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At least 1,783 records · Page 99

Towards the synthesis of modular process intensification systems with safety and operability considerations - application to heat exchanger network

In this paper, we present a systematic framework for the synthesis of safely operable process intensification systems. Herein, intensified designs are automatically generated by using phenomena-based Generalized Modular Representation Framework, while their safety and operability performances are guaranteed by incorporating: (i) flexibility analysis and multiperiod design, (ii) inherent safety analysis utilizing quantitative risk assessment, and (iii) multi-parametric model predictive control strategies developed via the PAROC framework. As an example from a broader set of intensified systems, the proposed framework is applied to heat exchanger network synthesis for thermal intensification, demonstrating its capability on enhancing safety and operability at early design stage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Summary of Pilot Project State Technical Assistance on Multi-Sector Analysis for Electric and Petroleum Fuels

The Oregon Energy Security Plan, (ODOE 2024) published in September 2024, builds a strong case for the state to give acute attention to the fuel supply chain. In December 2024, Pacific Northwest National Laboratory (PNNL) in partnership with Oregon Department of Energy (ODOE), announced a pilot project to conduct an analysis that synthesizes current and projected transportation fuel dynamics, supply chain risks, and risk comparators with relevant sectors, such as transportation electrification, sponsored by the Department of Energy’s (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER). The study, is intended to leverage existing modeling and frameworks from a recent 2024 sector coupling analysis supported by the DOEs Office of Electricity (OE) (B. Mitra, S. Pal, et al., Coupling of the Electricity and Transportation Sectors - Part I: Sector Overviews 2024) (B. Mitra, S. Pal and J. Reeve, et al. 2024). While the PNNL team set out to conduct a quantitative risk analysis driven by detailed data that synthesizes current and projected transportation fuel dynamics, supply chain risks, and risk comparators with relevant sectors. The intention was to provide an approach that could be extendable to other parts of the country. They encountered data limitations and adjusted their approach accordingly. This report summarizes PNNL's original plan for executing the study, including limitations for obtaining data requirements for fuel flows and interim products, as well as a risk matrix that can be used to identify supply chain risks.

02 PETROLEUM↗

A continuation of base-line studies for environmentally monitoring space transportation systems at John F. Kennedy Space Center. Executive summary

Studies conducted in and around John F. Kennedy Space Center, Merrit Island, Florida were designed to establish baseline conditions for various attributes of the biotic and abiotic environment. Features were described and quantitatively measured. Certain condition were found to be appropriate for the detection and assessment of possible environmental perturbations caused by future NASA activities. These include plant communities, mammal populations, rainfall chemistry, fish populations, and the status of rare and endangered species. On the basis of statistical analysis of quantitative data and logistic considerations, it was possible to refine the kinds and amounts of measurements needed to evaluate perturbations in selected environmental components.

Stout, I. J.↗

High Spatial Resolution Mapping of Retained Fission Gas

Fission gas isotopic analysis provides quantitative high precision determination of irradiated nuclear fuel burnup, offers diagnostic value, and informs fuel performance models. A measurement capability has been developed at Idaho National Laboratory (INL) for the release of retained fission gas using a focused laser and static noble gas mass spectrometry (MS) analysis. This high resolution (10s microns spot size) capability was demonstrated using Xe implanted metal foils.

07 - ISOTOPES AND RADIATION SOURCES↗

A Brief Review of Past INL Work Assessing Radionuclide Content in TMI-2 Melted Fuel Debris: The Use of 144 Ce as a Surrogate for Pu Accountancy

