Machine-learning calibration of intense x-ray free-electron-laser pulses using Bayesian optimization
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The chief objective of manufacturing process improvement efforts is to significantly minimize process resources such as time, cost, waste, and consumed energy while improving product quality and process productivity. This paper presents a novel physics-informed optimization approach based on artificial intelligence (AI) to generate digital process twins (DPTs). The utility of the DPT approach is demonstrated in the case of finish machining of aerospace components made from gamma titanium aluminide alloy (γ-TiAl). This particular component has been plagued with persistent quality defects, including surface and sub-surface cracks, which adversely affect resource efficiency. Previous process improvement efforts have been restricted to anecdotal post-mortem investigation and empirical modeling, which fail to address the fundamental issue of how and when cracks occur during cutting. In this work, the integration of in-situ process characterization with modular physics-based models is presented, and machine learning algorithms are used to create a DPT capable of reducing environmental and energy impacts while significantly increasing yield and profitability. Based on the preliminary results presented here, we report an improvement in the overall embodied energy efficiency of over 84%, 93% in process queuing time, 2% in scrap cost, and 93% in queuing cost has been realized for γ-TiAl machining using our novel approach.
Interferometric microscopes are used to measure surface roughness, from which the computed power spectral density function can be used to extract bandwidth-limited values of the various surface properties, such as root-mean-square (rms) height and slope errors. Measurements with a microscope equipped with different objectives that have an overlapping spatial frequency range usually give different rms results over the common frequency bandwidth. This is a result of different instrument transfer functions (ITFs) that attenuate spatial frequencies by different amounts over the overlapping range. We report on the use of binary pseudo-random array (BPRA) standards to characterize the ITF of an interferometric microscope with the various objectives. We use a simple model of a 1D binary Results show that the spectrum for an undersampled array is a cosine function, rather than a straight line, constant white noise spectrum. We have an analytical model of the ITF that includes the effects of an obscured aperture and defocus, in addition to the usual parameters of numerical aperture, wavelength, and sampling period. In addition, the model includes the effect of aliasing of spatial frequency components beyond the Nyquist back into the sub-Nyquist region. We compare the model PSD predictions to the measurements performed with different objectives. Departures of the measured PSDs from the model predictions indicate that there are higher-order ITF corrections yet to be identified and included in the model.
See `README.md` for more information.
See `README.md` for more information.
DayCent MUVP version (Methanogenesis, UV litter degradation and Photosynthesis). DAYCENT is the daily time-step version of the CENTURY biogeochemical model (Parton et al., 1994). DAYCENT simulates fluxes of C and N among the atmosphere, vegetation, and soil (Del Grosso et al., 2001a; Parton et al., 1998). Key submodels include soil water content and temperature by layer, plant production and allocation of net primary production (NPP), decomposition of litter and soil organic matter, mineralization of nutrients, N gas emissions from nitrification and denitrification, and CH4 oxidation in non-saturated soils.
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Knowledge of oxygen diffusion in garnet is crucial for a correct interpretation of oxygen isotope signatures in natural samples. A series of experiments was undertaken to determine the diffusivity of oxygen in garnet, which remains poorly constrained. The first suite included high-pressure (HP), nominally dry experiments performed in piston-cylinder apparatus at: (1) T = 1050–1600 °C and P = 1.5 GPa and (2) T = 1500 °C and P = 2.5 GPa using yttrium aluminum garnet (YAG; Y3Al5O12) cubes. Second, HP H2O-saturated experiments were conducted at T = 900 °C and P = 1.0–1.5 GPa, wherein YAG crystals were packed into a YAG + Corundum powder, along with 18O-enriched H2O. Third, 1 atm experiments with YAG cubes were performed in a gas-mixing furnace at T = 1500–1600 °C under Ar flux. Finally, an experiment at T = 900 °C and P = 1.0 GPa was done using a pyrope cube embedded into pyrope powder and 18O-enriched H2O. Experiments using grossular were not successful. Profiles of 18O/(18O+16O) in the experimental charges were analyzed with three different secondary ion mass spectrometers (SIMS): sensitive high-resolution ion microprobe (SHRIMP II and SI), CAMECA IMS-1280, and NanoSIMS. Considering only the measured length of 18O diffusion profiles, similar results were obtained for YAG and pyrope annealed at 900 °C, suggesting limited effects of chemical composition on oxygen diffusivity. However, in both garnet types, several profiles deviate from the error function geometry, suggesting that the behavior of O in garnet cannot be fully described as simple concentration-independent diffusion, certainly in YAG and likely in natural pyrope as well. The experimental results are better described by invoking O diffusion via two distinct pathways with an inter-site reaction allowing O to move between these pathways. Modeling this process yields two diffusion coefficients (D values) for O, one of which is approximately two orders of magnitude higher than the other. Taken together, Arrhenius relationships are:logDm2s-1=-7.2(±1.3)+(-321(±32)kJmol-12.303RT) for the slow pathway, andlogDm2s-1=-5.4(±0.7)+(-321(±20)kJmol-12.303RT) for the fast pathway. We interpret the two pathways as representing diffusion following vacancy and inter-stitial mechanisms, respectively. Regardless, our new data suggest that the slow mechanism is prevalent in garnet with natural compositions, and thus is likely to control the retentivity of oxygen isotopic signatures in natural samples. The diffusivity of oxygen is similar to Fe-Mn diffusivity in garnet at 1000–1100 °C and Ca diffusivity at 850 °C. However, the activation energy for O diffusion is larger, leading to lower diffusivities at P-T conditions characterizing crustal metamorphism. Therefore, original O isotopic signatures can be retained in garnets showing major element zoning partially re-equilibrated by diffusion, with the uncertainty caveat of extrapolating the experimental data to lower temperature conditions.
