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At least 199 records · Page 11

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DOE OSTI2025

Measurement of partial vapor pressures of salt mixtures via combined horizontal transpiration and thermogravimetric analysis

A method combining thermogravimetric analysis (TGA) and horizontal transpiration with elemental analysis via inductively coupled plasma mass spectrometry or ion chromatography enabled calculation of partial pressures of individual salts in molten mixtures. TGA quantified total mass loss, while transpiration identified vapor-phase composition. Furthermore, two chloride (NaCl-MgCl 2 , NaCl-MgCl 2 + UCl 3 ) salts and one mixed halide (LiCl-LiF + Li 2 O) salt were analyzed at 750 °C and 550 °C, respectively. NaCl and MgCl 2 vapor pressures were 2.19–2.61 × 10 -4 atm and 2.47–2.48 × 10 -5 atm (dependent upon the identity of the invesitgated mixture); UCl 3 was 1.42 × 10 -7 atm. LiCl and LiF vapor pressures at 550 °C were 1.53 × 10 -6 and 6.32 × 10 -6 atm, respectively. Additionally, the TGA method was validated against values from the literature for unary LiCl and LiF.

36 MATERIALS SCIENCE↗

DOE OSTI2020

An Experimental Method to Measure Gaseous Diffusivity in Tight and Partially Saturated Porous Media via Continuously Monitored Mass Spectrometry

Detection of radioxenon and radioargon produced by underground nuclear explosions is one of the primary methods by which the Comprehensive Nuclear-Test–Ban Treaty (CTBT) monitors for nuclear activities. However, transport of these noble gases to the surface via barometric pumping is a complex process relying on advective and diffusive processes in a fractured porous medium to bring detectable levels to the surface. To better understand this process, experimental measurements of noble gas and chemical surrogate diffusivity in relevant lithologies are necessary. However, measurement of noble gas diffusivity in tight or partially saturated porous media is challenging due to the transparent nature of noble gases, the lengthy diffusion times, and difficulty maintaining consistent water saturation. Here, the quasi-steady-state Ney–Armistead method is modified to accommodate continuous gas sampling via effusive flow to a mass spectrometer. An analytical solution accounting for the cumulative sampling losses and induced advective flow is then derived. Experimental results appear in good agreement with the proposed theory, suggesting the presence of retained groundwater reduces the effective diffusivity of the gas tracers by 10–1000 times. Finally, by using a mass spectrometer, the method described herein is applicable to a broad range of gas species and porous media.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Monitoring installation of partially occluded subassemblies in modular construction factories using BIM, ray tracing, and computer vision

Modular and offsite construction methods are being increasingly adopted due to the advantages they offer in terms of project completion time, quality, and energy-efficiency. Despite these advantages, the current state of monitoring systems in modular construction factories highly relies on labor-intensive, subjective, and error-prone observational methods. A large body of research has aimed to automate the monitoring process using an array of sensors, such as IMUs and RFIDs, during the past two decades. Recently, computer vision-based methods have gained increasing interest as a non-intrusive technology to monitor the process inside modular construction factories. However, partial occlusion challenges have impeded their practical application on a large scale. This challenge is specifically important for monitoring the installation of subassemblies since they can obstruct the view of the monitoring camera, especially those that enable long-term monitoring like closed-circuit television (CCTV) fixed-view surveillance cameras. Here, this paper aims to address this challenge by proposing a novel computer vision-based method to monitor the installation of new subassemblies inside modular factories in highly occluded scenes. The proposed methodology identifies the subassemblies in the CCTV video footage using computer vision, analyzes the occlusions using BIM and ray casting techniques, and estimates the progress of assembly by comparing the BIM model with the detected subassemblies in the video. The proposed methodology was successfully validated on surveillance videos captured from a volumetric modular construction factory in the U.S., achieving 93% accuracy in identifying the installation of subassemblies. The results from this research show that the integration of BIM and computer vision is a promising method for monitoring the installation processes inside modular factories under severe occlusion.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Hall–Petch strengthening limit through partially active segregation in nanocrystalline Ag-Cu alloys

