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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.

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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

MCTP system model based on linear programming optimization of apertures obtained from sequencing patient image data maps

Purpose: The authors present a hybrid direct multileaf collimator (MLC) aperture optimization model exclusively based on sequencing of patient imaging data to be implemented on a Monte Carlo treatment planning system (MC-TPS) to allow the explicit radiation transport simulation of advanced radiotherapy treatments with optimal results in efficient times for clinical practice. Methods: The planning system (called CARMEN) is a full MC-TPS, controlled through aMATLAB interface, which is based on the sequencing of a novel map, called “biophysical” map, which is generated from enhanced image data of patients to achieve a set of segments actually deliverable. In order to reduce the required computation time, the conventional fluence map has been replaced by the biophysical map which is sequenced to provide direct apertures that will later be weighted by means of an optimization algorithm based on linear programming. A ray-casting algorithm throughout the patient CT assembles information about the found structures, the mass thickness crossed, as well as PET values. Data are recorded to generate a biophysical map for each gantry angle. These maps are the input files for a home-made sequencer developed to take into account the interactions of photons and electrons with the MLC. For each linac (Axesse of Elekta and Primus of Siemens) and energy beam studied (6, 9, 12, 15 MeV and 6 MV), phase space files were simulated with the EGSnrc/BEAMnrc code. The dose calculation in patient was carried out with the BEAMDOSE code. This code is a modified version of EGSnrc/DOSXYZnrc able to calculate the beamlet dose in order to combine them with different weights during the optimization process. Results: Three complex radiotherapy treatments were selected to check the reliability of CARMEN in situations where the MC calculation can offer an added value: A head-and-neck case (Case I) with three targets delineated on PET/CT images and a demanding dose-escalation; a partial breast irradiation case (Case II) solved with photon and electron modulated beams (IMRT + MERT); and a prostatic bed case (Case III) with a pronounced concave-shaped PTV by using volumetric modulated arc therapy. In the three cases, the required target prescription doses and constraints on organs at risk were fulfilled in a short enough time to allow routine clinical implementation. The quality assurance protocol followed to check CARMEN system showed a high agreement with the experimental measurements. Conclusions: A Monte Carlo treatment planning model exclusively based on maps performed from patient imaging data has been presented. The sequencing of these maps allows obtaining deliverable apertures which are weighted for modulation under a linear programming formulation. The model is able to solve complex radiotherapy treatments with high accuracy in an efficient computation time.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Turning statistical physics models into materials design engines

Despite the success statistical physics has enjoyed at predicting the properties of materials for given parameters, the inverse problem, identifying which material parameters produce given, desired properties, is only beginning to be addressed. Recently, several methods have emerged across disciplines that draw upon optimization and simulation to create computer programs that tailor material responses to specified behaviors. However, so far the methods developed either involve black-box techniques, in which the optimizer operates without explicit knowledge of the material's configuration space, or require carefully tuned algorithms with applicability limited to a narrow subclass of materials. Here we introduce a formalism that can generate optimizers automatically by extending statistical mechanics into the realm of design. The strength of this approach lies in its capability to transform statistical models that describe materials into optimizers to tailor them. Here, by comparing against standard black-box optimization methods, we demonstrate how optimizers generated by this formalism can be faster and more effective, while remaining straightforward to implement. The scope of our approach includes possibilities for solving a variety of complex optimization and design problems concerning materials both in and out of equilibrium.

36 MATERIALS SCIENCE↗
DOE OSTI2011

HUBBLE SPACE TELESCOPE OBSERVATIONS OF THE DOUBLE-PEAKED EMISSION LINES IN THE SEYFERT GALAXY MARKARIAN 78: MASS OUTFLOWS FROM A SINGLE ACTIVE GALACTIC NUCLEUS

Previous ground-based observations of the Seyfert 2 galaxy Mrk 78 revealed a double set of emission lines, similar to those seen in several active galactic nuclei (AGNs) from recent surveys. Are the double lines due to two AGNs with different radial velocities in the same galaxy, or are they due to mass outflows from a single AGN? We present a study of the outflowing ionized gas in the resolved narrow-line region (NLR) of Mrk 78 using observations from the Space Telescope Imaging Spectrograph (STIS) and Faint Object Camera aboard the Hubble Space Telescope as part of an ongoing project to determine the kinematics and geometries of AGN outflows. From the spectroscopic information, we determined the fundamental geometry of the outflow via our kinematics modeling program by recreating radial velocities to fit those seen in four different STIS slit positions. We determined that the double emission lines seen in ground-based spectra are due to an asymmetric distribution of outflowing gas in the NLR. By successfully fitting a model for a single AGN to Mrk 78, we show that it is possible to explain double emission lines with radial velocity offsets seen in AGN similar to Mrk 78 without requiring dual supermassive black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Surrogate Modeling for Capacity Planning of Charging Station Equipped with PV and Hydropneumatic Energy Storage

