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DOE OSTI2017

The Spectroscopy and H-band Imaging of Virgo Cluster Galaxies (SHIVir) Survey: Scaling Relations and the Stellar-to-total Mass Relation

We present parameter distributions and fundamental scaling relations for 190 Virgo cluster galaxies in the SHIVir survey. The distribution of galaxy velocities is bimodal about V {sub circ} ∼ 125 km s{sup −1}, hinting at the existence of dynamically unstable modes in the inner regions of galaxies. An analysis of the Tully-Fisher relation (TFR) of late-type galaxies (LTGs) and the fundamental plane (FP) of early-type galaxies (ETGs) is presented, yielding a compendium of galaxy scaling relations. The slope and zero-point of the Virgo TFR match those of field galaxies, while scatter differences likely reflect distinct evolutionary histories. The velocities minimizing scatter for the TFR and FP are measured at large apertures where the baryonic fraction becomes subdominant. While TFR residuals remain independent of any galaxy parameters, FP residuals (i.e., the FP “tilt”) correlate strongly with the dynamical-to-stellar mass ratio, yielding stringent galaxy formation constraints. We construct a stellar-to-total mass relation (STMR) for ETGs and LTGs and find linear but distinct trends over the range M {sub *} = 10{sup 8–11} M {sub ⊙}. Stellar-to-halo mass relations (SHMRs), which probe the extended dark matter halo, can be scaled down to masses estimated within the optical radius, showing a tight match with the Virgo STMR at low masses; possibly inadequate halo abundance matching prescriptions and broad radial scalings complicate this comparison at all masses. While ETGs appear to be more compact than LTGs of the same stellar mass in projected space, their mass-size relations in physical space are identical. The trends reported here may soon be validated through well-resolved numerical simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

MID-INFRARED ATOMIC FINE-STRUCTURE EMISSION-LINE SPECTRA OF LUMINOUS INFRARED GALAXIES: SPITZER/IRS SPECTRA OF THE GOALS SAMPLE

We present the data and our analysis of mid-infrared atomic fine-structure emission lines detected in Spitzer/Infrared Spectrograph high-resolution spectra of 202 local Luminous Infrared Galaxies (LIRGs) observed as part of the Great Observatories All-sky LIRG Survey (GOALS). We readily detect emission lines of [S IV], [Ne II], [Ne V], [Ne III], [S III]{sub 18.7{sub μm}}, [O IV], [Fe II], [S III]{sub 33.5{sub μm}}, and [Si II]. More than 75% of these galaxies are classified as starburst-dominated sources in the mid-infrared, based on the [Ne V]/[Ne II] line flux ratios and equivalent width of the 6.2 μm polycyclic aromatic hydrocarbon feature. We compare ratios of the emission-line fluxes to those predicted from stellar photo-ionization and shock-ionization models to constrain the physical and chemical properties of the gas in the starburst LIRG nuclei. Comparing the [S IV]/[Ne II] and [Ne III]/[Ne II] line ratios to the Starburst99-Mappings III models with an instantaneous burst history, the emission-line ratios suggest that the nuclear starbursts in our LIRGs have ages of 1-4.5 Myr, metallicities of 1-2 Z{sub ☉}, and ionization parameters of 2-8 × 10{sup 7} cm s{sup –1}. Based on the [S III]{sub 33.5{sub μm}}/[S III]{sub 18.7{sub μm}} ratios, the electron density in LIRG nuclei is typically one to a few hundred cm{sup –3}, with a median electron density of ∼300 cm{sup –3}, for those sources above the low density limit for these lines. We also find that strong shocks are likely present in 10 starburst-dominated sources of our sample. A significant fraction of the GOALS sources (80) have resolved neon emission-line profiles (FWHM ≥600 km s{sup –1}) and five show clear differences in the velocities of the [Ne III] or [Ne V] emission lines, relative to [Ne II], of more than 200 km s{sup –1}. Furthermore, six starburst and five active galactic nucleus dominated LIRGs show a clear trend of increasing line width with ionization potential, suggesting the possibility of a compact energy source and stratified interstellar medium in their nuclei. We confirm a strong correlation between the sum of the [Ne II]{sub 12.8{sub μm}} and [Ne III]{sub 15.5{sub μm}} emission, as well as [S III]{sub 33.5{sub μm}}, with both the infrared luminosity and the 24 μm warm dust emission measured from the spectra, consistent with all three lines tracing ongoing star formation. Finally, we find no correlation between the hardness of the radiation field or the emission-line width and the ratio of the total infrared to 8 μm emission (IR8), a measure of the strength of the starburst and the distance of the LIRGs from the star-forming main sequence. This may be a function of the fact that the infrared luminosity and the mid-infrared fine-structure lines are sensitive to different timescales over the starburst, or that IR8 is more sensitive to the geometry of the region emitting the warm dust than the radiation field producing the H II region emission.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