The breakdown from grain-size strengthening to softening mechanisms is generally well understood for high-purity nanocrystalline materials when the mean grain size decreases to the nanometer range. In nanocrystalline alloys, however, the stabilization of nanosized grains by grain-boundary solute segregation complicates the above mechanisms. Moreover, current segregation models have little predictive power for determining the optimal solute content that maximizes Hall-Petch strengthening effects. In this article, using large-scale hybrid Monte-Carlo/molecular dynamic simulations, we present a systematic study of the Hall–Petch breakdown in Cu-segregated Ag alloys with grain sizes ranging from 8 nm to 59 nm, where three concentration-dependent regimes of plasticity are described: (1) Classical segregation strengthening behavior at low solute contents, (2) shear band-induced softening at high solute contents, and (3) a previously unknown, but extended plateau of maximum strengths for intermediate solute contents from 4 to 15 at.%, which we term as nanocrystalline Sterling silver. We find that flow strengths in nanocrystalline Sterling alloys naturally exhibit a zero-slope limit at the smallest grain sizes that is well below the ideal Hall–Petch strengthening trend. This phenomenon results from partially active grain-boundary segregation that acts to influence interfacial plasticity in some, but not all, grain boundary regions. Our findings amplify the atomic nature of solute segregation and interaction at grain boundaries and its complex roles on grain boundary-mediated plasticity mechanisms in nanocrystalline alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2022

On multidomain multiscale modeling and simulation of a novel partial pressure and temperature swing adsorptive reactor ($\mathrm{PPTSAR}$) with application to the water gas shift reaction

Here in this work, a dynamic, multidomain, multiscale model of a novel Partial Pressure and Temperature Swing Adsorptive Reactor (PPTSAR) Process is developed and simulated for a Water Gas Shift Reaction (WGSR) application. The proposed model couples the reactor wall, catalyst/adsorbent pellet, and fluid mixture domains at their respective scales to comprehensively model mass, momentum, and energy transport phenomena occurring within each domain. The resulting model elucidates the PPTSAR’s start-up, transient, and long-term, periodic, dynamic behavior, during both adsorption/reaction and desorption operating modes. In the WGSR application considered, the use of two PPTSARs is shown to allow continuous operation that delivers CO conversion greater than 95% with simultaneous complete CO 2 capture.

42 ENGINEERING↗

DOE OSTI2021

Hygro-thermo-mechanical modeling of partially saturated air-entrained concrete containing dissolved salt and exposed to freeze-thaw cycles

Highlights: • A model for cyclic freezing of air-entrained concrete containing salt is proposed. • The freeze-thaw hysteresis, also including the effect of dissolved salt, is modeled. • The diffusive and convective flux of salt is coupled to the freeze-thaw processes. • The freeze-thaw response of air-entrained concrete containing salt is reproduced. • Liquid absorption from reservoirs increases with an increased concentration of salt. In cold regions, understanding the freeze-thaw behavior of air-entrained concrete is important for designing durable structures and assessing the remaining service life of existing structures. This study presents a hygro-thermo-mechanical multiphase model that describes the cyclic freeze-thaw behavior of partially saturated air-entrained concrete containing dissolved salt. An equilibrium and a non-equilibrium approach are adopted to model the ice formation, including the freeze-thaw hysteresis, inside the porous network. The model also considers the diffusive and convective transport of the dissolved salt coupled to the freeze-thaw processes. Two examples are presented to verify and highlight the capabilities of the model. The first example shows that the model is capable of reproducing the experimentally observed mechanical response of specimens containing NaC1-solutions of different concentrations. In the second example, a larger absorption of liquid from an external reservoir is obtained with an increasing salt concentration in the reservoir, which is consistent with experimental observations.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Evaluation of dual-weighted residual and machine learning error estimation for projection-based reduced-order models of steady partial differential equations

Projection-based reduced-order models (pROMs) show great promise as a means to accelerate many-query applications such as forward error propagation, solving inverse problems, and design optimization. In order to deploy pROMs in the context of high-consequence decision making, accurate error estimates are required to determine the region(s) of applicability in the parameter space. The following paper considers the dual-weighted residual (DWR) error estimate for pROMs and compares it to another promising pROM error estimate, machine learned error models (MLEM). Here, we show how DWR can be applied to ROMs and then evaluate DWR on two partial differential equations (PDEs): a two-dimensional linear convection–reaction–diffusion equation, and a three-dimensional static hyper-elastic beam. It is shown that DWR is able to estimate errors for pROMs extrapolating outside of their training set while MLEM is best suited for pROMs used to interpolate within the pROM training set.

