The technology path to deep greenhouse gas emissions cuts by 2050: The pivotal role of electricity
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54 ENVIRONMENTAL SCIENCES↗
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A chemical path to quantum information
The second quantum revolution is rapidly transforming fields like structural biology, cryptography, and condensed matter physics. The qubit is the core quantum unit, which has an infinite number of possible configurations through the superposition of its quantum states. This quantum property provides a unique approach for solving problems in computing, sensing, and metrology. Creating and manipulating qubits is a grand challenge, leading to a plethora of viable approaches. Spinbased molecular qubits are promising because they unify atomic scale spatial precision with structural customization for systems integration. Lombardi et al. exemplify this approach by constructing an electronic spin-based molecular qubit from a carefully engineered state in nanoscale graphene, providing an elegant example of atomic control over qubit design.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Patterns of Gene Content and Co-occurrence Constrain the Evolutionary Path toward Animal Association in Candidate Phyla Radiation Bacteria
Studying the genetic differences between related microorganisms from different environment types can indicate factors associated with their movement among habitats. This is particularly interesting for bacteria from the Candidate Phyla Radiation because their minimal metabolic capabilities require associations with microbial hosts.
59 BASIC BIOLOGICAL SCIENCES↗
Self-similar analogues of Stark ladders: a path to fractal potentials
We treat the eigenvalue problem posed by self-similar potentials, i.e. homogeneous functions under a particular affine transformation, by means of symmetry techniques. We find that the eigenfunctions of such problems are localized, evenwhen the potential does not rise to infinity in every direction. It is shown that the logarithm of the energy displays levels contained in families that are analogous toWannier–Stark ladders. The position of each ladder is proved to be determined by the specific details of the potential and not by its transformation properties. This is done by direct computation of matrix elements. The results are compared with numerical solutions of the Schrödinger equation.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Stability and Convergence of the String Method for Computing Minimum Energy Paths
Not provided.
Mathematics↗
Superbeams and neutrino factories — Two paths to intense accelerator-based neutrino beams
High-energy and high-beam power accelerators are extensively used for the neutrino physics research. At present, the leading operational facilities are the J-PARC facility in Japan, which recently approached 0.5 MW of the 30 GeV proton beam power, and the Fermilab Main Injector complex that delivers over 0.75 MW of 120 GeV protons on the neutrino target. Besides such type of neutrino superbeams, the concept of neutrino factories offers great promise for particle physics research. In this brief review we present the status and planned upgrades of the J-PARC and Fermilab accelerators and leading proposals for the next generation accelerator-based facilities of both types, their challenges and required and ongoing accelerator R&D programs aimed to address corresponding performance and cost risks.
43 PARTICLE ACCELERATORS↗
MFIX-Exa: A path toward exascale CFD-DEM simulations
MFIX-Exa is a computational fluid dynamics–discrete element model (CFD-DEM) code designed to run efficiently on current and next-generation supercomputing architectures. MFIX-Exa combines the CFD-DEM expertise embodied in the MFIX code—which was developed at NETL and is used widely in academia and industry—with the modern software framework, AMReX, developed at LBNL. The fundamental physics models follow those of the original MFIX, but the combination of new algorithmic approaches and a new software infrastructure will enable MFIX-Exa to leverage future exascale machines to optimize the modeling and design of multiphase chemical reactors.
97 MATHEMATICS AND COMPUTING↗
Carboxylate-based molecular magnet: One path toward achieving stable quantum correlations at room temperature
The control of quantum correlations in solid-state systems by means of material engineering is a broad avenue to be explored, since it makes possible steps toward the limits of quantum mechanics and the design of novel materials with applications on emerging quantum technologies. This letter explores the potential of molecular magnets to be prototypes of materials for quantum information technology in this context. More precisely, we engineered a material and from its geometric quantum discord we found significant quantum correlations up to 9540 K (even without entanglement); and, a pure singlet state occupied up to around 80 K (above liquid nitrogen temperature), additionally. Our results could only be achieved due to the carboxylate group promoting a metal-to-metal huge magnetic interaction.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Data for Robust Paths to Net Greenhouse Gas Mitigation and Negative Emissions via Advanced Biofuels
This zip file contains a UNIX-format DayCent model executable, input files, automation code, and associated directory structure necessary to re-produce the DayCent analysis underlying the manuscript. The main script “autodaycent.py” (written for Python 2.7) opens an interactive command line routine that facilitates: Calibrating the DayCent pine growth model; Initializing DayCent for a set of case studies sites; Executing an ensemble of model runs representing case study site reforestation, grassland restoration, or conversion to switchgrass cultivation; and Results analysis & generation of manuscript Fig. 3. Note that the interactive analysis code requires that all input files to be contained in the directory structure as uploaded, without modification. Executable versions of the DayCent model compatible with other operating systems are available upon request.
