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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Implementation of a Drift Flux Model into SAM with Development of a Verification and Validation Test Suite for Modeling of Noncondensable Gas Mixtures

The advanced thermal-hydraulic system code, System Analysis Module (SAM), was originally developed for the modeling of single-phase flow in advanced reactors. It has since been expanded to include a four-equation drift flux model for the modeling of two-phase flows containing a noncondensable gas. The model was expanded to support the modeling of molten salt reactor (MSR) designs in which the fuel is directly dissolved in the circulating coolant. These designs have shown that circulating gas bubbles can play an important role in the management of fission products and the operational behavior of the reactor. A drift flux model was implemented to more accurately capture the localized behavior of the void in the core and its impact on the mass transfer of fission products. A thorough assessment of the new model was performed by developing a verification and validation test suite. Verification problems were designed to test all major terms in the new governing equations. The new model converged to the correct solution at the expected order of accuracy for all verification cases. The validation cases included a wide range of flow and void conditions in different pipe geometries. Although higher void experiments show a slight underprediction of void by the drift flux model, experiments that aim to reproduce Molten Salt Reactor Experiment (MSRE) experimental conditions show good agreement with the model. The gas transport model was activated for a SAM model of the MSRE to demonstrate that it can be used in a more complex model. Finally, this gas transport model will be used along with an interfacial area transport equation being implemented in SAM for the prediction of mass transport behavior in MSR conditions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Fit for Purpose: An Evolutionary Strategy for the Implementation and Verification of the Treaty on the Prohibition of Nuclear Weapons

The Treaty on the Prohibition of Nuclear Weapons requires States Parties to designate a “competent international authority or authorities” for negotiating and verifying the irreversible elimination of nuclear-weapons programs. Ensuring that such an authority or authorities is able to be fit for purpose when required to meet these tasks will be crucial for both the future implementation and legitimacy of the Treaty. To address this challenge, this article proposes the early creation of a two-part organizational structure, comprising an implementation support unit and a dedicated scientific and technical advisory body, to begin the process of institutionalizing the treaty, and build the technical basis for meeting its verification goals should a nuclear-weapon-possessing state decide to join. The article then discusses how such two-part structure could be scaled-up as a standing international organization tasked with the coordination of an ad hoc inspectorate, which would also cooperate and complement the work of existing nuclear verification organizations, such as the International Atomic Energy Agency. This evolutionary and adaptive strategy to institution building could empower the new Treaty by supporting the emergence of a new regime complex for nuclear disarmament, while taking into account the initially limited financial and technical resources of its member states.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2012

A NEW IMPLEMENTATION OF THE MAGNETOHYDRODYNAMICS-RELAXATION METHOD FOR NONLINEAR FORCE-FREE FIELD EXTRAPOLATION IN THE SOLAR CORONA

The magnetic field in the solar corona is usually extrapolated from a photospheric vector magnetogram using a nonlinear force-free field (NLFFF) model. NLFFF extrapolation needs considerable effort to be devoted to its numerical realization. In this paper, we present a new implementation of the magnetohydrodynamics (MHD) relaxation method for NLFFF extrapolation. The magnetofrictional approach, which is introduced for speeding the relaxation of the MHD system, is realized for the first time by the spacetime conservation-element and solution-element scheme. A magnetic field splitting method is used to further improve the computational accuracy. The bottom boundary condition is prescribed by incrementally changing the transverse field to match the magnetogram, and all other artificial boundaries of the computational box are simply fixed. We examine the code using two types of NLFFF benchmark tests, the Low and Lou semi-analytic force-free solutions and a more realistic solar-like case constructed by van Ballegooijen et al. The results show that our implementation is successful and versatile for extrapolations of either the relatively simple cases or the rather complex cases that need significant rebuilding of the magnetic topology, e.g., a flux rope. We also compute a suite of metrics to quantitatively analyze the results and demonstrate that the performance of our code in extrapolation accuracy basically reaches the same level of the present best-performing code, i.e., that developed by Wiegelmann.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

