Microscale residual stresses in additively manufactured stainless steel
Abstract not provided
Chen, Wen↗
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Residual analysis of the water resonance signal in breast lesions imaged with high spectral and spatial resolution (HiSS) MRI: A pilot study
Purpose: High spectral and spatial resolution magnetic resonance imaging (HiSS MRI) yields information on the local environment of suspicious lesions. Previous work has demonstrated the advantages of HiSS (complete fat-suppression, improved image contrast, no required contrast agent, etc.), leading to initial investigations of water resonance lineshape for the purpose of breast lesion classification. The purpose of this study is to investigate a quantitative imaging biomarker, which characterizes non-Lorentzian components of the water resonance in HiSS MRI datasets, for computer-aided diagnosis (CADx). Methods: The inhomogeneous broadening and non-Lorentzian or “off-peak” components seen in the water resonance of proton spectra of breast HiSS images are analyzed by subtracting a Lorentzian fit from the water peak spectra and evaluating the difference spectrum or “residual.” The maxima of these residuals (referred to hereafter as “off-peak components”) tend to be larger in magnitude in malignant lesions, indicating increased broadening in malignant lesions. The authors considered only those voxels with the highest magnitude off-peak components in each lesion, with the number of selected voxels dependent on lesion size. Our voxel-based method compared the magnitudes and frequencies of off-peak components of all voxels from all lesions in a database that included 15 malignant and 8 benign lesions (yielding ∼3900 voxels) based on the lesions’ biopsy-confirmed diagnosis. Lesion classification was accomplished by comparing the average off-peak component magnitudes and frequencies in malignant and benign lesions. The area under the ROC curve (AUC) was used as a figure of merit for both the voxel-based and lesion-based methods. Results: In the voxel-based task of distinguishing voxels from malignant and benign lesions, off-peak magnitude yielded an AUC of 0.88 (95% confidence interval [0.84, 0.91]). In the lesion-based task of distinguishing malignant and benign lesions, average off-peak magnitude yielded an AUC 0.83 (95% confidence interval [0.61, 0.98]). Conclusions: These promising AUC values suggest that analysis of the water-resonance in each HiSS image voxel using “residual analysis” could have high diagnostic utility and could be used to enhance current CADx methods and allow detection of breast cancer without the need to inject contrast agents.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
DeepDist: real-value inter-residue distance prediction with deep residual convolutional network
Abstract Background Driven by deep learning, inter-residue contact/distance prediction has been significantly improved and substantially enhanced ab initio protein structure prediction. Currently, most of the distance prediction methods classify inter-residue distances into multiple distance intervals instead of directly predicting real-value distances. The output of the former has to be converted into real-value distances to be used in tertiary structure prediction. Results To explore the potentials of predicting real-value inter-residue distances, we develop a multi-task deep learning distance predictor (DeepDist) based on new residual convolutional network architectures to simultaneously predict real-value inter-residue distances and classify them into multiple distance intervals. Tested on 43 CASP13 hard domains, DeepDist achieves comparable performance in real-value distance prediction and multi-class distance prediction. The average mean square error (MSE) of DeepDist’s real-value distance prediction is 0.896 Å 2 when filtering out the predicted distance ≥ 16 Å, which is lower than 1.003 Å 2 of DeepDist’s multi-class distance prediction. When distance predictions are converted into contact predictions at 8 Å threshold (the standard threshold in the field), the precision of top L/5 and L/2 contact predictions of DeepDist’s multi-class distance prediction is 79.3% and 66.1%, respectively, higher than 78.6% and 64.5% of its real-value distance prediction and the best results in the CASP13 experiment. Conclusions DeepDist can predict inter-residue distances well and improve binary contact prediction over the existing state-of-the-art methods. Moreover, the predicted real-value distances can be directly used to reconstruct protein tertiary structures better than multi-class distance predictions due to the lower MSE. Finally, we demonstrate that predicting the real-value distance map and multi-class distance map at the same time performs better than predicting real-value distances alone.