Due to the promising potential for environmental sustainability, there has been a significant increase of electric vehicles (EVs) and plug-in hybrid electric vehicles (PHEV) in the market. To support this increasing demand for EVs and PHEVs, challenges related to capacity planning and investment costs of public charging infrastructure must be addressed. Hence, in this paper, a capacity planning problem for EV charging stations is developed and aims to balance current capital investment costs and future operational revenue. The charging station considered in this work is assumed to be equipped with solar photovoltaic panel (PV) and an energy storage system which could be electric battery or the recently invented hydro-pneumatic energy storage (GLIDES, Ground-Level Integrated Diverse Energy Storage) system. A co-optimization model that minimizes investment and operation cost is established to determine the global optimal solution while combining the capacity and operational decision making. The operational decision making considers EV mobility which is modeled as an Erlang-loss system. Meanwhile, stochastic programming is adopted to capture uncertainties from solar radiation and charging demand of the EV fleet. To provide a more general and computationally efficient model, main configuration parameters are sampled in the design space and then fixed in solving the co-optimization model. The model can be used to provide insights for charging station placement in different practical situations. The sampled parameters include: the total number of EV charging slots, the PV area, the maximum capacity of the energy storage system, and daily mean EV arrival number in the Erlang-loss system. Based on the sampled parameter combinations and its responses, black-box mappings are then constructed using surrogate models (RBF, Kriging etc). The effectiveness of proposed surrogate modeling approach is demonstrated in the numerical experiments.

Chen, Yang↗
DOE OSTI2017

Fermilab proton accelerator complex status and improvement plans

Fermilab carries out an extensive program of accelerator-based high energy particle physics research at the Intensity Frontier that relies on the operation of 8 GeV and 120 GeV proton beamlines for a n umber of fixed target experiments. Routine operation with a world-record 700kW of average 120 GeV beam power on the neutrino target was achieved in 2017 as the result of the Proton Improvement Plan (PIP) upgrade. There are plans to further increase the power to 900 – 1000 kW. The next major upgrade of the FNAL accelerator complex, called PIP-II, is under development. It aims at 1.2MW beam power on target at the start of the LBNF/DUNE experiment in the middle of the next decade and assumes replacement of the existing 40-years old 400 MeV normal-conducting Linac with a modern 800 MeV superconducting RF linear accelerator. There are several concepts to further double the beam power to >2.4MW after replacement of the existing 8 GeV Booster synchrotron. In this article we discuss current performance of the Fermilab proton accelerator complex, the upgrade plans for the next two decades and the accelerator R&D program to address cost and performance risks for these upgrades.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Searching for Dark Matter and Dark Sectors

The overall objective of this project was to explore new particle and forces beyond those known in the Standard Model of particle physics. In particular, the research focused on low-mass dark sectors, especially below the mass of the proton (about 1 GeV). Dark sectors, which are particles that are not charged directly under the Standard Model forces, are an exciting theoretical possibility that could address several shortcomings of the Standard Model, including the existence of dark matter. The research accomplished the following: (1) Developed novel techniques and strategies for direct detection of sub-GeV dark matter, and provided the theoretical support for ongoing direct-detection efforts. (2) Investigated new models of dark sectors, and derived new constraints from cosmology, astrophysics, and terrestrial experiments. This includes an investigation of models with dark-matter self-interactions that could help form supermassive black holes in the early Universe. (3) Explored new opportunities for dark-sector searches with existing and planned experiments. This includes providing the theoretical support to two experiments I helped propose, the A' Experiment (APEX) and the Heavy Photon Search (HPS), both at Jefferson Lab. The proposed research program significantly advanced the search for new particles and new forces. The outcomes and impact were: (1) It further enabled direct-detection experiments to probe vast regions of uncharted dark matter parameter space down to MeV masses, about three orders of magnitude lower in mass than traditional direct-detection strategies. (2) It exposed gaps in current experimental exploration, prompting new ideas for how these might be probed, and revealed how dark sectors might impact structure in our Universe. (3) It increased the discovery potential of dark sectors at three experimental frontiers–the energy, intensity, and cosmic frontiers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Energy Equity and Environmental Justice Summit Report 2022