IMPLEMENTING TURBULENCE TRANSPORT IN THE CRONOS FRAMEWORK AND APPLICATION TO THE PROPAGATION OF CMEs

We present the implementation of turbulence transport equations in addition to the Reynolds-averaged magnetohydrodynamic equations within the Cronos framework. The model is validated by comparisons with earlier findings before it is extended to be applicable to regions in the solar wind that are not highly super-Alfvénic. We find that the respective additional terms result in absolute normalized cross-helicity to decline more slowly, while a proper implementation of the mixing terms can even lead to increased cross-helicities in the inner heliosphere. The model extension allows us to place the inner boundary of the simulations closer to the Sun, where we choose its location at 0.1 AU for future application to the Wang–Sheeley–Arge model. Here, we concentrate on effects on the turbulence evolution for transient events by injecting a coronal mass ejection (CME). We find that the steep gradients and shocks associated with these structures result in enhanced turbulence levels and reduced cross-helicity. Our results can now be used straightforwardly for studying the transport of charged energetic particles, where the elements of the diffusion tensor can now benefit from the self-consistently computed solar wind turbulence. Furthermore, we find that there is no strong back-reaction of the turbulence on the large-scale flow so that CME studies concentrating on the latter need not be extended to include turbulence transport effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Atomic forces from Dirac-Kohn-Sham equations: Implementation in flexible (APW+lo/LAPW)+LO basis set

The atomic forces formulation based on the Dirac-Kohn-Sham equation and the flexible (APW+lo/LAPW)+LO basis set is presented here. The formulation was implemented in the code FlapwMBPT and allows a user to easily switch between different basis functions of the augmentation type (APW or LAPW) and between different kind of local orbitals. Similar to the work (Phys.Rev.B 91 (2015) 035105), the implementation takes into account small discontinuities of the wave functions, density, and potential at the muffin-tin sphere boundaries. Applications to the materials with strong relativistic effects, such as $\alpha$-Uranium, PuCoGa$_{5}$, and FePt, demonstrate robustness of the method. The comparison of the calculated forces with the ones obtained by numerical differentiation of free energy shows close agreement with deviations about 0.1% or less.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

SILIA: software implementation of a multi-channel, multi-frequency lock-in amplifier for spectroscopy and imaging applications

In this work, we describe a software implementation of a multi-channel, multi-frequency Lock-in Amplifier (SILIA) to extract modulated signals from noisy data distributed over multiple channels of arbitrary number and size. This software implementation emulates the functionality of a multi-channel, multi-frequency lock-in amplifier in a post-processing step following data acquisition. Unlike most traditional lock-in amplifiers, SILIA can work with any number of input channels and is especially useful to analyze data distributed over many channels. We demonstrate the versatility and performance for extracting weak signals in spectroscopy and fluorescence microscopy. We also discuss more general applications and exhibit a method to automatically estimate error from a lock-in result.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Energy-dependent implementation of secondary electron emission models in continuum kinetic sheath simulations

The plasma-material interactions present in multiple fusion and propulsion concepts between the flow of plasma through a channel and a material wall drive the emission of secondary electrons. This emission is capable of altering the fundamental structure of the sheath region, significantly changing the expected particle fluxes to the wall. The emission spectrum is separated into two major energy regimes, a peak of elastically backscattered primary electrons at the incoming energy, and cold secondary electrons inelastically emitted directly from the material. The ability of continuum kinetic simulations to accurately represent the secondary electron emission is limited by relevant models being formulated in terms of monoenergetic particle interactions which cannot be applied directly to the discrete distribution function. As a result, rigorous implementation of energy-dependent physics is often neglected in favor of simplified, constant models. We present here a novel implementation of semi-empirical models in the boundary of continuum kinetic simulations which allows the full range of this emission to be accurately captured in physically-relevant regimes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

On the implementation of the spherical collapse model for dark energy models

In this work we review the theory of the spherical collapse model and critically analyse the aspects of the numerical implementation of its fundamental equations. By extending a recent work by [1], we show how different aspects, such as the initial integration time, the definition of constant infinity and the criterion for the extrapolation method (how close the inverse of the overdensity has to be to zero at the collapse time) can lead to an erroneous estimation (a few per mill error which translates to a few percent in the mass function) of the key quantity in the spherical collapse model: the linear critical overdensity δ{sub c}, which plays a crucial role for the mass function of halos. We provide a better recipe to adopt in designing a code suitable to a generic smooth dark energy model and we compare our numerical results with analytic predictions for the EdS and the ΛCDM models. We further discuss the evolution of δ{sub c} for selected classes of dark energy models as a general test of the robustness of our implementation. We finally outline which modifications need to be taken into account to extend the code to more general classes of models, such as clustering dark energy models and non-minimally coupled models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

