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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Requirements Description of DASSH-F

This report reviews the modeling and simulation capabilities of Argonne National Laboratory’s DASSH code that is used in present reactor analysis activities. These capabilities will be used to establish the set of verification tasks necessary to verify DASSH for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The DASSH program is a thermal analysis code designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. DASSH is a follow-on development to the SE2-ANL software and SUPERENERGY-2 software that it is based upon. DASSH was designed to account for both neutron and gamma heating and is inherently connected to the GAMSOR part of the ARC suite of fast reactor analysis software. SE2-ANL is a developed piece of software from the 1980s while DASSH is a modern implementation with notable improvements in geometry handling. The most important upgrade of DASSH relative to SE2-ANL is that it can analyze multiple time points in a single run where SE2-ANL can only treat a single time point. This allows the user to understand the impact of and search the flow distribution for the entire operational period of a reactor design considering pressure drop, peak coolant and fuel temperatures, and thermal striping. DASSH has three input paths that have to be verified. The first input path builds the geometry and power distribution based upon the DIF3D model but ignores the gamma heating aspects of the problem. The second input path also builds the geometry from the DIF3D model but it takes the neutron and gamma heating distributions from GAMSOR. The third input path is to take the geometry and power distribution directly from user input (i.e. not coupled to DIF3D or GAMSOR). DASSH also has many built in correlations for material properties along with a user defined specification of the fuel, structure, and coolant properties. There are correlations for flow split, mixing, pressure drop, and heat transfer coefficients (subchannel rather than a direct methodology). In total, verification of DASSH will require an extensive testing to cover all possible user features of the software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

THM: the MOOSE thermal hydraulics module

The MOOSE Thermal Hydraulics Module (THM) is designed to facilitate the development of thermal hydraulic system models. It provides the capability to assemble networks of coupled components such as pipes, junctions, valves, turbomachinery, and heat exchangers. Its library of components supports a single-phase, compressible flow model based on a variable-area formulation of the Euler equations of gas dynamics and discretized using a finite volume scheme. THM offers a flexible system for specifying closures such as friction factors or heat transfer coefficients, allowing the user to choose from built-in correlations or define their own in the input file. A control logic system can be used to control input parameters, necessary for implementing transient scenarios and mirroring real control systems in thermal hydraulic systems. THM can be coupled with other MOOSE-based applications for multiphysics calculations. This talk will give an introduction to the capabilities of THM and provide some examples of its usage and validation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

MOOSE Thermal-Hydraulics Module - MOOSE workshop

The MOOSE Thermal Hydraulics Module (THM) is designed to facilitate the development of thermal hydraulic system models. It provides the capability to assemble networks of coupled components such as pipes, junctions, valves, turbomachinery, and heat exchangers. Its library of components supports a single-phase, compressible flow model based on a variable-area formulation of the Euler equations of gas dynamics and discretized using a finite volume scheme. THM offers a flexible system for specifying closures such as friction factors or heat transfer coefficients, allowing the user to choose from built-in correlations or define their own in the input file. A control logic system can be used to control input parameters, necessary for implementing transient scenarios and mirroring real control systems in thermal hydraulic systems. THM can be coupled with other MOOSE-based applications for multiphysics calculations. This training will give an introduction to the capabilities of THM and provide some examples of its usage and validation.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2021

An Investigation of the Effects of Volume Fraction on Drag Coefficient of Non-Spherical Particles Using PR-DNS