Pacific Northwest National Laboratory (PNNL) hosted a limited-engagement Energy Equity and Environmental Justice (EEEJ) Summit on September 28, 2022, with the Department of Energy (DOE) Office of Economic Impact and Diversity (DOE-ED) and DOE national laboratories: Argonne National Laboratory, Idaho National Laboratory, Lawrence Livermore National Laboratory, National Renewable Energy Laboratory, Oak Ridge National Laboratory, Sandia National Laboratories, and Savannah River National Laboratory. The goal of the Summit was for labs to highlight their capabilities in the EEEJ space and connect them to DOE-ED’s mission and goals as well as share lessons learned and best practices in our various programmatic spaces. The event commenced with an opening address from Director Shalanda Baker (DOE-ED), which included a call to action for the national labs. Three presentation panels followed, giving insights to the programs stewarded by national laboratories that are currently taking steps to enhance the way science is implemented through equity and justice lenses. A roundtable discussion concluded the Summit and highlighted lessons learned, gaps, challenges, opportunities, and future needs that will improve the impact and partnership of EEEJ work at DOE, national laboratories, at other agencies and institutions, and in other programmatic areas. Interest among participants to stay connected and coordinated and to partner on EEEJ work across labs was emphasized, including a suggestion to establish an intra-laboratory community of practice.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Air Leakage and Air Transfer Between Garage and Living Space

This research project focused on evaluation of air transfer between the garage and living space in a single-family detached home constructed by a production homebuilder in compliance with the 2009 International Residential Code and the 2009 International Energy Conservation Code. The project gathered important information about the performance of whole-building ventilation systems and garage ventilation systems as they relate to minimizing flow of contaminated air from garage to living space. Important gaps and barriers addressed by this research were: (1) Developing recommendations for effective methods for precluding the flow of contaminated air from garages to living space. (2) Creating a resource for guiding home builders and retrofitters to achieve garage isolation by use of mechanical ventilation equipment. (3) Providing field measurement support for revision of the EPA Indoor airPLUS program requirements, which are part of the DOE Challenge Home program. Field test data provided in the form of technical report showing blower door test results for air leakage measurements and tracer gas testing results. Waldorf, MD 20602

Array↗
DOE OSTI2023

Effects of the evolving early Moon and Earth magnetospheres

Recently it has been identified that our Moon had an extensive magnetosphere for several hundred million years soon after it was formed when the Moon was within 20 Earth Radii (R E ) from the Earth. Some aspects of the interaction between the early Earth-Moon magnetospheres are investigated by mapping the interconnected field lines between the Earth and the Moon and investigating how the early lunar magnetosphere affects the magnetospheric dynamics within the coupled magnetospheres over time. So long as the magnetosphere of the Moon remains strong as it moves away from the Earth in the antialigned dipole configuration, the extent of the Earth’s open field lines decreases. As a result, at times it significantly changes the structure of the field-aligned current system, pushing the polar cusp significantly northward, and forcing magnetotail reconnection sites into the deeper tail region. In addition, the combined magnetospheres of the Earth and the Moon greatly extend the number of closed field lines enabling a much larger plasmasphere to exist and connecting the lunar polar cap with closed field lines to the Earth. That configuration supports the transfer of plasma between the Earth and the Moon potentially creating a time capsule of the evolution of volatiles with depth. This paper only touches on the evolution of the early Earth and Moon magnetospheres, which has been a largely neglected space physics problem and has great potential for complex follow-on studies using more advanced tools and due to the expected new lunar data coming in the next decade through the Artemis Program.

Astronomy & Astrophysics↗
DOE OSTI2023

Simultaneous Measurements of Noncommuting Observables: Positive Transformations and Instrumental Lie Groups