SU-C-12A-05: Radiation Dose in High-Pitch Pediatric Cardiac CTA: Correlation Between Lung Dose and CTDIvol, DLP, and Size Specific Dose Estimates (SSDE)

Purpose: To investigate the radiation dose for pediatric high pitch cardiac CTA Methods: A total of 14 cases were included in this study, with mean age of 6.2 years (ranges from 2 months to 15 years). Cardiac CTA was performed using a dual-source CT system (Definition Flash, Siemens). Tube voltage (70, 80 and 100kV) was chosen based on patient weight. All patients were scanned using a high-pitch spiral mode (pitch ranges from 2.5 to 3) with tube current modulation technique (CareDose4D, Siemens). For each case, the three dimensional dose distributions were calculated using a Monte Carlo software package (IMPACT-MC, CT Image GmbH). Scanning parameters of each exam, including tube voltage, tube current, beamshaping filters, beam collimation, were defined in the Monte Carlo calculation. Tube current profile along projection angles was obtained from projection data of each tube, which included data within the over-scanning range along z direction. The volume of lungs was segmented out with CT images (3DSlicer). Lung doses of all patients were calculated and compared with CTDIvol, DLP, and SSDE. Results: The average (range) of CTDIvol, DLP and SSDE of all patients was 1.19 mGy (0.58 to 3.12mGy), 31.54 mGy*cm (12.56 to 99 mGy*cm), 2.26 mGy (1.19 to 6.24 mGy), respectively. Radiation dose to the lungs ranged from 0.83 to 4.18 mGy. Lung doses correlated with CTDIvol, DLP and SSDE with correlation coefficients(k) at 0.98, 0.93, and 0.99. However, for the cases with CTDIvol less than 1mGy, only SSDE preserved a strong correlation with lung doses (k=0.83), while much weaker correlations were found for CTDIvol (k=0.29) and DLP (k=-0.47). Conclusion: Lung doses to pediatric patients during Cardiac CTA were estimated. SSDE showed the most robust correlation with lung doses in contrast to CTDIvol and DLP.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg 1/2 Ti 1/2 O 3 -(1$-$x)PbTiO 3

Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reported properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novel and bespoke materials.

36 MATERIALS SCIENCE↗

NASA NTRS1995

Temporal variation of meandering intensity and domain-wide lateral oscillations of the Gulf Stream

The path of the Gulf Stream exhibits two modes of variability: wavelike spatial meanders associated with instability processes and large-sale lateral shifts of the path presumably due to atmospheric forcing. The objectives of this study are to examine the temporal variation of the intensity of spatial meandering in the stream, to characterize large-scale lateral oscillations in the stream's path, and to study the correlation betwen these two dynamically distinct modes of variability. The data used for this analysis are path displacemets ofthe Gulf Stream between 75 deg and 60 deg W obtained from AVHRR-derived (Advanced Very High Resolution Radiometer) infrared images for the period April 1982 through December 1989. Meandering intensity, measured by the spatial root-mean-sqaure displacement of the stream path, displays a 9-month dominant periodicity which is persistent through the study period. The 9-month fluctuation in meandering intensity may be related to the interaction of Rosseby waves with the stream. Interannual variation of meandering intensity is also found to be significant, with meandering being mich more intense during 1985 than it was in 1987. Annual variation, however,is weak and not well-defined.The spatially averaged position of the stream, which reflects nonmeandering large-scale lateral oscillations of the stream path, is dominated by an annual cycle. On average, the mean position is farthest north in November and farthest south in April. The first empirical orthogonal function mode of the space-time path displacements represents lateral oscillatins that are in-phase over the space-time domain. Interannual oscillations are also observed and are found to be weaker than the annual oscillation. The eigenvalue of the first mode indicates that about 21.5% of the total space-time variability of the stream path can be attibuted to domain-wide lateral oscillation. The correlation between meandering intensity and domain-wide lateral oscillations is very weak.