Prediction of the drag coefficient is required in gas-particle multiphase flow modeling and simulation. Experimental data and correlations on the fixed-bed system of spherical particles with high volume fractions for various possible arrangements are available in the literature. However, the effect of volume fraction on the drag coefficient of non-spherical particles is not well studied. In solving the momentum equation, the volume fraction plays a vital role in determining the flow resistances. In this paper, we study the impact of volume fraction in the range of 0.069 to 0.65 on the drag coefficient using the computational fluid dynamics (CFD) simulation of air for Reynold number in the range of 10 to 10000 using particle resolved direct numerical solution (PR-DNS). Regular non-spherical particles such as a cube, tetrahedron, and spheroids are used in this study since their single particle’s drag coefficient data are available in the literature for comparison. For this work, the simulations are carried out in the Ansys Fluent using polyhedral mesh, which consumes significantly less computational time and power. The study showed the sphericity and volume fraction have significant impact on the bed pressure drop and average drag coefficient of the particles in the bed especially in high Reynolds number regime. The bed of the spheroid experiences the lowest drag being the most streamlined particle, and the particles with the edges result in a large drag coefficient due to flow separation at the discontinuity. The vector plots verify this behavior where large wake regions are observed behind the tetrahedron particle.

Mahyawansi, Pratik↗
DOE OSTI2021

Exploring origins for correlations between flow harmonics and transverse momentum in small collision systems

High statistics data sets from experiments at the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC) with small and large collision species have enabled a wealth of new flow measurements, including the event-by-event correlation between observables. One exciting such observable $ρ(v^2_n, [p_T])$ gauges the correlation between the mean transverse momentum of particles in an event and the various flow coefficients (v n ) in the same event [P. Bozek, Phys. Rev. C 93, 044908 (2016)]. Recently it has been proposed that very low multiplicity events may be sensitive to initial-state glasma correlations [G. Giacalone, B. Schenke, and C. Shen, Phys. Rev. Lett. 125, 192301 (2020)] rather than flow-related dynamics. We find utilizing the ip-jazma framework that the color domain explanation for the glasma results are incomplete. We then explore predictions from pythia8, and the version for including nuclear collisions called pythia-angantyr, which have only nonflow correlations, and from the ampt model which has both nonflow and flow-type correlations. We find that pythia-angantyr has nonflow contributions to $ρ(v^2_n, [p_T])$ in p + O, p + Pb, and O + O collisions that are positive at low multiplicity and comparable to the glasma correlations. It is striking that in pythia8 in p + p collisions there is actually a sign change from positive to negative $ρ(v^2_n, [p_T])$ as a function of multiplicity. The ampt results match the experimental data general trends in Pb+Pb collisions at the LHC, except at low multiplicity where ampt has the opposite sign. In p + Pb collisions, ampt has the opposite sign from experimental data and we explore this within the context of parton geometry. Predictions for p + O, O + O, and Xe + Xe are also presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Gluonic hot spot initial conditions in heavy-ion collisions

The initial conditions in heavy-ion collisions are calculated in many different frameworks. The importance of nucleon position fluctuations within the nucleus and subnucleon structure has been established when modeling initial conditions for input to hydrodynamic calculations. However, there remain outstanding puzzles regarding these initial conditions, including the measurement of the near equivalence of the elliptical v 2 and triangular v 3 flow coefficients in ultracentral 0–1% Pb + Pb collisions at the CERN Large Hadron Collider. Recently a calculation termed magma incorporating gluonic hot spots via two-point correlators in the color glass condensate framework, and no nucleons, provided a simultaneous match to these flow coefficients measured by the ATLAS experiment, including in ultracentral 0–1% collisions. Our calculations reveal that the magma initial conditions do not describe the experimental data when run through full hydrodynamic sonic simulations or when the hot spots from one nucleus resolve hot spots from the other nucleus, as predicted in the color glass condensate framework. Finally, we also explore alternative initial condition calculations and discuss their implications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Hydrodynamic and frictional modulation of deformations in switchable colloidal crystallites