This report serves as a literature review of prior work performed at Idaho National Laboratory, and its predecessor organizations Idaho National Engineering Laboratory (INEL) and Idaho National Engineering and Environmental Laboratory (INEEL), studying radionuclide partitioning within the melted fuel debris of the reactor of the Three Mile Island 2 (TMI-2) nuclear power plant. The purpose of this review is to document prior published work that provides supporting evidence of the utility of using 144 Ce as a surrogate for plutonium within melted fuel debris. When the TMI-2 accident occurred no quantitative nondestructive analysis (NDA) techniques existed that could assay plutonium in the unconventional wastes from the reactor. However, unpublished work performed at INL by D. W. Akers in the late 1980s through the 1990s demonstrated that passive gamma-ray spectrometry of 144 Ce could potentially be used to develop a semi-quantitative correlation for estimating plutonium content in these materials. The fate and transport of radioisotopes in fuel from different regions of the core, including uranium, fission products, and actinides, appear to be well characterized based on the maximum temperature reached by fuel in different parts of the core and the melting point, boiling point, and volatility of those radioisotopes. Also, the chemical interactions between fuel, fuel cladding, control elements, and core structural components appears to have played a large role in determining when and how fuel relocation occurred in the core; perhaps the most important of these reaction appears to be related to the formation of mixed-material alloys, eutectics, in the fuel cladding. Because of its high melting point, low volatility, and similar chemical behavior to plutonium, the element cerium appears to have behaved similarly to plutonium during the evolution of the TMI-2 accident. Anecdotal evidence extrapolated from open-source literature strengthens this logical feasibility for using cerium, which is rather easy to analyze using passive nondestructive analysis gamma-ray spectrometry, as a surrogate for plutonium in the final analysis of TMI-2 melted fuel debris. The generation of this report is motivated by the need to perform nuclear material accountancy measurements on the melted fuel debris that will be excavated from the damaged nuclear reactors at the Fukushima Daiichi nuclear power plant in Japan, which were destroyed by the Tohoku earthquake and tsunami on March 11, 2011. Lessons may be taken from prior U.S. work related to the study of the TMI-2 core debris to support the development of new assay methods for use at Fukushima Daiichi. While significant differences exist between the two reactor systems (pressurized water reactor (TMI-2) versus boiling water reactor (FD), fresh water post-accident cooing (TMI-2) versus salt water (FD), maintained containment (TMI-2) versus loss of containment (FD)) there remain sufficient similarities to motivate these comparisons.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Polarization effects associated with thermal processing of HY-80 structural steel using high-power laser diode array

Localized heating of roughened steel surfaces using disperse laser light emitted from high power laser diode arrays was experimentally demonstrated and compared with theoretical predictions. The Fresnel equations were used to analyze the optical absorptivity in terms of the angle of incidence and polarization state to understand the laser-induced temperature rise of HY-80 steel plates under 383-612 W laser irradiation. Laser-induced, transient temperature distributions were directly measured using bulk thermocouple probes and thermal imaging. Finite element analysis yielded quantitative assessment of energy deposition and heat transport in HY-80 steel using absorptivity as a tuning parameter. The extracted absorptivity values ranged from 0.62 to 0.75 for S-polarized and 0.63 to 0.85 for P-polarized light, in agreement with partially oxidized iron surfaces. Microstructural analysis using electron backscatter diffraction revealed a heat affected zone for the highest temperature conditions (612 W, P-polarized) as evidence of rapid quenching and an austenite to martensite transformation. In conclusion, the efficient use of diode arrays for laser-assisted advanced manufacturing technologies such as hybrid friction stir welding is discussed.

36 MATERIALS SCIENCE↗

Spectral Analysis Of Linear, Shift-Invariant Interpolants

Method of analysis provides quantitative measure of reconstruction and interpolation performances of linear, shift-invariant interpolants. Criterion of performance based upon mean-square error of difference between sampled and reconstructed functions. Applicable to reconstruction algorithms used in processing of signals and images and to types of interpolants used in numerical analysis, computer-aided design, and computer graphics.

Lansing, Donald L.↗

Holistic Small-Signal Stability Analysis for Large-Scale Inverter-Intensive Power Systems with Coupled and Full-Order Dynamics from Control Systems and Power Networks

The increasing penetration of inverter-based resources (IBRs) into the existing power systems introduces tremendous benefits for enhanced sustainability but also poses inevitable challenges in terms of insufficient inertia, potential instability, and complex network dynamics, among others. However, the additional coupling introduced by the interactions among gridfollowing (GFL) and grid-forming (GFM) IBRs and the other components (i.e., synchronous generators [SGs], loads, and network, etc.) has not been clearly explored. A holistic, scalable, and quantitative stability analysis framework with the control systems and power networks is still missing. Here, in this paper, to fill in the technical gaps, a holistic small-signal model of the entire system with both rotating generation units and IBRs is established. An extended power flow model with operation dynamics from both generator control schemes and power networks is proposed to provide the varying steady-state operating points for small-signal modeling. The proposed method is compared with MATLAB solvers, and the results show that the proposed approach has a minimum calculation time, which can be less than 12 seconds for a large-scale power system with up to 2,000 buses. Furthermore, a quantitative method is developed to identify the impacts of IBRs on system performance with emphases on the potential stability issues with GFL IBRs, additional benefits of employing GFM IBRs, the feasibility of replacing SGs with GFM IBRs, and the impact of penetration level of different kinds of generation units. Finally, a field island power system is used to verify the proposed approach, and hardware-in-the-loop (HIL) tests are provided to further demonstrate the effectiveness of the proposed analysis.