Lee, Tong↗

NASA NTRS1998

Comparison of the X-Ray and Radio Light Curves of Quasar PKS 1510--089

We present results for the X-ray-bright superluminal AGN PKS 1510-089 (z=0.36) monitored weekly with the Rossi X-Ray Timing Explorer for the past four years in order to study the origin of X-ray emission from this extremely variable blazer. These RXTE data are compared with weekly cm-band flux and polarization observations from the Michigan Diameter telescope, to identify correlated activity and associated frequency-dependent time delays for constraining X-ray emission models; and bimonthly 7mm VLBA total and linearly polarized intensity imaging to identify temporal associations between X-ray events and the ejection of superluminal components and disturbances in the magnetic field, to test if the X-ray energy release is related to changes in the inner jet flow. Both the X-ray (2-20 keV) and radio flux are highly variable on timescales of weeks. The VLBA mas structure is dominated by a bright core with a weak jet; both the ejection of very fast superluminal knots and changes in the fractional polarization and EVPA of the core on timescales of one to four months are identified. Two outbursts in 1997 are well-resolved in both the centimeter and X-ray bands. Both the strong temporal association and the similar outburst shape support a causal relation, and a discrete cross-correlation analysis identifies that the X-ray lags the radio by 16 days during the bursts. Starting in 1998 the behavior changes: the correlation is weaker with the X-ray possibly leading the radio by six days. During the full time window there is a correlation between bands as expected if the radio photons are upscattered to X-ray energies. The time correlations and difference between the flat X-ray spectral index (0.0 <= alpha <= 0.5 where F(sub v) is proportional to v(exp -alpha)), and the mm-wave synchrotron spectrum (alpha = 0.8) are discussed within the framework of viable SSC models.

Aller, M. F.↗

DOE OSTI2017

A diagnostic microdosing approach to investigate platinum sensitivity in non-small cell lung cancer

The platinum-based drugs cisplatin, carboplatin and oxaliplatin are often used for chemotherapy, but drug resistance is common. The prediction of resistance to these drugs via genomics is a challenging problem since hundreds of genes are involved. A possible alternative is to use mass spectrometry to determine the propensity for cells to form drug-DNA adducts—the pharmacodynamic drug-target complex for this class of drugs. In this paper, the feasibility of predictive diagnostic microdosing was assessed in non-small cell lung cancer (NSCLC) cell culture and a pilot clinical trial. Accelerator mass spectrometry (AMS) was used to quantify [ 14 C]carboplatin-DNA monoadduct levels in the cell lines induced by microdoses and therapeutic doses of carboplatin, followed by correlation with carboplatin IC 50 values for each cell line. The adduct levels in cell culture experiments were linearly proportional to dose (R 2 = 0.95, p < 0.0001) and correlated with IC 50 across all cell lines for microdose and therapeutically relevant carboplatin concentrations (p = 0.02 and p = 0.01, respectively). A pilot microdosing clinical trial was conducted to define protocols and gather preliminary data. Plasma pharmacokinetics (PK) and [ 14 C]carboplatin-DNA adducts in white blood cells and tumor tissues from six NSCLC patients were quantified via AMS. The blood plasma half-life of [ 14 C]carboplatin administered as a microdose was consistent with the known PK of therapeutic dosing. The optimal [ 14 C]carboplatin formulation for the microdose was 10 7 dpm/kg of body weight and 1% of the therapeutic dose for the total mass of carboplatin. No microdose-associated toxicity was observed in the patients. Finally, additional accruals are required to significantly correlate adduct levels with response.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Charged-particle angular correlations in XeXe collisions at s N N = 5.44 TeV

Azimuthal correlations of charged particles in xenon-xenon collisions at a center-of-mass energy per nucleon pair of $\sqrt{s_{NN}}=5.44$ TeV are studied. The data were collected by the CMS experiment at the LHC with a total integrated luminosity of 3.42μb -1 . The collective motion of the system formed in the collision is parametrized by a Fourier expansion of the azimuthal particle density distribution. The azimuthal anisotropy coefficients $v_2$, $v_3$, and $v_4$ are obtained by the scalar-product, two-particle correlation, and multiparticle correlation methods. Within a hydrodynamic picture, these methods have different sensitivities to noncollective and fluctuation effects. The dependence of the Fourier coefficients on the size of the colliding system is explored by comparing the xenon-xenon results with equivalent lead-lead data. Model calculations that include initial-state fluctuation effects are also compared to the experimental results. The observed angular correlations provide new constraints on the hydrodynamic description of heavy ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

SU-F-J-95: Impact of Shape Complexity On the Accuracy of Gradient-Based PET Volume Delineation

