when an X-ray is stopped by the absorber), oxidation of the bismuth surface can lead to electron traps and other effects that degrade the energy resolution. Bismuth oxide reduction and nitride passivation techniques analogous to those used in indium passivation are being applied in a new technique. The technique will enable improved energy resolution and resistance to aging in bismuth-absorber-coupled X-ray sensors. Elemental bismuth is lithographically integrated into X-ray detector circuits. It encounters several steps where the Bi oxidizes. The technology discussed here will remove oxide from the surface of the Bi and replace it with nitridized surface. Removal of the native oxide and passivating to prevent the growth of the oxide will improve detector performance and insulate the detector against future degradation from oxide growth. Placing the Bi coated sensor in a vacuum system, a reduction chemistry in a plasma (nitrogen/hydrogen (N2/H2) + argon) is used to remove the oxide and promote nitridization of the cleaned Bi surface. Once passivated, the Bi will perform as a better X-ray thermalizer since energy will not be trapped in the bismuth oxides on the surface. A simple additional step, which can be added at various stages of the current fabrication process, can then be applied to encapsulate the Bi film. After plasma passivation, the Bi can be capped with a non-diffusive layer of metal or dielectric. A non-superconducting layer is required such as tungsten or tungsten nitride (WNx).

Chervenak, James↗

Behavior of Particle Depots in Molten Silicon During Float-Zone Growth in Strong Static Magnetic Fields

In the photovoltaics industry, the largest market share is represented by solar cells made from multicrystalline silicon, which is grown by directional solidification. During the growth process, the silicon melt is in contact with the silicon nitride coated crucible walls and the furnace atmosphere which contains carbon monoxide. The dissolution of the crucible coating, the carbon bearing gas, and the carbon already present in the feedstock, lead to the precipitation of silicon carbide, and silicon nitride, at later stages of the growth process. The precipitation of Si3N4 and SiC particles of up to several hundred micrometers in diameter leads to severe problems during the wire sawing process for wafering the ingots. Furthermore the growth of the silicon grains can be negatively influenced by the presence of particles, which act as nucleation sources and lead to a grit structure of small grains and are sources for dislocations. If doped with Nitrogen from the dissolved crucible coating, SiC is a semi conductive material, and can act as a shunt, short circuiting parts of the solar cell. For these reasons, the incorporation of such particles needs to be avoided. In this contribution we performed model experiments in which the transport of intentionally added SiC particles and their interaction with the solid-liquid interface during float zone growth of silicon in strong steady magnetic fields was investigated. SiC particles of 7μm and 60μm size are placed in single crystal silicon [100] and [111] rods of 8mm diameter. This is achieved by drilling a hole of 2mm diameter, filling in the particles and closing the hole by melting the surface of the rod until a film of silicon covers the hole. The samples are processed under a vacuum of 1x10(exp -5) mbar or better, to prevent gas inclusions. An oxide layer to suppress Marangoni convection is applied by wet oxidation. Experiments without and with static magnetic field are carried out to investigate the influence of melt convection on the distribution of particles and their incorporation into the crystal. The field strengths applied by a superconducting magnet are 1T, 3T, 4.5T, and 5T. The increase in field strength dampens the melt flow, and so this study provides comparative data to the crystal growth experiment to be carried out onboard the sounding rocket mission TEXUS 51, where purely diffusive growth condition will be achieved under microgravity conditions.

Jauss, T.↗

A Synthesis of Fluid Dynamics and Quantum Chemistry for the Design of Nanoelectronics

In 1959, during a famous lecture entitled "There's Plenty of Room at the Bottom", Richard Feynman focused on the startling technical possibilities that would exist at the limit of miniaturization, that being atomically precise devices with dimensions in the nanometer range. A nanometer is both a convenient unit of length for medium to large sized molecules, and the root of the name of the new interdisciplinary field of "nanotechnology". Essentially, "nanoelectronics" denotes the goal of shrinking electronic devices, such as diodes and transistors, as well as integrated circuits of such devices that can perform logical operations, down to dimensions in the range of 100 nanometers. The thirty-year hiatus in the development of nanotechnology can figuratively be seen as a period of waiting for the bottom-up and atomically precise construction skills of synthetic chemistry to meet the top-down reductionist aspirations of device physics. The sub-nanometer domain of nineteenth-century classical chemistry has steadily grown, and state-of-the-art supramolecular chemistry can achieve atomic precision in non-repeating molecular assemblies of the size desired for nanotechnology. For nanoelectronics in particular, a basic understanding of the electron transport properties of molecules must also be developed. Quantum chemistry provides powerful computational methods that can accurately predict the properties of small to medium sized molecules on a desktop workstation, and those of large molecules if one has access to a supercomputer. Of the many properties of a molecule that quantum chemistry routinely predicts, the ability to carry a current is one that had not even been considered until recently. "Currently", there is a controversy over just how to define this key property. Reminiscent of the situation in high-Tc superconductivity, much of the difficulty arises from the different models that are used to simplify the complex electronic structure of real materials. A model-independent approach has been proposed, that sacrifices the plentiful molecular orbitals and Bloch functions of conventional approaches, for a single three-dimensional observable quantity, the electron momentum density Pi(sub rho). This quantity is simply the probability of any electron having momentum rho, multiplied by the total number of electrons in the system (the position of the electron is uncertain). We have explored the utility of this new approach in providing a fundamental understanding of the electron transport properties of molecules that have provi been nominated as candidates for components in the design of nanoelectronics; phenylene-ethynylene oligomers. Some of the molecular systems that have been studied are sketched below.

MacDougall, Preston J.↗