A new implementation of dynamic polarizability evaluation using a multi-resolution multi-wavelet basis set

An algorithm to evaluate the response function on the space spanned by Multiresolution Multi-wavelet (MRMW) basis functions is implemented in a new efficient quantum chemical program system. Dynamic electric dipole polarizability of a molecule is evaluated for a range of applied optical frequencies as a preliminary application of the implementation. The results obtained by the MRMW provide the one in near completeness limit. We also compare a few examples of the dynamic polarizabilities evaluated using conventional Gaussian basis set functions with the one evaluated by the MMMW basis functions. For small frequencies, there is no significant difference among them and large Gaussian results are close to the MRMW value, but they diverge from the MRMW value when the applied frequency approaches to the resonance region.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

The implementation of Global Feature EXtractor (gFEX) - the ATLAS Calorimeter Level 1 Trigger system for LHC Run-3 upgrade

As part of the ATLAS Phase-I Upgrade, the global Feature EXtractor (gFEX) is one of several hardware modules designed to help maintain the ATLAS Level-1 trigger acceptance rate with the increasing Large Hadron Collider (LHC) luminosity and the increasing Pile-Up conditions. The gFEX is used to identify patterns of energy associated with the hadronic decays of high momentum Higgs, W & Z bosons, top quarks, and exotic particles in real time at the 40 MHz LHC bunch crossing rate. The board is required to receive coarse-granularity (Δη×Δphiv = 0.2×0.2 gTower) information from the entire ATLAS calorimeters on 276 optical fibers. A prototype v1 with one Xilinx ZYNQ FPGA, and one Vertex-7 FPGA for technology validation has been designed and tested in 2015. With the lessons learned from the prototype v1, a prototype v2 with three Vertex UltraScale FPGAs and one ZYNQ FPGA has been implemented to verify full functionalities of gFEX in 2016. Based on the prototype v2 design, a prototype v3, the final gFEX prototype, is implemented, which is an ATCA module consisting of three Vertex UltraScale+ FPGAs, one ZYNQ UltraScale+ SoC, and 35 MiniPODs. This board receives up to 300 fiber optical links from calorimeters and transmits trigger data on 96 links to the to the ATLAS Level-1 Topological trigger (L1Topo [1]) at the speed up to 12.8 Gb/s. There are also 24 electrical links on board for communication between two FPGAs with the speed up to 25.6 Gb/s. The performance of three prototype boards have been tested and evaluated. For the prototype v3 board, the high-speed optical links are stable at 12.8 Gb/s with Bit Error Ratio (BER) < 1 × 10 -15 . The low-latency parallel GPIO (General Purpose I/O) buses between FPGAs are stable at 1.12 Gb/s. The peripheral components of ZYNQ UltraScale+ SoC, such as 16 GB DDR4 DIMM, UART, SPI flashes, and Ethernet, have also been verified. Here, the test results of the prototype v3 board validate the gFEX technologies, architecture and full functionalities. Now the final production board is being produced.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Seeing the forest for the trees: implementing dynamic representation of forest management and forest carbon in a long-term global multisector model