Purpose: Explore correlation of tumor complexity shape with PET target volume accuracy when delineated with gradient-based segmentation tool. Methods: A total of 24 clinically realistic digital PET Monte Carlo (MC) phantoms of NSCLC were used in the study. The phantom simulated 29 thoracic lesions (lung primary and mediastinal lymph nodes) of varying size, shape, location, and {sup 18}F-FDG activity. A program was developed to calculate a curvature vector along the outline and the standard deviation of this vector was used as a metric to quantify a shape’s “complexity score”. This complexity score was calculated for standard geometric shapes and MC-generated target volumes in PET phantom images. All lesions were contoured using a commercially available gradient-based segmentation tool and the differences in volume from the MC-generated volumes were calculated as the measure of the accuracy of segmentation. Results: The average absolute percent difference in volumes between the MC-volumes and gradient-based volumes was 11% (0.4%–48.4%). The complexity score showed strong correlation with standard geometric shapes. However, no relationship was found between the complexity score and the accuracy of segmentation by gradient-based tool on MC simulated tumors (R{sup 2} = 0.156). When the lesions were grouped into primary lung lesions and mediastinal/mediastinal adjacent lesions, the average absolute percent difference in volumes were 6% and 29%, respectively. The former group is more isolated and the latter is more surround by tissues with relatively high SUV background. Conclusion: The complexity shape of NSCLC lesions has little effect on the accuracy of the gradient-based segmentation method and thus is not a good predictor of uncertainty in target volume delineation. Location of lesion within a relatively high SUV background may play a more significant role in the accuracy of gradient-based segmentation.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1973

Multispectral signatures in relation to ground control signatures using nested sampling approach

The author has identified the following signficant results. An experiment was conducted to evaluate the feasibility of using ERTS-1 MSS imagery for spot transmission measurements on selected sites. Using the 15-unit gray scale on the 70 mm positive imagery as the base of comparison, a correlation was made between the transmittance measured at each site on the imagery and the radiance values (counts) recorded on CCT tape by the spacecraft over the same sites. The imagery was enlarged by a 750-watt projector and focused on a white cardboard screen 6 meters from the screen. Observations were made on 30 sub-sites which were pre-selected for their differing image brightness and total area; all are dried pond beds. Observations were also made on average gray backgrounds and a small lake. There was a very good correlation between the density values obtained from projected imagery and radiance values received by the detector on the spacecraft. A shorter experiment time and closer integration of gray scale and site readings would avoid the variation in lamp intensities that occurred.

Lyon, R. J. P.↗

DOE OSTI2018

Magnifying the ATLAS stealth stop splinter: impact of spin correlations and finite widths

In this paper, we recast a “stealth stop” search in the notoriously difficult region of the stop-neutralino Simplified Model parameter space for which m($\tilde{t}$ 1 )-m($\tilde{X}$~$0\atop{1}$)≃m t . The properties of the final state are nearly identical for tops and stops, while the rate for stop pair production is O(10%) of that for $t\overline{t}$. Stop searches away from this stealth region have left behind a “splinter” of open parameter space when m($\overline{t}$ 1 )≃m t . Removing this splinter requires surgical precision: the ATLAS constraint on stop pair production reinterpreted here treats the signal as a contaminant to the measurement of the top pair production cross section using data from s√=7 TeV and 8 TeV in a correlated way to control for some systematic errors. ATLAS fixed m($\tilde{t}$ 1 )≃mtandm($\tilde{X}$~$0\atop{1}$)=1 GeV, implying that a careful recasting of these results into the full m($\tilde{t}$ 1 )-m($\tilde{X}$~$0\atop{1}$) plane is warranted. We find that the parameter space with m($\tilde{X}$~$0\atop{1}$)≲55 GeV is excluded for m($\tilde{t}$ 1 )≃m t — although this search does cover new parameter space, it is unable to fully pull the splinter. Along the way, we review a variety of interesting physical issues in detail: (i) when the two-body width is a good approximation; (ii) how assuming the narrow width approximation affects the total rate; (iii ) how the production rate is affected when the wrong widths are used; (iv ) what role propagating the spin correlations consistently through the multi-body decay chain plays in the limits. In addition, we provide a guide to using MadGraph for implementing the full production including finite width and spin correlation effects, and we survey a variety of pitfalls one might encounter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Linking crop traits to transcriptome differences in a progeny population of tetraploid potato