59 BASIC BIOLOGICAL SCIENCES↗
Simultaneous optimization of hatching orientations and lattice density distribution for residual warpage reduction in laser powder bed fusion considering layerwise residual stress stacking
The reduction in the residual warpage generated via fabrication is an emerging issue in metals’ laser powder bed fusion additive manufacturing (AM). One solution from a design for additive manufacturing (DfAM) perspective is to arrange a hatching strategy that utilizes the asymmetry of the residual stress generated from a molten pool. Another approach is to arrange the geometry of the parts, such as forming an inner lattice structure to arrange the effective stiffness. In this study, the simultaneous optimization of the laser hatching orientation and lattice density distribution was conducted to minimize the residual warpage in lattice infill structures and confirm their synergetic effect. The mutual effect of each layer was highlighted when considering the mechanical background of the optimal results because an imbalance in the residual stress caused the warpage of the AM parts between the layers. The proposed methodology was validated via experimental verification using a quasi-2D plate, 3D bracket, and 3D connecting-rod design problems. The residual warpage in the quasi-2D study, measured as the edge’s vertical deformation, was reduced from 23.4% to 39.4% compared with the benchmark design. In the 3D studies, the warpage reductions ranged from 13.1% to 20.7%.
36 MATERIALS SCIENCE↗
Evolution of residual stress, free volume, and hardness in the laser shock peened Ti-based metallic glass
Laser shock peening (LSP) with different cycles was performed on the Ti-based bulk metallic glasses (BMGs). The sub-surface residual stress of the LSPed specimens was measured by high-energy X-ray diffraction (HEXRD) and the near-surface residual stress was measured by scanning electron microscope/focused ion beam (SEM/FIB) instrument. The sub-surface residual stress in the LSP impact direction (about-170MPa) is much lower than that perpendicular to the impact direction (about -350 MPa), exhibiting anisotropy. The depth of the compressive stress zone increases from 400 mu m to 500 mu m with increasing LSP cycles. The highest near-surface residual stress is about -750 MPa. LSP caused the free volume to increase and the maximum increase appeared after the first LSP process. Compared with the hardness (567 +/- 7 HV) of the as-cast BMG, the hardness (590 +/- 9 HV) on the shocked surface shows a hardening effect due to the hardening mechanism of compressive residual stress; and the hardness (420 +/- 9 HV) on the longitudinal section shows a softening effect due to the softening mechanism of free volume.
bulk metallic glasses↗
Enhancing residual trapping of supercritical CO[subscript 2] via cyclic injections
Abstract not provided
Herring, Anna L.↗
Using steam explosion or AFEX™ to produce animal feeds and biofuel feedstocks in a biorefinery based on sugarcane residues: Using Steam Explosion or AFEX™ to Produce Animal Feeds and Biofuel Feedstocks in a Biorefinery Based on Sugarcane Residues
Sustainable integration of biofuel (primarily bioethanol) and highly digestible livestock feed in production systems is a potential way to increase the economic returns to agriculture and simultaneously promote energy security, particularly in developing countries. In this work we evaluated the efficacy of steam explosion (StEx) and ammonia fiber expansion (AFEX™) as potential processes for improving the in vitro rumen digestibility, metabolizable energy, and ethanol yields from sugarcane crop residues (bagasse and cane leaf matter, CLM). Ammonia fiber expansion pretreatment enhanced the in vitro true digestibility and metabolizable energy content of sugarcane crop residues by 69% and 26%, respectively compared to untreated controls. On the other hand, StEx increased the true digestibility and metabolizable energy content of the sugarcane residues by 54% and 7%, respectively. Ammonia fiber expansion also increased the total nitrogen content of both sugarcane bagasse and CLM to more than 20.2 g kg -1 dry forage, a more than 230% improvement relative to untreated controls. High solid-loading enzymatic hydrolysis and fermentation of StEx- and AFEX™-pretreated sugarcane crop residues generated yields of up to 3368 and 4360 L of ethanol per hectare of sugarcane cultivated, respectively, at a biomass-degrading enzyme dosage of 20 mg protein per gram glucan. This research strongly suggests that the use of suitably pretreated sugarcane crop residues in integrated sugarcane biofuel-livestock production systems can increase the total per hectare agricultural output without increasing the area of sugarcane cultivated. In effect, this integrated approach promotes more sustainable biofuel production and increased food production while avoiding the potential for indirect land use change.