Abstract Studies have found that understanding forest management is critical in understanding the interaction between the carbon cycle and the integrated human-Earth system. This makes effectively representing forest management decisions such as planting and harvesting important. Here, we implement a novel dynamic forest harvest model in a global state of the art multi-sector dynamics model, namely the Global Change Analysis Model (GCAM). We implement an approach that explicitly tracks forest age and generates rotation ages for forest harvest that are responsive to changes in wood prices, changes in forest age and regional preferences for forest rotation. Furthermore, the forest sector in GCAM competes for investment with other land use types in the future years based on expected profit. Our baseline scenario results indicate that with the new forest harvest model, the current global wood product demand in GCAM can be met with minimal loss of old growth forest through the age-based harvest decisions. We find that economic pressure for deforestation and consequent loss of forest carbon is a bigger driver of global forest change than wood harvests, especially in developing regions. Under alternative scenarios where an economic value is placed on carbon across the terrestrial and energy systems, while there is an increase in forest plantations, there can be corresponding decreases in forest cover in some regions as forest land competes with land for bio-energy crops. When the carbon in forests is assigned a price, we find that the average rotation age for wood harvests can be reduced across regions to harvest forests in a more carbon efficient manner.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Implementation of a practical Markov chain Monte Carlo sampling algorithm in PyBioNetFit

Abstract Summary Bayesian inference in biological modeling commonly relies on Markov chain Monte Carlo (MCMC) sampling of a multidimensional and non-Gaussian posterior distribution that is not analytically tractable. Here, we present the implementation of a practical MCMC method in the open-source software package PyBioNetFit (PyBNF), which is designed to support parameterization of mathematical models for biological systems. The new MCMC method, am, incorporates an adaptive move proposal distribution. For warm starts, sampling can be initiated at a specified location in parameter space and with a multivariate Gaussian proposal distribution defined initially by a specified covariance matrix. Multiple chains can be generated in parallel using a computer cluster. We demonstrate that am can be used to successfully solve real-world Bayesian inference problems, including forecasting of new Coronavirus Disease 2019 case detection with Bayesian quantification of forecast uncertainty. Availability and implementation PyBNF version 1.1.9, the first stable release with am, is available at PyPI and can be installed using the pip package-management system on platforms that have a working installation of Python 3. PyBNF relies on libRoadRunner and BioNetGen for simulations (e.g. numerical integration of ordinary differential equations defined in SBML or BNGL files) and Dask.Distributed for task scheduling on Linux computer clusters. The Python source code can be freely downloaded/cloned from GitHub and used and modified under terms of the BSD-3 license (https://github.com/lanl/pybnf). Online documentation covering installation/usage is available (https://pybnf.readthedocs.io/en/latest/). A tutorial video is available on YouTube (https://www.youtube.com/watch?v=2aRqpqFOiS4&t=63s). Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Conserved unique peptide patterns (CUPP) online platform 2.0: implementation of +1000 JGI fungal genomes

Carbohydrate-processing enzymes, CAZymes, are classified into families based on sequence and three-dimensional fold. Because many CAZyme families contain members of diverse molecular function (different EC-numbers), sophisticated tools are required to further delineate these enzymes. Such delineation is provided by the peptide-based clustering method CUPP, Conserved Unique Peptide Patterns. CUPP operates synergistically with the CAZy family/subfamily categorizations to allow systematic exploration of CAZymes by defining small protein groups with shared sequence motifs. The updated CUPP library contains 21,930 of such motif groups including 3,842,628 proteins. The new implementation of the CUPP-webserver, https://cupp.info/, now includes all published fungal and algal genomes from the Joint Genome Institute (JGI), genome resources MycoCosm and PhycoCosm, dynamically subdivided into motif groups of CAZymes. This allows users to browse the JGI portals for specific predicted functions or specific protein families from genome sequences. Thus, a genome can be searched for proteins having specific characteristics. All JGI proteins have a hyperlink to a summary page which links to the predicted gene splicing including which regions have RNA support. The new CUPP implementation also includes an update of the annotation algorithm that uses only a fourth of the RAM while enabling multi-threading, providing an annotation speed below 1 ms/protein.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2010

Implementation of two-party protocols in the noisy-storage model

The noisy-storage model allows the implementation of secure two-party protocols under the sole assumption that no large-scale reliable quantum storage is available to the cheating party. No quantum storage is thereby required for the honest parties. Examples of such protocols include bit commitment, oblivious transfer, and secure identification. Here, we provide a guideline for the practical implementation of such protocols. In particular, we analyze security in a practical setting where the honest parties themselves are unable to perform perfect operations and need to deal with practical problems such as errors during transmission and detector inefficiencies. We provide explicit security parameters for two different experimental setups using weak coherent, and parametric down-conversion sources. In addition, we analyze a modification of the protocols based on decoy states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes

We present an implementation of the time-dependent configuration-interaction singles (TDCIS) method for treating atomic strong-field processes. In order to absorb the photoelectron wave packet when it reaches the end of the spatial grid, we add to the exact nonrelativistic many-electron Hamiltonian a radial complex absorbing potential (CAP). We determine the orbitals for the TDCIS calculation by diagonalizing the sum of the Fock operator and the CAP using a flexible pseudospectral grid for the radial degree of freedom and spherical harmonics for the angular degrees of freedom. The CAP is chosen such that the occupied orbitals in the Hartree-Fock ground state remain unaffected. Within TDCIS, the many-electron wave packet is expanded in terms of the Hartree-Fock ground state and its single excitations. The virtual orbitals satisfy nonstandard orthogonality relations, which must be taken into consideration in the calculation of the dipole and Coulomb matrix elements required for the TDCIS equations of motion. We employ a stable propagation scheme derived by second-order finite differencing of the TDCIS equations of motion in the interaction picture and subsequent transformation to the Schroedinger picture. Using the TDCIS wave packet, we calculate the expectation value of the dipole acceleration and the reduced density matrix of the residual ion. The technique implemented will allow one to study electronic channel-coupling effects in strong-field processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Implementing quantum gates through scattering between a static and a flying qubit

We investigate whether a two-qubit quantum gate can be implemented in a scattering process involving a flying and a static qubit. To this end, we focus on a paradigmatic setup made out of a mobile particle and a quantum impurity, whose respective spin degrees of freedom couple to each other during a one-dimensional scattering process. Once a condition for the occurrence of quantum gates is derived in terms of spin-dependent transmission coefficients, we show that this can be actually fulfilled through the insertion of an additional narrow potential barrier. An interesting observation is that under resonance conditions this procedure enables a gate only for isotropic Heisenberg (exchange) interactions and fails for an XY interaction. We show the existence of parameter regimes for which gates able to establish a maximum amount of entanglement can be implemented. The gates are found to be robust to variations of the optimal parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Entanglement requirements for implementing bipartite unitary operations

We prove, using a method based on map-state duality, lower bounds on entanglement resources needed to deterministically implement a bipartite unitary using separable (SEP) operations, which include LOCC (local operations and classical communication) as a particular case. It is known that the Schmidt rank of an entangled pure state resource cannot be less than the Schmidt rank of the unitary. We prove that if these ranks are equal the resource must be uniformly (maximally) entangled: equal nonzero Schmidt coefficients. Higher rank resources can have less entanglement: we have found numerical examples of Schmidt rank 2 unitaries, which can be deterministically implemented, by either SEP or LOCC, using an entangled resource of two qutrits with less than one ebit of entanglement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Self-force via m-mode regularization and 2+1D evolution: Foundations and a scalar-field implementation on Schwarzschild spacetime

To model the radiative evolution of extreme mass-ratio binary inspirals (a key target of the LISA mission), the community needs efficient methods for computation of the gravitational self-force (SF) on the Kerr spacetime. Here we further develop a practical 'm-mode regularization' scheme for SF calculations, and give the details of a first implementation. The key steps in the method are (i) removal of a singular part of the perturbation field with a suitable 'puncture' to leave a sufficiently regular residual within a finite worldtube surrounding the particle's worldline, (ii) decomposition in azimuthal (m) modes, (iii) numerical evolution of the m modes in 2+1D with a finite-difference scheme, and (iv) reconstruction of the SF from the mode sum. The method relies on a judicious choice of puncture, based on the Detweiler-Whiting decomposition. We give a working definition for the ''order'' of the puncture, and show how it determines the convergence rate of the m-mode sum. The dissipative piece of the SF displays an exponentially convergent mode sum, while the m-mode sum for the conservative piece converges with a power law. In the latter case, the individual modal contributions fall off at large m as m{sup -n} for even n and as m{sup -n+1} for odd n, where n is the puncture order. We describe an m-mode implementation with a 4th-order puncture to compute the scalar-field SF along circular geodesics on Schwarzschild. In a forthcoming companion paper we extend the calculation to the Kerr spacetime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