Displacive transformations in colloidal crystals may offer a pathway for increasing the diversity of accessible configurations without the need to engineer particle shape or interaction complexity. To date, binary crystals composed of spherically symmetric particles at specific size ratios have been formed that exhibit floppiness and facile routes for transformation into more rigid structures that are otherwise not accessible by direct nucleation and growth. There is evidence that such transformations, at least at the micrometer scale, are kinetically influenced by concomitant solvent motion that effectively induces hydrodynamic correlations between particles. Here, we study quantitatively the impact of such interactions on the transformation of binary bcc-CsCl analog crystals into close-packed configurations. We first employ principal-component analysis to stratify the explorations of a bcc-CsCl crystallite into orthogonal directions according to displacement. We then compute diffusion coefficients along the different directions using several dynamical models and find that hydrodynamic correlations, depending on their range, can either enhance or dampen collective particle motions. These two distinct effects work synergistically to bias crystallite deformations toward a subset of the available outcomes.

42 ENGINEERING↗
DOE OSTI2021

Interfacial Effects on Transport Coefficient Measurements in Li-ion Battery Electrolytes

Development of Li + -containing electrolytes with improved transport properties requires reliable, reproducible, and ideally low volume techniques to rigorously understand ion-transport with varying composition. Precisely measuring the complete set of transport coefficients in liquid electrolytes under battery-relevant operating conditions is difficult and the reliability of these methods are sparsely described in electrolyte transport literature. In this work, we apply a potentiostatic polarization-based transport characterization approach typically used for polymer electrolytes to liquid electrolyte systems in an attempt to fully measure all transport coefficients (conductivity, total salt diffusion coefficient, thermodynamic factor and transference number) for the model system of LiPF 6 in an ethylene carbonate—ethyl methyl carbonate (EC:EMC) mixture. Using systematic timescale and statistical analyses, we find that transport coefficients measured using potentiostatic polarization of Li-Li symmetric cells exhibit strong correlation to Li electrode interfacial resistance, indicating that such methods are probing both bulk and interfacial phenomena. This reveals a major roadblock in characterizing electrolyte systems where the interfacial resistance is significantly larger than ohmic electrolyte resistance. As a result, we find that methods that rely on potentiostatic Li metal stripping/plating do not readily result in reliable liquid electrolyte transport coefficients, unlike similar methods for solid polymer electrolytes, where interfacial resistances are typically smaller than electrolyte resistances at the elevated temperatures typically of interest for such electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2023

Measurement of the Sensitivity of Two-Particle Correlations in $\mathcal{pp}$ Collisions to the Presence of Hard Scatterings

A key open question in the study of multiparticle production in high-energy pp collisions is the relationship between the “ridge”—i.e., the observed azimuthal correlations between particles in the underlying event that extend over all rapidities—and hard or semihard scattering processes. In particular, it is not known whether jets or their soft fragments are correlated with particles in the underlying event. To address this question, two-particle correlations are measured in pp collisions at $\sqrt{s}$=13 TeV using data collected by the ATLAS experiment at the LHC, with an integrated luminosity of 15.8 pb -1 , in two different configurations. In the first case, charged particles associated with jets are excluded from the correlation analysis, while in the second case, correlations are measured between particles within jets and charged particles from the underlying event. Second-order flow coefficients, v2, are presented as a function of event multiplicity and transverse momentum. These measurements show that excluding particles associated with jets does not affect the measured correlations. Moreover, particles associated with jets do not exhibit any significant azimuthal correlations with the underlying event, ruling out hard processes contributing to the ridge.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Lattice B -field correlators for heavy quarks

We analyze the color-magnetic (or “ B ”) field two-point function that encodes the finite-mass correction to the heavy-quark momentum-diffusion coefficient. The simulations are done on fine isotropic lattices in the quenched approximation at 1.5 T c , using a range of gradient flow times for noise suppression and operator renormalization. The continuum extrapolation is performed at fixed flow time followed by a second extrapolation to zero flow time. Perturbative calculations to next-to-leading order of this correlation function, matching gradient-flowed correlators to MS ¯ , are used to resolve nontrivial renormalization issues. We perform a spectral reconstruction based on perturbative model fits to estimate the coefficient κ B of the finite-mass correction to the heavy-quark momentum-diffusion coefficient. The approach we present here yields high-precision data for the correlator with all renormalization issues incorporated at next-to-leading order and is also applicable for actions with dynamical fermions. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Physics-Informed and Data-Driven Prediction of Residual Stress in Three-Dimensional Machining