Abstract Oxygen fugacity is an important but difficult parameter to constrain for primitive arc magmas. In this study, the partitioning behavior of Fe3+/Fe2+ between amphibole and glass synthesized in piston-cylinder and cold-seal apparatus experiments is developed as an oxybarometer, applicable to magmas ranging from basaltic to dacitic composition. The partitioning of Fe2+ is strongly dependent on melt polymerization; the relative compatibility of Fe2+ in amphibole decreases with increasing polymerization. The Fe2+/Mg distribution coefficient between amphibole and melt is a relatively constant value across all compositions and is, on average, 0.27. The amphibole oxybarometer is applied to amphibole in mafic enclaves, cumulates, and basaltic tephra erupted from Shiveluch volcano in Kamchatka with measured Fe3+/FeTotal. An average Fe3+/Fe2+ amphibole-glass distribution coefficient for basalt is used to convert the Fe3+/FeTotal of amphibole in samples from Shiveluch to magmatic oxygen fugacity relative to NNO. The fO2 of primitive melts at the volcano is approximately NNO+2 and is faithfully recorded in amphibole from an amphibole-rich cumulate and the basaltic tephra. Apparently, higher fO2 recorded by amphibole in mafic enclaves likely results from partial dehydrogenation of amphibole during residence in a shallow andesite storage region. We identify three pulses of mafic magma recharge within two weeks of, a month before, and two to three months before the eruption and find that, at each of these times, the host andesite was recharged by at least two magmas at varying stages of differentiation. Application of the amphibole oxybarometer not only gives insight into magmatic fO2 but also potentially details of shallow magmatic processes.
Paper presented at 16th International Conference on Greenhouse Gas Control Technologies (GHGT-16), October 23–27, 2022, Lyon, France. Brine injectivity tests were conducted on both the Broom Creek (BC) and Deadwood (DW) storage formations in one of the cored stratigraphic test wells prior to finalized simulations. The injectivity tests entailed injection of brine into the formations, followed by shutting in the wells. The shut-in duration represents the fall-off period which was used to carry out pressure transient analyses of the tests. The analysis of injectivity tests indicated that core-indicated and modeled permeability distributions should be conservatively multiplied by 2.5× and 5× in the BC and DW geologic models, respectively, prior to numerical simulations of CO 2 injection using Computer Modelling Group’s (CMG’s) GEM equation-of-state reservoir simulator. The scaler permeability multipliers allowed the fluid flow simulations to fully represent well test-measured injection well rates in the respective formations.
Conference paper presented at 17th International Conference on Greenhouse Gas Control Technologies (GHGT-17), Calgary, Alberta, Canada, October 20–24, 2024. Three-dimensional (3D) mechanical earth models (MEMs) are pivotal in assessing geological sites for carbon dioxide (CO 2 ) storage and mitigating potential risks associated with storage and injection. The Energy & Environmental Research Center is exploring innovative carbon storage monitoring techniques at a CO 2 storage site near Beulah, North Dakota. These methods aim to provide lower-impact, faster feedback for commercial carbon capture and storage (CCS) projects. The research includes monitoring CO 2 injection using various approaches: 1) an automated, integrated modular monitoring station; 2) time-lapse electromagnetic (EM) field surveys; 3) drone-based surveillance; 4) time-lapse seismic techniques; and 5) advanced wellbore monitoring.
The neutron detection efficiency of the MHD-240 scintillation detector was measured at Ohio University Edwards Accelerator Laboratory. Pulsed broad-spectrum sources from the 27 Al(d,n) and 9 Be(d,n) reactions were used to produce the neutrons. The neutron time-of-flight technique was used to make an energy-differential efficiency measurement. The measurements were made in a low rate pulse mode. The pulse height distribution was also recorded, and the data were used to derive a neutron sensitivity that would be applicable in a high rate environment such as a critical assembly where the detector would be expected to operate in a current mode.