Feedstock Production↗
Tritium Control and Capture in Salt-Cooled Fission and Fusion Reactors: Status, Challenges, and Path Forward
Three advanced nuclear power systems use liquid salt coolants that generate tritium and thus face the common challenges of containing and capturing tritium to prevent its release to the environment. The fluoride salt–cooled high-temperature reactor (FHR) uses clean fluoride salt coolants and the same graphite-matrix coated-particle fuel as high-temperature gas-cooled reactors. Molten salt reactors (MSRs) dissolve the fuel in a fluoride or chloride salt with release of fission product tritium into the salt. In most FHR and MSR systems, the baseline salts contain lithium where isotopically separated 7 Li is proposed to minimize tritium production from neutron interactions with the salt. The Chinese Academy of Sciences plans to start operation of a 2-MW(thermal) molten salt test reactor by 2020. For high-magnetic-field fusion machines, the use of lithium enriched in 6 Li is proposed to maximize tritium generation—the fuel for a fusion machine. Advances in superconductors that enable higher power densities may require the use of molten lithium salts for fusion blankets and as coolants. Recent technical advances in these three reactor classes have resulted in increased government and private interest and the beginning of a coordinated effort to address the tritium control challenges in 700°C liquid salt systems. In this paper, we describe characteristics of salt-cooled fission and fusion machines, the basis for growing interest in these technologies, tritium generation in molten salts, the environment for tritium capture, models for high-temperature tritium transport in salt systems, alternative strategies for tritium control, and ongoing experimental work. Several methods to control tritium appear viable. Finally, limited experimental data are the primary constraint for designing efficient cost-effective methods of tritium control.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Dissecting the Functional Role of Key Residues in Triheme Cytochrome PpcA: A Path to Rational Design of G. sulfurreducens Strains with Enhanced Electron Transfer Capabilities
PpcA is the most abundant member of a family of five triheme cytochromes c7 in the bacterium Geobacter sulfurreducens (Gs) and is the most likely carrier of electrons destined for outer surface during respiration on solid metal oxides, a process that requires extracellular electron transfer. This cytochrome has the highest content of lysine residues (24%) among the family, and it was suggested to be involved in e2/H+ energy transduction processes. In the present work, we investigated the functional role of lysine residues strategically located in the vicinity of each heme group. Each lysine was replaced by glutamine or glutamic acid to evaluate the effects of a neutral or negatively charged residue in each position. The results showed that replacing Lys9 (located near heme IV), Lys18 (near heme I) or Lys22 (between hemes I and III) has essentially no effect on the redox properties of the heme groups and are probably involved in redox partner recognition. On the other hand, Lys43 (near heme IV), Lys52 (between hemes III and IV) and Lys60 (near heme III) are crucial in the regulation of the functional mechanism of PpcA, namely in the selection of microstates that allow the protein to establish preferential e2/H+ transfer pathways. The results showed that the preferred e2/H+ transfer pathways are only established when heme III is the last heme to oxidize, a feature reinforced by a higher difference between its reduction potential and that of its predecessor in the order of oxidation. We also showed that K43 and K52 mutants keep the mechanistic features of PpcA by establishing preferential e2/H+ transfer pathways at lower reduction potential values than the wild-type protein, a property that can enable rational design of Gs strains with optimized extracellular electron transfer capabilities.
59 BASIC BIOLOGICAL SCIENCES↗
Creating Human Readable Path Constraints from Symbolic Execution.
Abstract not provided.
Amon, Tod Tracy↗
Accelerating Control Systems with GitOps: A Path to Automation and Reliability
GitOps is a foundational approach for modernizing infrastructure by leveraging Git as the single source of truth for declarative configurations. The poster explores how GitOps transforms traditional control system infrastructure, services and applications by enabling fully automated, auditable, and version-controlled infrastructure management. Cloud-native and containerized environments are shifting the ecosystem not only in the IT industry but also within the computational science field, as is the case of CERN and Diamond Light Source among other Accelerator/Science facilities which are slowly shifting towards modern software and infrastructure paradigms. The ACORN project, which aims to modernize Fermilab’s control system infrastructure and software is implementing proven best-practices and cutting-edge technology standards including GitOps, containerization, infrastructure as code and modern data pipelines for control system data acquisition and the inclusion of AI/ML in our accelerator complex.