Efficient and reliable prediction of machining-induced residual stress (RS) is a key requirement for truly integrated computational materials engineering (ICME). Currently available process modeling approaches, including empirical, analytical, and numerical methodologies lack predictive power and require substantial calibration and validation data. Moreover, most model-based approaches consider only two-dimensional (2D) (i.e., orthogonal), cutting processes. Meanwhile, industrial processes such as milling, turning, and drilling are inherently three-dimensional (3D). The present work attempts to bridge the gap between 2D and 3D through careful consideration of the process physics, including geometric, kinematic, and size-effect constraints to realize robust prediction of how RS develops in 3D machining. Using a novel in-situ experimental technique and digital image correlation (DIC) to determine equivalent Hertzian contact widths, contact pressures, and friction coefficients, the proposed methodology leverages a discretized conversion algorithm that includes multi-pass shakedown effects. This paper presents a semi-analytical model to predict machining-induced RS in 3D turning operations, which are used representatively for 3D processes more generally. Rather than follow a ‘brute force’ 3D FEM approach or conduct countless experiments to train a purely data-driven machine learning algorithm, the proposed approach builds on previous 2D modeling work. Through careful consideration of the process physics, including complex geometry/kinematic considerations of 3D turning, the authors demonstrated an experimentally calibrated approach, as well as validation based on published RS data. Model predictions and previously published measurement data of RS depth profiles for turning of Inconel 718 were compared for a range of process parameters. Correlation between the proposed 3D model and validation data was found to be within the margin of experimental error for most conditions. The proposed model appears to capture the overall behavior of 3D RS depth profiles with acceptable accuracy, particularly the key metrics of near-surface stress, peak stress magnitude and location, as well as overall stress profile depth. This report presents a physics-informed, data-driven approach for efficient calibration of a 2D model for machining-induced RS through DIC analysis of in-situ characterized subsurface displacement fields.

42 ENGINEERING↗
DOE OSTI2020

Molecular dynamics simulations for glass transition temperature predictions of polyhydroxyalkanoate biopolymers

Polyhydroxyalkanoates (PHAs) represent an emerging class of biosynthetic and biodegradable polyesters that exhibit considerable potential to replace petroleum-based plastics towards a sustainable future. Despite the promise, general structure–property mappings within this class of polymers remain largely unexplored. An efficient exploration of this vast chemical space calls for the development and validation of predictive methods for accurate estimation of a diverse range of properties for PHA-based polymers. Towards this aim, we present and validate in this work the results of our molecular dynamics (MD) simulation based approach aimed at predicting glass transition temperatures (T g ) of PHA-based polymers. Since generally available and widely used polymer forcefields exhibit a relatively poor performance for T g predictions, we have developed a new forcefield by modifying the polymer consistent force field (PCFF) via refining a selected set of torsion potentials of the polymer backbone using accurate density functional theory (DFT) computations. After carefully assessing the dependence of critical simulation parameters, such as, polymer chain length, number of polymer chains, supercell size, and thermal quenching rate used in the simulation, the applicability and transferability of the modified PCFF (mPCFF) is demonstrated by directly comparing the computed T g predictions of various polymers with different chemistries, polymer side chain lengths and functional groups forming the polymer side chains against the respective experimentally measured values. Furthermore, the transport properties such as self-diffusion coefficient and viscosity are computationally determined and their well-known correlation with the target properties is demonstrated. Lastly, we have employed the developed approach to predict T g values for a number of yet-to-be-synthesized PHA-based polymers with a diverse set of functional groups in the polymer side chains. The results are further rationalized by correlating the predicted T g values with the inter-chain H-bond formation tendencies of the different side chain functional groups. This work represents an important first step towards computationally guided design of PHA-based functional polymers and opens up new directions for a systematic investigation of composition- and configuration-dependent structure–property relationships in more complex binary and ternary copolymer systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Design of an Additively Manufactured Recuperator With 800 °C Inlet Temperature for sCO2 Power Cycle Application