14 SOLAR ENERGY↗

X-ray studies of dynamic aging in an aluminum alloy subjected to severe plastic deformation

In this work, X-ray scattering methods were applied for a quantitative characterization of the microstructure of an aluminum alloy of the Al–Mg–Si system during dynamic aging realized through the high pressure torsion technique. A qualitative and quantitative phase analysis of the alloy was performed, together with Al alloy lattice parameter determination. From the reflections broadening the effective size of the coherent scattering domains and the lattice microstrain were determined in the framework of the Halder–Wagner approach. Using the method of small-angle X-ray scattering, the quantitative characteristics of the size, shape and spatial distribution of the secondary phase particles formed in the Al alloy during dynamic aging were established. In order to validate the obtained results, the method of small-angle X-ray scattering was preliminarily tested on similar samples after artificial aging and compared with the results from small-angle neutron diffraction widely known in literature. - Highlights: • Spherical fcc β-Mg2Si precipitates formed in Al 6201 alloy during dynamic aging in the course of severe plastic deformation. • The size, shape and distribution of the precipitates due to artificial and dynamic aging were revealed by SAXS method. • Monoclinic needle-like β' precipitates and Al5FeSi intermetallic phase were detected in 6201 alloy after T6 treatment.

36 MATERIALS SCIENCE↗

Influence of volume magnetostriction on the thermodynamic properties of Ni-Mn-Ga shape memory alloys

In the present article, the thermodynamic properties of Ni-Mn-Ga ferromagnetic shape memory alloys exhibiting the martensitic transformations (MTs) above and below Curie temperature are compared. It is shown that when MT goes below Curie temperature, the elastic and thermal properties of alloy noticeably depend on magnetization value due to spontaneous volume magnetostriction. However, the separation of magnetic parts from the basic characteristics of MT is a difficult task, because the volume magnetostriction does not qualitatively change the transformational behaviour of alloy. This problem is solved for several Ni-Mn-Ga alloys by means of the quantitative theoretical analysis of experimental data obtained in the course of stress-strain tests. For each alloy, the entropy change and the transformation heat evolved in the course of MT are evaluated, first, from the results of stress-strain tests and, second, from differential scanning calorimetry data. For all alloys, a quantitative agreement between the values obtained in two different ways is observed. It is shown that the magnetic part of transformation heat exceeds the non-magnetic one for the Ni-Mn-Ga alloys undergoing MTs in ferromagnetic state, while the elevated values of transformation heat measured for the alloys undergoing MTs in paramagnetic state are caused by large MT strains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Analysis of the Patterns of Radiation-Induced DNA Damage Foci by a Stochastic Monte Carlo Model of DNA Double Strand Breaks Induction by Heavy Ions and Image Segmentation Software

To create a generalized mechanistic model of DNA damage in human cells that will generate analytical and image data corresponding to experimentally observed DNA damage foci and will help to improve the experimental foci yields by simulating spatial foci patterns and resolving problems with quantitative image analysis. Material and Methods: The analysis of patterns of RIFs (radiation-induced foci) produced by low- and high-LET (linear energy transfer) radiation was conducted by using a Monte Carlo model that combines the heavy ion track structure with characteristics of the human genome on the level of chromosomes. The foci patterns were also simulated in the maximum projection plane for flat nuclei. Some data analysis was done with the help of image segmentation software that identifies individual classes of RIFs and colocolized RIFs, which is of importance to some experimental assays that assign DNA damage a dual phosphorescent signal. Results: The model predicts the spatial and genomic distributions of DNA DSBs (double strand breaks) and associated RIFs in a human cell nucleus for a particular dose of either low- or high-LET radiation. We used the model to do analyses for different irradiation scenarios. In the beam-parallel-to-the-disk-of-a-flattened-nucleus scenario we found that the foci appeared to be merged due to their high density, while, in the perpendicular-beam scenario, the foci appeared as one bright spot per hit. The statistics and spatial distribution of regions of densely arranged foci, termed DNA foci chains, were predicted numerically using this model. Another analysis was done to evaluate the number of ion hits per nucleus, which were visible from streaks of closely located foci. In another analysis, our image segmentaiton software determined foci yields directly from images with single-class or colocolized foci. Conclusions: We showed that DSB clustering needs to be taken into account to determine the true DNA damage foci yield, which helps to determine the DSB yield. Using the model analysis, a researcher can refine the DSB yield per nucleus per particle. We showed that purely geometric artifacts, present in the experimental images, can be analytically resolved with the model, and that the quantization of track hits and DSB yields can be provided to the experimentalists who use enumeration of radiation-induced foci in immunofluorescence experiments using proteins that detect DNA damage. An automated image segmentaiton software can prove useful in a faster and more precise object counting for colocolized foci images.