Gonzalez, M. [Fermilab]↗
Compliance Verification Paths for Residential and Commercial Energy Codes
This report looks at different ways to verify energy code compliance and to ensure that the energy efficiency goals of an adopted document are achieved. Conformity assessment is the body of work that ensures compliance, including activities that can ensure residential and commercial buildings satisfy energy codes and standards. This report identifies and discusses conformity-assessment activities and provides guidance for conducting assessments.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Target Diagnostics Supports NIF's Path to Ignition
The physics requirements derived from the National Ignition Facility (NIF) experimental campaigns are leading to a wide variety of target diagnostics. Software development for the control and analysis of these diagnostics is included in the NIF Integrated Computer Control System, Diagnostic Control System and Data Visualization. These projects implement the configuration, controls, data analysis and visual representation of most of these diagnostics. To date, over 40 target diagnostics have been developed to support NIF experiments. In 2011 diagnostics were developed or enhanced to measure Ignition performance in a high neutron yield environment. Performance is optimized around four key variables: Adiabat (a) which is the strength and timing of four shocks delivered to the target, Velocity (V) of the imploding target, Mix (M) is the uniformity of the burn, and the Shape (S) of the imploding Deuterium Tritium (DT) hot spot. The diagnostics used to measure each of these parameters is shown in figure 1. Adiabat is measured using the Velocity Interferometer System for Any Reflector (VISAR) diagnostic consisting of three streak cameras. To provide for more accurate adiabat measurements the VISAR streak cameras were enhanced in FY11 with a ten comb fiducial signal controller to allow for post shot correction of the streak camera sweep non-linearity. Mix is measured by the Neutron Time of Flight (NTOF) and Radiochemical Analysis of Gaseous Samples (RAGS) diagnostics. To accommodate high neutron yield shots, NTOF diagnostic controls are being modified to use Mach Zehnder interferometer signals to allow the digitizers to be moved from near the target chamber to the neutron shielded diagnostic mezzanine. In December 2011 the first phase of RAGS diagnostic commissioning will be completed. This diagnostic will analyze the tracers that are added to NIF target capsules that undergo nuclear reactions during the shot. These gases are collected and purified for nuclear counting by the RAGS system. Three new instrument controllers were developed and commissioned to support this diagnostic. A residual-gas analyzer (RGA) instrument measures the gas content at various points in the system. The Digital Gamma Spectrometer instrument measures the radiological spectrum of the decaying gas isotopes. A final instrument controller was developed to interface to a PLC based Gas collection system. In order to support the implosion velocity measurements an additional Gated X-ray Detector (GXD) diagnostic was tested and commissioned. This third GXD views the target through a slit contained in its snout and allows the other GXD diagnostics to be used for measuring the shape on the same shot. In order to measure the implosion shape in a high neutron environment, Actide Readout In A Neutron Environment (ARIANE) and Neutron Imaging (NI) diagnostics were commissioned. The controls for ARIANE, a fixed port gated x-ray imager, contain a neutron shielded camera and micro channel plate pulser with its neutron sensitive electronics located in the diagnostic mezzanine. The NI diagnostic is composed of two Spectral Instruments SI-1000 cameras located 20M from the target and provides neutron images of the DT hot spot for high yield shots. The development and commissioning of these new or enhanced diagnostics in FY11 have provided meaningful insight that facilitates the optimization of the four key Ignition variables. In FY12 they will be adding three new diagnostics and enhancing four existing diagnostics in support of the continuing optimization series of campaigns.
42 ENGINEERING↗
Establishing a Scientific Basis for Optimizing Compositions, Process Paths and Fabrication Methods for Nanostructured Ferritic Alloys for Use in Advanced Fission Energy Systems
The broad objective of this NEUP was to further develop a class of 12-15Cr ferritic alloys that are dispersion strengthened and made radiation tolerant by an ultrahigh density of Y-Ti-O nanofeatures (NFs) in the size range of less than 5 nm. We call these potentially transformable materials nanostructured ferritic alloys (NFAs). NFAs are typically processed by ball milling pre-alloyed rapidly solidified powders and yttria (Y2O3) powders. Proper milling effectively dissolves the Ti, Y and O solutes that precipitate as NFs during hot consolidation.
36 MATERIALS SCIENCE↗