Abstract Recuperators with design temperatures at and above 800 °C can further increase the thermal efficiency of supercritical CO2 power cycles by enabling higher turbine exhaust temperatures. Mar-M247 is a well-suited nickel-based superalloy for high temperature service due to its high creep strength that prevents excessive material thickness being required for pressure containment. Additive manufacturing using a high-speed laser-directed energy deposition (L-DED) process presents a promising solution, with build trials demonstrating the ability to produce nonconventional flow channels for enhanced heat transfer. A design process is presented that includes aerothermal and mechanical evaluation to maximize performance within the constraints of the manufacturing process. A 2-D heat transfer network and pressure drop code allows prediction of flow distribution and its effect on overall thermal performance. Established literature correlations, along with CFD simulation, inform the prediction of heat transfer coefficients and friction factors for the flowpaths and enhancement features in the heat exchanger core. Mechanical evaluation using finite element analysis (FEA) modeling with the intent of the ASME Boiler & Pressure Vessel Code (BPVC) Section VIII, Div. 2 assesses the operational safety of the design. The detailed design features annular finned passages that take advantage of helical flow paths to distribute the flow from separated headers to shared heat transfer surfaces. Performance predictions for the recuperator at a 50 kW scale provide insights into the feasibility of the additively manufactured (AM) process to produce recuperators on a commercial scale that extend existing operating envelopes.

Engineering↗
DOE OSTI2020

Performance of Photovoltaic Systems Recorded by Open Solar Performance and Reliability Clearinghouse (oSPARC)

This article analyzes data from 2,200 photovoltaic systems collected through the Open Solar Performance and Reliability Clearinghouse (oSPARC, 2018) to draw conclusions about the measured performance of the systems, how it compares to expectations, and how wide the variation is. The systems range in size from 2 kW to 1,200 kW, with an average size of 229 kW, and were activated in oSPARC between March 13, 2007 and Dec. 16, 2016. Data regarding co-incident insolation and ambient temperature are provided through the oSPARC platform for the population of systems and summarized here. Results indicate that - after correcting for measured insolation, derating for temperature, and correcting for balance-of-system efficiency and degradation as a result of system age - the performance ratio of these 2,200 systems averages 91.7%. Adjusting for known parameters such as age and efficiency, the ratio would ideally be 100%. Thus, the 'underperformance' of this system sample is measured at 9.3% and suggests that as much as 9.3% could be recovered if the systems were caused to perform as expected through optimal operation and maintenance. Efforts to correlate the performance ratio with environmental conditions resulted in very low coefficients of regression, but the method already normalizes for actual site insolation and temperature, which are responsible for much of the site-specific variation. An exemption is air-quality nonattainment areas, where the measured performance of plants averages 86.9% and is consistently lower than the average of 95.9% in areas that are in compliance with air quality standards, likely because of particulate matter such as diesel soot exacerbating the soiling rate.