Background: Potato is the third most consumed crop in the world. Breeding for traits such as yield, product quality and pathogen resistance are main priorities. Identifying molecular signatures of these and other important traits is important in future breeding efforts. In this study, a progeny population from a cross between a breeding line, SW93–1015, and a cultivar, Désirée, was studied by trait analysis and RNA-seq in order to develop understanding of segregating traits at the molecular level and identify transcripts with expressional correlation to these traits. Transcript markers with predictive value for field performance applicable under controlled environments would be of great value for plant breeding.Results: A total of 34 progeny lines from SW93–1015 and Désirée were phenotyped for 17 different traits in a field in Nordic climate conditions and controlled climate settings. A master transcriptome was constructed with all 34 progeny lines and the parents through a de novo assembly of RNA-seq reads. Gene expression data obtained in a controlled environment from the 34 lines was correlated to traits by different similarity indices, including Pearson and Spearman, as well as DUO, which calculates the co-occurrence between high and low values for gene expression and trait. Our study linked transcripts to traits such as yield, growth rate, high laying tubers, late and tuber blight, tuber greening and early flowering. We found several transcripts associated to late blight resistance and transcripts encoding receptors were associated to Dickeya solani susceptibility. Transcript levels of a UBX-domain protein was negatively associated to yield and a GLABRA2 expression modulator was negatively associated to growth rate.Conclusion: In our study, we identify 100’s of transcripts, putatively linked based on expression with 17 traits of potato, representing both well-known and novel associations. This approach can be used to link the transcriptome to traits. We explore the possibility of associating the level of transcript expression from controlled, optimal environments to traits in a progeny population with different methods introducing the application of DUO for the first time on transcriptome data. We verify the expression pattern for five of the putative transcript markers in another progeny population.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Eshelby twist and correlation effects in diffraction from nanocrystals

Molecular dynamics simulations were used to model the Eshelby dislocation inside Pd and Ir nanowires and to predict the powder diffraction pattern using the Debye scattering equation. We find that the ideal dislocation solution by Eshelby is in good agreement with the observed twist angle and deviatoric strain, even though it ignores both the splitting of the Eshelby dislocation into two partials and surface stress. Surface stress plays a significant role only for nanorods with small aspect ratio (∼1:1). We also find that Wilson's prediction on the diffraction peak broadening for the Eshelby dislocation is overestimated because it ignores the fact that the Eshelby twist relaxes the deviatoric strain. Moreover, the twist loosens the correlation along the nanorod, causing additional line profile broadening, which is read by diffraction as a decrease of coherent domain size when the total twist angle is bigger than 1.5°. Overall, our findings suggest a novel way to predict and analyze the dislocations as well as the resulting strain fields in the twisted nanocrystalline rods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Prediction of liver remnant regeneration after living donor liver transplantation using preoperative CT texture analysis

Purpose: To predict the rate of liver regeneration after living donor liver transplantation (LDLT) using pre-operative computed tomography (CT) texture analysis. Materials and methods: 112 living donors who performed right hepatectomy for LDLT were included retrospectively. We measured the volume of future remnant liver (FLR) on pre-operative CT and the volume of remnant liver (LR) on follow-up CT, taken at a median of 123 days after transplantation. The regeneration index (RI) was calculated using the following equation: [(V{sub LR}−V{sub FLR})/V{sub FLR}] × 100. Computerized texture analysis of the semi-automatically segmented FLR was performed. We used a stepwise, multivariable linear regression to assess associations of clinical features and texture parameters in relation to RI and to make the best-fit predictive model. Results: The mean RI was 110.7 ± 37.8%, highly variable ranging from 22.4% to 247.0%. Among texture parameters, volume of FLR, standard deviation, variance, and gray level co-occurrence matrices (GLCM) contrast were found to have significant correlations between RI. In multivariable analysis, smaller volume of FLR (ß − 0.17, 95% CI − 0.22 to − 0.13) and lower GLCM contrast (ß − 1.87, 95% CI − 3.64 to − 0.10) were associated with higher RI. The regression equation predicting RI was following: RI = 203.82 + 10.42 × pre-operative serum total bilirubin (mg/dL) − 0.17 × V{sub FLR} (cm{sup 3}) − 1.87 × GLCM contrast (× 100). Conclusion: Volume of FLR and GLCM contrast were independent predictors of RI, showing significant negative correlations. Pre-operative CT with texture analysis can be useful for predicting the rate of liver regeneration in living donor of liver transplantation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NASA NTRS1981