We formulate a general program for describing and analyzing continuous, differential weak, simultaneous measurements of noncommuting observables, which focuses on describing the measuring instrument autonomously, without states. The Kraus operators of such measuring processes are time-ordered products of fundamental differential positive transformations, which generate nonunitary transformation groups that we call instrumental Lie groups. The temporal evolution of the instrument is equivalent to the diffusion of a Kraus-operator distribution function, defined relative to the invariant measure of the instrumental Lie group. This diffusion can be analyzed using Wiener path integration, stochastic differential equations, or a Fokker-Planck-Kolmogorov equation. This way of considering instrument evolution we call the Instrument Manifold Program. We relate the Instrument Manifold Program to state-based stochastic master equations. We then explain how the Instrument Manifold Program can be used to describe instrument evolution in terms of a universal cover that we call the universal instrumental Lie group, which is independent not just of states, but also of Hilbert space. The universal instrument is generically infinite dimensional, in which case the instrument’s evolution is chaotic. Special simultaneous measurements have a finite-dimensional universal instrument, in which case the instrument is considered principal, and it can be analyzed within the differential geometry of the universal instrumental Lie group. Principal instruments belong at the foundation of quantum mechanics. We consider the three most fundamental examples: measurement of a single observable, position and momentum, and the three components of angular momentum. As these measurements are performed continuously, they converge to strong simultaneous measurements. For a single observable, this results in the standard decay of coherence between inequivalent irreducible representations. For the latter two cases, it leads to a collapse within each irreducible representation onto the classical or spherical phase space, with the phase space located at the boundary of these instrumental Lie groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Expedited Walkdowns and Preparation of Cost Estimates for Decontamination and Demolition of Excess Facilities - 20335

Lawrence Livermore National Security, LLC (LLNS) is the prime contractor responsible for managing and operating Lawrence Livermore National Laboratory (LLNL). The mission of the LLNL is to strengthen security of the United States through development and application of world-class science and technology to enhance the nation's defense, reduce the global threat from terrorism and weapons of mass destruction, and respond with vision, quality, integrity, and technical excellence to scientific issues of national importance. To accomplish its mission, LLNL must plan and manage its campus space and facilities to optimize use of its relatively small one-square-mile footprint. LLNL currently has numerous excess facilities that require decontamination and demolition (D and D). The LLNL Legacy Facility Program is responsible for stewardship and risk reduction programs to effectively manage these excess assets at LLNL. The Legacy Facility Program identified 10 excess facilities at LLNL that were candidates for demolition based on risks from further degradation of the facilities, potential exposure to hazardous materials, or need for removal to make way for new program facilities. The buildings range from a structure built in 1943 to serve as a US Navy drill hall during World War II, to a facility that provided neutrons to study material properties for the fusion energy program. The National Nuclear Security Administration (NNSA) appropriated FY19 funding for the development of Class 3 estimates for these 10 excess facilities that would be used to develop a Program Management Plan for funding consideration. Class 3 estimates are not conceptual, nor overly detailed, but adequate to be used for budget and appropriation purposes. Using existing strategic sourcing agreements, LLNL was able to organize a team of senior subject matter experts (SMEs) with diverse technical backgrounds across the Department of Energy (DOE) Complex to complete extensive process knowledge (PK) reviews and walk-downs of each excess facility and to deliver accurate and complete estimates under an expedited schedule (i.e., within eight weeks). To facilitate the expedited schedule, LLNL was fully prepared for the arrival of the JGMS team, which consisted of the following companies: J.G. Management Systems, Inc. (JGMS); Strata-G, LLC; and Michael Baker International. LLNL provided background and PK information on the excess facilities, pictures, supporting historical documentation, and radiological survey history as well as escorted access to the facilities. The JGMS team has previous experience supporting Program Management Plans for excess facilities at the Y-12 National Security Complex. The team mobilized to LLNL and performed the facility walk-downs from January 22-25, 2019. Using a methodical evaluation process, expertise, and experience, the team was able to deliver walk-down draft reports and estimates to LLNL before their February 8, 2019 deadline. LLNL then in turn reviewed, completed the estimates by adding waste management costs and other LLNL costs, and delivered the estimates to NNSA by February 15, 2019. The completed final reports, including draft D and D estimates, were delivered to LLNL before their March 6, 2019 deadline. The work was successfully completed ahead of the expedited schedule required by LLNL, resulting in a commendation from the client. This paper describes how the partnership and collaboration as a fully integrated team comprised of the prime contractor, LLNS, and the JGMS team successfully met the needs of the US government, resulting in the performance of expedited site walk-downs, the development of summary evaluation reports, and the preparation of draft Class 3 estimates and preliminary schedules for the D and D of 10 excess facilities at LLNL. The efforts of the team will enable the D and D of the first excess facility in the 2020-2021 time frame. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

THE SINS/zC-SINF survey of z ∼ 2 galaxy kinematics: Rest-frame morphology, structure, and colors from near-infrared hubble space telescope imaging