Ponomarev, Artem↗

Estimating the Temperature Experienced by Biomass Particles during Fast Pyrolysis Using Microscopic Analysis of Biochars

Here, biomass particles can experience variable thermal conditions during fast pyrolysis due to differences in their size and morphology, and from local temperature variations within a reactor. These differences lead to increased heterogeneity of the chemical products obtained in the pyrolysis vapors and bio-oil. Here we present a simple, high-throughput method to investigate the thermal history experienced by large ensembles of particles during fast pyrolysis by imaging and quantitative image analysis. We present a correlation between the surface luminance (darkness) of the biochar particle and the highest temperature that it experienced during pyrolysis. Next, we apply this correlation to large, heterogeneous ensembles of char particles produced in a laminar entrained flow reactor (LEFR). The results are used to interpret the actual temperature distributions delivered by the reactor over a range of operating conditions.

09 BIOMASS FUELS↗

Long-wavelength Magnetic and Gravity Anomaly Correlations of Africa and Europe

Preliminary MAGSAT scalar magnetic anomaly data were compiled for comparison with long-wavelength-pass filtered free-air gravity anomalies and regional heat-flow and tectonic data. To facilitate the correlation analysis at satellite elevations over a spherical-Earth, equivalent point source inversion was used to differentially reduce the magnetic satellite anomalies to the radial pole at 350 km elevation, and to upward continue the first radial derivative of the free-air gravity anomalies. Correlation patterns between these regional geopotential anomaly fields are quantitatively established by moving window linear regression based on Poisson's theorem. Prominent correlations include direct correspondences for the Baltic Shield, where both anomalies are negative, and the central Mediterranean and Zaire Basin where both anomalies are positive. Inverse relationships are generally common over the Precambrian Shield in northwest Africa, the Basins and Shields in southern Africa, and the Alpine Orogenic Belt. Inverse correlations also presist over the North Sea Rifts, the Benue Rift, and more generally over the East African Rifts. The results of this quantitative correlation analysis support the general inverse relationships of gravity and magnetic anomalies observed for North American continental terrain which may be broadly related to magnetic crustal thickness variations.

Vonfrese, R. R. B.↗

Long-wavelength magnetic and gravity anomaly correlations on Africa and Europe

Preliminary MAGSAT scalar magnetic anomaly data were compiled for comparison with long-wavelength-pass filtered free-air gravity anomalies and regional heat-flow and tectonic data. To facilitate the correlation analysis at satellite elevations over a spherical-Earth, equivalent point source inversion was used to differentially reduce the magnetic satellite anomalies to the radial pole at 350 km elevation, and to upward continue the first radial derivative of the free-air gravity anomalies. Correlation patterns between these regional geopotential anomaly fields are quantitatively established by moving window linear regression based on Poisson's theorem. Prominent correlations include direct correspondences for the Baltic shield, where both anomalies are negative, and the central Mediterranean and Zaire Basin where both anomalies are positive. Inverse relationships are generally common over the Precambrian Shield in northwest Africa, the Basins and Shields in southern Africa, and the Alpine Orogenic Belt. Inverse correlations also presist over the North Sea Rifts, the Benue Rift, and more generally over the East African Rifts. The results of this quantitative correlation analysis support the general inverse relationships of gravity and magnetic anomalies observed for North American continental terrain which may be broadly related to magnetic crustal thickness variations.

Vonfrese, R. R. B.↗

Two-Dimensional Nonlinear Finite Element Analysis of CMC Microstructures

A research program has been developed to quantify the effects of the microstructure of a woven ceramic matrix composite and its variability on the effective properties and response of the material. In order to characterize and quantify the variations in the microstructure of a five harness satin weave, chemical vapor infiltrated (CVI) SiC/SiC composite material, specimens were serially sectioned and polished to capture images that detailed the fiber tows, matrix, and porosity. Open source quantitative image analysis tools were then used to isolate the constituents, from which two dimensional finite element models were generated which approximated the actual specimen section geometry. A simplified elastic-plastic model, wherein all stress above yield is redistributed to lower stress regions, is used to approximate the progressive damage behavior for each of the composite constituents. Finite element analyses under in-plane tensile loading were performed to examine how the variability in the local microstructure affected the macroscopic stress-strain response of the material as well as the local initiation and progression of damage. The macroscopic stress-strain response appeared to be minimally affected by the variation in local microstructure, but the locations where damage initiated and propagated appeared to be linked to specific aspects of the local microstructure.