42 ENGINEERING↗

DOE OSTI2024

Bayesian reduced-order deep learning surrogate model for dynamic systems described by partial differential equations

We propose a reduced-order deep-learning surrogate model for dynamic systems described by time-dependent partial differential equations. This method employs space–time Karhunen–Loève expansions (KLEs) of the state variables and space-dependent KLEs of space-varying parameters to identify the reduced (latent) dimensions. Subsequently, a deep neural network (DNN) is used to map the parameter latent space to the state variable latent space. An approximate Bayesian method is developed for uncertainty quantification (UQ) in the proposed KL-DNN surrogate model. The KL-DNN method is tested for the linear advection–diffusion and nonlinear diffusion equations, and the Bayesian approach for UQ is compared with the deep ensembling (DE) approach, commonly used for quantifying uncertainty in DNN models. It was found that the approximate Bayesian method provides a more informative distribution of the PDE solutions in terms of the coverage of the reference PDE solutions (the percentage of nodes where the reference solution is within the confidence interval predicted by the UQ methods) and log predictive probability. The DE method is found to underestimate uncertainty and introduce bias. For the nonlinear diffusion equation, we compare the KL-DNN method with the Fourier Neural Operator (FNO) method and find that KL-DNN is 10% more accurate and needs less training time than the FNO method.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

CO2 partial pressure and fluxes in the Amazon River Plume using in situ and remote sensing data

Estimations of the global carbon budget include a quantitative understanding of the evolving processes that occur along river-to-ocean gradients. However, high spatiotemporal resolution observations of these processes are limited. Here we present in situ measurements of the partial pressure of CO2 (pCO2) made through the Amazon River plume (ARP) during different discharge seasons, from 2010-2012. We evaluated the spatiotemporal distribution of pCO2 using Soil Moisture and Ocean Salinity (SMOS) satellite observations for each hydrologic period in the ARP. Regression models were used to estimate pCO2 at the ARP for the period of 2010-2014. From these distributions we calculated sea-air gas exchange of CO2 between the plume waters and the atmosphere (F_co2^sea). Intra-annual variability of F_co2^sea was related to discharge at the river mouth and ocean currents as well as trade winds in the plume. Climatic events during the study period had a significant impact on the F_co2^sea. Including the plume area closer to the river mouth makes the ARP a net source of CO2 with an annual net sea-air flux of 8.6 ±7.1 Tg C y-1 from 2011-2014.

Amazon↗

DOE OSTI2019

Single-fuel reactivity controlled compression ignition through catalytic partial oxidation reformation of diesel fuel

A single-fuel RCCI concept has been proposed to avoid the need for a secondary fuel system required for conventional RCCI by generating the secondary fuel from the primary fuel through catalytic partial oxidation (CPOX) reformation. In conventional RCCI, gasoline or natural gas can be used as the low-reactivity fuel, and diesel can be used as the high-reactivity fuel. In this study, two reformate mixtures generated by reforming diesel fuel at different operating conditions were used as the low-reactivity fuel, with the parent diesel as the high reactivity fuel. The combustion characteristics of reformate-diesel RCCI were compared with the conventional RCCI. A CFD model was also developed and validated against the experimental results. The model was then used to validate a necessary approximation of the reformate mixture's species concentrations. Compared to conventional RCCI fuel pairs, reformate-diesel RCCI shows marginally better thermal efficiency, approximately 10% better THC emissions, approximately 50% lower NOx emissions, and good controllability. Because the reformate mixture has a high concentration of diluents it displaces a large fraction of intake air and acts similarly to EGR. The combustion behavior of reformate-diesel RCCI is in between that of gasoline-diesel and natural gas-diesel conventional RCCI. From the results, it can be concluded that reformate-diesel RCCI is not overly sensitive to the reformation process itself and the exact species concentrations in the reformate mixture. Finally, a small change in the start of injection of diesel, blend ratio, and EGR fraction can be used to compensate for reformate mixture concentration differences.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Proton Accelerated Partial Breast Irradiation: Clinical Outcomes at a Planned Interim Analysis of a Prospective Phase 2 Trial

To perform a planned interim analysis of acute (within 12 months) and late (after 12 months) toxicities and cosmetic outcomes after proton accelerated partial breast irradiation (APBI).