09 BIOMASS FUELS↗
High energy X-ray diffraction measurement of residual stresses in a monolithic aluminum clad uranium–10 wt% molybdenum fuel plate assembly
Residual stresses are expected in monolithic, aluminum clad uranium 10 wt% molybdenum (U–10Mo) nuclear fuel plates because of the large mismatch in thermal expansion between the two bonded materials. The full residual stress tensor of the U–10Mo foil in a fuel plate assembly was mapped with 0.1 mm resolution using high-energy (86 keV) X-ray diffraction. The in-plane stresses in the U–10Mo foil are strongly compressive, roughly -250 MPa in the longitudinal direction and -140 MPa in the transverse direction near the center of the fuel foil. The normal component of the stress is weakly compressive near the center of the foil and tensile near the corner. The disparity in the residual stress between the two in-plane directions far from the edges and the tensile normal stress suggest that plastic deformation in the aluminum cladding during fabrication by hot isostatic pressing also contributes to the residual stress field. A tensile in-plane residual stress is presumed to be present in the aluminum cladding to balance the large in-plane compressive stresses in the U–10Mo fuel foil, but cannot be directly measured with the current technique due to large grain size.
99 GENERAL AND MISCELLANEOUS↗
Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi -Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes
The sesquiterpene cyclase epi-isozizaene synthase (EIZS) catalyzes the cyclization of farnesyl diphosphate to form the tricyclic hydrocarbon precursor of the antibiotic albaflavenone. The hydrophobic active site pocket of EIZS serves as a template as it binds and chaperones the flexible substrate and carbocation intermediates through the conformations required for a multistep reaction sequence. We previously demonstrated that the substitution of hydrophobic residues with other hydrophobic residues remolds the template and expands product chemodiversity. Here, we show that the substitution of hydrophobic residues—specifically, Y69, F95, F96, and W203—with polar side chains also yields functional enzyme catalysts that expand product chemodiversity. Fourteen new EIZS mutants are reported that generate product arrays in which eight new sesquiterpene products have been identified. Of note, some mutants generate acyclic and cyclic hydroxylated products, suggesting that the introduction of polarity in the hydrophobic pocket facilitates the binding of water capable of quenching carbocation intermediates. Furthermore, the substitution of polar residues for F96 yields high-fidelity sesquisabinene synthases. Crystal structures of selected mutants reveal that residues defining the three-dimensional contour of the hydrophobic pocket can be substituted without triggering significant structural changes elsewhere in the active site. Finally, more radical nonpolar–polar amino acid substitutions should be considered when terpenoid cyclase active sites are remolded by mutagenesis with the goal of exploring and expanding product chemodiversity.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Perennialization and Cover Cropping Mitigate Soil Carbon Loss from Residue Harvesting
While the US Midwest is expected to serve as a primary feedstock source for cellulosic biofuel production, the impacts of residue harvesting on soil organic carbon (SOC) may greatly limit sustainable production capacity. However, viable feedstock production could be realized through adoption of management practices and cropping systems that offset residue‐harvest‐induced SOC losses. Sequestration of SOC can be enhanced by increasing the duration of crop soil cover through cover or double cropping or cultivation of dedicated perennials. However, assessing the efficacy of such options across sites and over long periods is experimentally challenging. Hence, we use the Environmental Productivity Integrated Climate (EPIC) model to provide such an assessment. Model‐data integration was used to calibrate and evaluate model suitability, which exhibited reasonable effectiveness through R 2 of 0.97 and 0.63 for SOC stock and yield, respectively. Long‐term simulations indicate considerable capacity for offsetting SOC loss. Incorporating rye ( Secale cereal L.) into continuous corn ( Zea mays L.) and corn–soybean [ Glycine max (L.) Merr.] systems offset the SOC losses induced by harvesting 21.2 and 38.3% of available stover, respectively. Similarly, converting 20.4% of corn–soybean land to miscanthus ( Miscanthus × giganteus J.M. Greef & Deuter ex Hodkinson & Renvoize) or 27.5% of land to switchgrass ( Panicum virgatum L.) offset the SOC impacts of harvesting 60% of stover from the remaining corn–soybean lands. These responses indicate that adoption of such measures would sizably affect the life cycle consequences of residue‐derived biofuels and expand estimates of sustainable cellulosic feedstock production capacity from the US Midwest. Core Ideas EPIC suitably assessed SOC under annual, cover, double, and perennial crops. Perennial cultivation offset the SOC losses of considerable residue harvesting. Rye double crops offset sizable residue‐induced SOC losses. Adoption could greatly expand Midwestern sustainable biofuel production capacity.