14 SOLAR ENERGY↗
DOE OSTI2022

Adjusting solar-induced fluorescence to nadir-viewing provides a better proxy for GPP

Solar-induced fluorescence (SIF) provides key information for inferring terrestrial gross primary productivity (GPP). However, there is little research on analyzing the performance of nadir-adjusted SIF (SIF nadir ) on GPP, compared to total SIF emitted by all leaves (SIF total ) for reducing the viewing angle effects and estimating GPP. Besides, there have been controversial opinions on whether SIF total is better correlated to GPP than raw SIF observations (SIF obs ). Here we systematically analyzed the relationship between raw/nadir/total SIF (i.e., SIF obs , SIF nadir and SIF total ) and GPP and investigated the underlying mechanism, using multi-angular field measurements and eddy covariance data in wheat and corn crops at sub-daily scale. We further compared the performance of SIF obs , SIF nadir and SIF total in estimating GPP using the TROPOspheric Monitoring Instrument (TROPOMI) SIF and concurrent AmeriFlux measurements at daily scale. Furthermore, the results indicate that diurnal SIF nadir has stronger correlations to GPP than SIF obs for field measurements, with the increase of mean coefficient of determination (R 2 ) by 0.05–0.07 for far-red band and 0.11–0.20 for red band. SIF nadir shows comparable performance with SIF total for both far-red and red bands. Although the viewing angle effects dominate the difference in estimating GPP between SIF nadir and SIF obs , the correlation between light use efficiency (LUE) and fesc further determines the different performance of SIF nadir and SIF total in estimating GPP. TROPOMI-based analysis further confirms that SIF nadir overall has higher correlations to AmeriFlux GPP than SIF obs for different plant functional types and shows similar performance with SIF total . Compared to SIF total , the estimation of SIF nadir independent of viewing angle effects does not require any canopy structure parameters, and thus offers promising potential for reliably estimating regional and global GPP.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Quantum Langevin theory for two coupled phase-conjugated electromagnetic waves

We provide a general macroscopic phenomenological formula of quantum Langevin equations for two coupled phase-conjugated electromagnetic fields with linear loss (gain) and complex nonlinear coupling coefficient. The macroscopic phenomenological formula is obtained from the coupling matrix to preserve the field commutation relations and correlations, which does not require knowing the microscopic details of light-matter interaction and internal atomic structures. To validate this phenomenological formula, we take spontaneous four-wave mixing in a double-Λ four-level atomic system as an example to numerically confirm that our macroscopic phenomenological result is consistent with that obtained from the microscopic Heisenberg-Langevin theory. We find that a complex-valued nonlinear coupling coefficient can lead to noises even without linear gain or loss. Lastly, we apply the quantum Langevin equations to study the effects of linear gain and loss, complex phase mismatching, as well as complex nonlinear coupling coefficient in entangled photon pair (biphoton) generation, particularly to their temporal quantum correlations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Pseudorapidity dependence of anisotropic flow and its decorrelations using long-range multiparticle correlations in Pb–Pb and Xe–Xe collisions

The pseudorapidity dependence of elliptic (v 2 ), triangular (v 3 ), and quadrangular (v 4 ) flow coefficients of charged particles measured in Pb–Pb collisions at a centre-of-mass energy per nucleon pair of $\sqrt{S_{NN}}$ = 5.02 TeV and in Xe–Xe collisions at $\sqrt{S_{NN}}$ = 5.44 TeV with ALICE at the LHC are presented. The measurements are performed in the pseudorapidity range − 3.5 < η < 5 for various centrality intervals using two- and multi-particle cumulants with the subevent method. The flow probability density function (p.d.f.) is studied with the ratio of flow coefficient v 2 calculated with four- and two-particle cumulant, and suggests that the variance of flow p.d.f. is independent of pseudorapidity. The decorrelation of the flow vector in the longitudinal direction is probed using two-particle correlations. The results measured with respect to different reference regions in pseudorapidity exhibit differences, argued to be a result of saturating decorrelation effect above a certain pseudorapidity separation, in contrast to previous publications which assign this observation to non-flow effects. The results are compared to 3 + 1 dimensional hydrodynamic and the AMPT transport model calculations. Neither of the models is able to simultaneously describe the pseudorapidity dependence of measurements of anisotropic flow and its fluctuations. The results presented in this work highlight shortcomings in our current understanding of initial conditions and subsequent system expansion in the longitudinal direction. Therefore, they provide input for its improvement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