We present the analysis of Hubble Space Telescope (HST) J- and H-band imaging for 29 galaxies on the star-forming main sequence at z ∼ 2, which have adaptive optics Very Large Telescope SINFONI integral field spectroscopy from our SINS/zC-SINF program. The SINFONI Hα data resolve the ongoing star formation and the ionized gas kinematics on scales of 1–2 kpc; the near-IR images trace the galaxies’ rest-frame optical morphologies and distributions of stellar mass in old stellar populations at a similar resolution. The global light profiles of most galaxies show disk-like properties well described by a single Sérsic profile with n∼1, with only ∼15% requiring a high n>3 Sérsic index, all more massive than 10{sup 10} M{sub ⊙}. In bulge+disk fits, about 40% of galaxies have a measurable bulge component in the light profiles, with ∼15% showing a substantial bulge-to-total ratio (B/T) B/T≳0.3. This is a lower limit to the frequency of z ∼ 2 massive galaxies with a developed bulge component in stellar mass because it could be hidden by dust and/or outshined by a thick actively star-forming disk component. The galaxies’ rest-optical half-light radii range between 1 and 7 kpc, with a median of 2.1 kpc, and lie slightly above the size–mass relation at these epochs reported in the literature. This is attributed to differences in sample selection and definitions of size and/or mass measurements. The (u−g){sub rest} color gradient and scatter within individual z ∼ 2 massive galaxies with ≳10{sup 11} M{sub ⊙} are as high as in z = 0 low-mass, late-type galaxies and are consistent with the high star formation rates of massive z ∼ 2 galaxies being sustained at large galactocentric distances.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The HST See Change Program. I. Survey Design, Pipeline, and Supernova Discoveries*

The See Change survey was designed to make z > 1 cosmological measurements by efficiently discovering high-redshift Type Ia supernovae (SNe Ia) and improving cluster mass measurements through weak lensing. This survey observed twelve galaxy clusters with the Hubble Space Telescope (HST) spanning the redshift range z = 1.13–1.75, discovering 57 likely transients and 27 likely SNe Ia at z ~ 0.8–2.3. As in similar previous surveys, this proved to be a highly efficient use of HST for supernova observations; the See Change survey additionally tested the feasibility of maintaining, or further increasing, the efficiency at yet higher redshifts, where we have less detailed information on the expected cluster masses and star formation rates. Furthermore, we find that the resulting number of SNe Ia per orbit is a factor of ~8 higher than for a field search, and 45% of our orbits contained an active SN Ia within 22 rest-frame days of peak, with one of the clusters by itself yielding 6 of the SNe Ia. We present the survey design, pipeline, and supernova discoveries. Novel features include fully blinded supernova searches, the first random forest candidate classifier for undersampled IR data (with a 50% detection threshold within 0.05 mag of human searchers), real-time forward-modeling photometry of candidates, and semi-automated photometric classifications and follow-up forecasts. We also describe the spectroscopic follow-up, instrumental in measuring host galaxy redshifts. The cosmology analysis of our sample will be presented in a companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Hubble space telescope high-resolution imaging of Kepler small and cool exoplanet host stars

High-resolution imaging is an important tool for follow-up study of exoplanet candidates found via transit detection with the Kepler mission. We discuss here Hubble Space Telescope imaging with the WFC3 of 23 stars that host particularly interesting Kepler planet candidates based on their small size and cool equilibrium temperature estimates. Results include detections, exclusion of background stars that could be a source of false positives for the transits, and detection of physically associated companions in a number of cases providing dilution measures necessary for planet parameter refinement. For six Kepler objects of interest, we find that there is ambiguity regarding which star hosts the transiting planet(s), with potentially strong implications for planetary characteristics. Our sample is evenly distributed in G, K, and M spectral types. Albeit with a small sample size, we find that physically associated binaries are more common than expected at each spectral type, reaching a factor of 10 frequency excess in M. We document the program detection sensitivities, detections, and deliverables to the Kepler follow-up program archive.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Exploiting Identical Generators in Unit Commitment

Here, we present sufficient conditions under which thermal generators can be aggregated in mixed-integer linear programming (MILP) formulations of the unit commitment (UC) problem, while maintaining feasibility and optimality for the original disaggregated problem. Aggregating thermal generators with identical characteristics (e.g., minimum/maximum power output, minimum up/down-time, and cost curves) into a single unit reduces redundancy in the search space induced by both exact symmetry (permutations of generator schedules) and certain classes of mutually non-dominated solutions. We study the impact of aggregation on two large-scale UC instances, one from the academic literature and another based on real-world operator data. Our computational tests demonstrate that when present, identical generators can negatively affect the performance of modern MILP solvers on UC formulations. Further, we show that our reformation of the UC MILP through aggregation is an effective method for mitigating this source of computational difficulty.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans- Azomethane