Jones, Curtis D.↗
Recalcitrance Assessment of the Agro-industrial Residues from Five Agave Species: Ionic Liquid Pretreatment, Saccharification and Structural Characterization
Agave has recently shown its potential as a bioenergy feedstock with promising features such as higher biomass productivity than leading bioenergy feedstock while at the same time being drought-resistant with low water requirements and high sugar to ethanol conversion using ionic liquid (IL) pretreatment. Here, IL pretreatment was studied to develop the first direct side-by-side comparative recalcitrance assessment of the agro-industrial residues from five Agave species [ Agave americana (AME), A. angustifolia (ANG), A. fourcroydes (FOU), A. salmiana (SAL), and A. tequilana (TEQ)] using compositional analysis, X-ray diffraction, and the lignin syringyl/guaiacyl subunit ratio (S/G) by pyrolysis molecular beam mass spectrometry (PyMBMS). Prominent calcium oxalate peaks were found only in unpretreated AME, SAL, and TEQ. The S/G ratios of all five unpretreated Agave species were between 1.27 and 1.57 while the IL-pretreated samples were from 1.39 to 1.72. The highest overall sugar production was obtained with IL-pretreated FOU with 492 mg glucose/g biomass and 157 mg xylose/g biomass at 120°C and 3 h using 1-ethyl-3-methylimidazolium acetate ([C 2 C 1 Im][OAc]). An estimated theoretical ethanol yield from the studied agro-industrial residues from the five Agave species was in the range of 1060 to 5800 L ethanol/ha/year. These comparison results demonstrate the potential of the Agave spp. as a suitable biofuel feedstock which can be employed within a biorefinery scheme.
09 BIOMASS FUELS↗
Pilot plant reliability metrics for grinding and fast pyrolysis of woody residues
Here we report on the effects of loblolly pine residue variability on material throughput, pilot plant uptime, operator intervention, product yield, and product quality for grinding, fast pyrolysis, and hydrotreating operations. Preprocessing throughput using a hammer mill varied between 31-48% of nameplate capacity (5 tons/hr). Grinder overloads in the size reduction step were more prevalent for lower ash and higher moisture materials. Fast pyrolysis throughput varied between 57-72% of nameplate capacity (20 kg/hr) and bio-oil yields varied between 46-53% (feedstock carbon to oil, dry basis). During fast pyrolysis operations, downtime was caused by bridging in the feed and char removal systems and plugging in the condensation system. Cohesion of feedstock and char leading to system plugging was less frequent for higher ash feedstocks, and differences in condenser plugging behavior between high and low ash feedstocks were observed. The catalyst stability of the bio-oil stabilization step was strongly dependent on the sulfur content in the bio-oil, which was higher for the high-ash residue oils. Lower moisture content in the starting biomass was consistent with lower sulfur content in bio-oil. Yields and properties of hydrotreated fuel products showed minimal deference among the bio-oils.
Klinger, Jordan↗
Dependence of the residual surface resistance of superconducting radio frequency cavities on the cooling dynamics around T{sub c}
We report a strong effect of the cooling dynamics through T{sub c} on the amount of trapped external magnetic flux in superconducting niobium cavities. The effect is similar for fine grain and single crystal niobium and all surface treatments including electropolishing with and without 120 °C baking and nitrogen doping. Direct magnetic field measurements on the cavity walls show that the effect stems from changes in the flux trapping efficiency: slow cooling leads to almost complete flux trapping and higher residual resistance, while fast cooling leads to the much more efficient flux expulsion and lower residual resistance.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Flexibility of active-site gorge aromatic residues and non-gorge aromatic residues in acetylcholinesterase
The presence of an unusually large number of aromatic residues in the active site gorge of acetylcholinesterase has been a topic of great interest. Flexibility of these residues has been suspected to be a key player in controlling ligand traversal in the gorge. This raises the question of whether the over representation of aromatic residues in the gorge implies higher than normal flexibility of those residues. The current study suggests that it does not. Large changes in the hydrophobic cross sectional area due to dihedral oscillations are probably the reason behind their presence in the gorge.
Ghattyvenkatakrishna, Pavan K↗
Economic analysis of forest residues supply chain options to produce enhanced-quality feedstocks
Not provided.
Biotechnology & Applied Microbiology↗
Measurement of Residual Stress in Silicon Carbide Fibers of Tubular Composites Using Raman Spectroscopy
Not provided.
Materials Science↗