Mital, Subodh K.↗

A novel cold-regulated gene from Phlox subulata, PsCor413im1, enhances low temperature tolerance in Arabidopsis

Highlights: • PsCor413im1 expression was induced by cold and ABA. • PsCor413im1 is a chloroplast membrane protein. • Overexpression of PsCor413im1 improves chilling and freezing tolerance in Arabidopsis. Low temperature stress adversely affects plant growth, development, and crop productivity. Analysis of the function of genes in the response of plants to low temperature stress is essential for understanding the mechanism of chilling and freezing tolerance. In this study, PsCor413im1, a novel cold-regulated gene isolated from Phlox subulata, was transferred to Arabidopsis to investigate its function under low temperature stress. Real-time quantitative PCR analysis revealed that PsCor413im1 expression was induced by cold and abscisic acid. Subcellular localization revealed that PsCor413im1-GFP fusion protein was localized to the periphery of the chloroplast, consistent with the localization of chloroplast inner membrane protein AtCor413im1, indicating that PsCor413im1 is a chloroplast membrane protein. Furthermore, the N-terminal of PsCor413im1 was determined to be necessary for its localization. Compared to the wild-type plants, transgenic plants showed higher germination and survival rates under cold and freezing stress. Moreover, the expression of AtCor15 in transgenic plants was higher than that in the wild-type plants under cold stress. Taken together, our results suggest that the overexpression of PsCor413im1 enhances low temperature tolerance in Arabidopsis.

60 APPLIED LIFE SCIENCES↗

Materials Characterization Techniques Lecture Series: X-Ray Diffraction, A Summary of LANL's Materials Capabilities in MPA-11 [Slides]

This presentation provides an overview on X-Ray Diffraction (XRD) to cover background, fundamentals, limitations, best practices, applications, analysis, software, and resources. To summarize: XRD is a great tool for characterizing solid crystalline samples. X-Rays are E-Mag radiation and generate diffraction profiles based on the phase of the sample. Diffraction patterns are unique to the phase of the sample. Powder diffraction gives us better diffraction profiles. We can obtain both qualitative and quantitative data. Analysis requires us to know a little about our sample and a lot about our diffractometer.

36 MATERIALS SCIENCE↗

Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples

Psilocybin {systematic name: 3-[2-(dimethylamino)ethyl]-1 H -indol-4-yl dihydrogen phosphate} is a zwitterionic tryptamine natural product found in numerous species of fungi known for their psychoactive properties. Following its structural elucidation and chemical synthesis in 1959, purified synthetic psilocybin has been evaluated in clinical trials and has shown promise in the treatment of various mental health disorders. In a recent process-scale crystallization investigation, three crystalline forms of psilocybin were repeatedly observed: Hydrate A, Polymorph A, and Polymorph B. The crystal structure for Hydrate A was solved previously by single-crystal X-ray diffraction. This article presents new crystal structure solutions for the two anhydrates, Polymorphs A and B, based on Rietveld refinement using laboratory and synchrotron X-ray diffraction data, and density functional theory (DFT) calculations. Utilizing the three solved structures, an investigation was conducted via Rietveld method (RM) based quantitative phase analysis (QPA) to estimate the contribution of the three different forms in powder X-ray diffraction (PXRD) patterns provided by different sources of bulk psilocybin produced between 1963 and 2021. Over the last 57 years, each of these samples quantitatively reflect one or more of the hydrate and anhydrate polymorphs. In addition to quantitatively evaluating the composition of each sample, this article evaluates correlations between the crystal forms present, corresponding process methods, sample age, and storage conditions. Furthermore, revision is recommended on characterizations in recently granted patents that include descriptions of crystalline psilocybin inappropriately reported as a single-phase `isostructural variant.' Rietveld refinement demonstrated that the claimed material was composed of approximately 81% Polymorph A and 19% Polymorph B, both of which have been identified in historical samples. In this article, we show conclusively that all published data can be explained in terms of three well-defined forms of psilocybin and that no additional forms are needed to explain the diffraction patterns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