This work presents a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane, using the ab initio multiple spawning (AIMS) program that has been interfaced with the General Atomic and Molecular Electronic Structure System (GAMESS) quantum chemistry package for on-the-fly electronic structure evaluation. The interface strategy is discussed, and the capabilities of the combined programs are demonstrated with a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane. Energies, gradients, and nonadiabatic coupling matrix elements were obtained with the state-averaged complete active space self-consistent field method, as implemented in GAMESS. The influence of initial vibrational excitation on the outcome of the photoinduced isomerization is explored. Increased vibrational excitation in the CNNC torsional mode shortens the excited state lifetime. Depending on the degree of vibrational excitation, the excited state lifetime varies from ~60–200 fs. As a result, these short lifetimes are in agreement with time-resolved photoionization mass spectroscopy experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

RAG-3D: A search tool for RNA 3D substructures

In this study, to address many challenges in RNA structure/function prediction, the characterization of RNA's modular architectural units is required. Using the RNA-As-Graphs (RAG) database, we have previously explored the existence of secondary structure (2D) submotifs within larger RNA structures. Here we present RAG-3D—a dataset of RNA tertiary (3D) structures and substructures plus a web-based search tool—designed to exploit graph representations of RNAs for the goal of searching for similar 3D structural fragments. The objects in RAG-3D consist of 3D structures translated into 3D graphs, cataloged based on the connectivity between their secondary structure elements. Each graph is additionally described in terms of its subgraph building blocks. The RAG-3D search tool then compares a query RNA 3D structure to those in the database to obtain structurally similar structures and substructures. This comparison reveals conserved 3D RNA features and thus may suggest functional connections. Though RNA search programs based on similarity in sequence, 2D, and/or 3D structural elements are available, our graph-based search tool may be advantageous for illuminating similarities that are not obvious; using motifs rather than sequence space also reduces search times considerably. Ultimately, such substructuring could be useful for RNA 3D structure prediction, structure/function inference and inverse folding.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

Atom chip microscopy: A novel probe for strongly correlated materials

Improved measurements of strongly correlated systems will enable the predicative design of the next generation of supermaterials. In this program, we are harnessing recent advances in the quantum manipulation of ultracold atomic gases to expand our ability to probe these technologically important materials in heretofore unexplored regions of temperature, resolution, and sensitivity parameter space. We are working to demonstrate the use of atom chips to enable single-shot, large area detection of magnetic flux at the 10 -7 flux quantum (Φ 0 ) level and below. By harnessing the extreme sensitivity of atomic clocks and Bose-Einstein condensates (BECs) to external perturbations, the cryogenic atom chip technology developed here will provide a magnetic flux detection capability that surpasses other techniques---such as scanning SQUIDs---by a factor of 10 1 --10 3 . We are testing the utility of this technique by using rubidium BECs to image the magnetic fields emanating from charge transport and magnetic domain percolation in strongly correlated materials as they undergo temperature-tuned metal--to--insulator phase transitions. Cryogenic atom chip microscopy introduces three very important features to the toolbox of high-resolution, strongly correlated material microscopy: simultaneous detection of magnetic and electric fields (down to the sub-single electron charge level); no invasive large magnetic fields or gradients; simultaneous micro- and macroscopic spatial resolution; freedom from 1/f flicker noise at low frequencies; and, perhaps most importantly, the complete decoupling of probe and sample temperatures. The first of these features will play an important role in studying the interplay between magnetic and electric domain structure. The last two are crucial for low frequency magnetic noise detection in, e.g., the cuprate pseudogap region and for precision measurements of transport in the high temperature, technologically relevant regime inaccessible to other techniques based on superconducting scanning probes. In periods 1--3 of this grant, which we now close at the University of Illinois at Urbana-Champaign and restart at Stanford University where our new lab is being built, we have demonstrated the ability to rapidly create Rb BECs and trap them within microns of a surface in a cryostat. Period 4 of this grant, to be performed at Stanford, will demonstrate the feasibility of using atom chips with a BEC to image transport features on a cryogenically cooled surface. Successful demonstration, in future funding cycles, will lead directly to the use of system for studies of transport in exotic and technologically relevant materials such as cuprate superconductors and topological insulators.

74 ATOMIC AND MOLECULAR PHYSICS↗