In situ spectral reflectance studies of tidal wetland grasses

Field measurements of wetland spectral canopy reflectance in the Landsat-MSS wavebands were correlated with biotic factors. The highest single band correlations were observed between visible (MSS Band 4: 0.5 to 0.6 micron and Band 5: 0.6 to 0.7 micron) canopy reflectance and the percentage, by weight, of live (green) vegetation in the canopies of Spartina alterniflora (salt marsh cordgrass), Spartina patens (salt meadow grass), and Distichlis spicata (spike grass). Infrared canopy reflectance displayed significant but weaker dependence on canopy parameters such as live and total biomass and canopy height. The Band 7 (0.8 to 1.1 microns)/Band 5 (0.6 to 0.7 micron) reflectance ratio was found to be highly correlated with green biomass for S. alterniflora. Highest spectral separability between the 'low marsh' S. alterniflora and the 'high marsh' Salt Hay (S. patens and D. spicata) communities in Delaware occurs during December.

Bartlett, D. S.↗

DOE OSTI2015

Scaling nitrogen and carbon interactions: what are the consequences of biological buffering?

Abstract Understanding the consequences of elevated CO 2 ( eCO 2 ; 800 ppm) on terrestrial ecosystems is a central theme in global change biology, but relatively little is known about how altered plant C and N metabolism influences higher levels of biological organization. Here, we investigate the consequences of C and N interactions by genetically modifying the N‐assimilation pathway in A rabidopsis and initiating growth chamber and mesocosm competition studies at current CO 2 ( cCO 2 ; 400 ppm) and eCO 2 over multiple generations. Using a suite of ecological, physiological, and molecular genomic tools, we show that a single‐gene mutant of a key enzyme ( nia2 ) elicited a highly orchestrated buffering response starting with a fivefold increase in the expression of a gene paralog ( nia1 ) and a 63% increase in the expression of gene network module enriched for N‐assimilation genes. The genetic perturbation reduced amino acids, protein, and TCA ‐cycle intermediate concentrations in the nia2 mutant compared to the wild‐type, while eCO 2 mainly increased carbohydrate concentrations. The mutant had reduced net photosynthetic rates due to a 27% decrease in carboxylation capacity and an 18% decrease in electron transport rates. The expression of these buffering mechanisms resulted in a penalty that negatively correlated with fitness and population dynamics yet showed only minor alterations in our estimates of population function, including total per unit area biomass, ground cover, and leaf area index. This study provides insight into the consequences of buffering mechanisms that occur post‐genetic perturbations in the N pathway and the associated outcomes these buffering systems have on plant populations relative to eCO 2 .

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Friction Hydro-Pillar Processing of a High Carbon Steel: Joint Structure and Properties

A coupled experimental and theoretical study is reported here on friction hydro-pillar processing of AISI 4140 steel, which is a novel solid-state joining technique to repair and fill crack holes in thick-walled components by an external stud. The stud is rotated and forced to fill a crack hole by plastic flow. During the process, frictional heating occurs along the interface of the stud and the wall of crack hole leading to thermal softening of the stud that eases its plastic deformation. The effect of the stud force, its rotational speed and the total processing time on the rate of heat generation and resulting transient temperature field is therefore examined to correlate the processing variables with the joint structure and properties in a systematic and quantitative manner, which is currently scarce in the published literature. The results show that a gentler stud force rate and greater processing time can promote proper filling of the crack hole and facilitate a defect-free joint between the stud and original component.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Electronic and magnetic properties of Zn{sub 1−x}Fe{sub x}Se alloys

The spin polarized density functional theory along with self consistent plane wave pseudopotential method is used to investigate electronic and magnetic properties of ternary Zn{sub 1−x}Fe{sub x}Se alloys with x = 0.125, 0.25, 0.5 and 0.75. The exchange-correlation potential treated within generalized gradient approximation is used. The calculated spin-polarized band structures, partial and total density of states reveal that Zn{sub 0.875}Fe{sub 0.125}Se and Zn{sub 0.75}Fe{sub 0.25}Se exhibit half metallic ferromagnetic characteristics and Zn{sub 0.50}Fe{sub 0.50}Se is nearly half metallic in nature. The half metallic band gaps for x = 0.125 and 0.25 are 0.69 and 0.39 eV respectively, while the corresponding band gaps are 0.86 and 0.81 eV. The p-d hybridization reduces the magnetic moment of Fe atoms from its free space charge value of 4 μ{sub B} and induces the small magnetic moments on Zn and Se sites. The results are compared with available experimental data. - Highlights: • Zn{sub 1−x}Fe{sub x}Se is ferromagnetic. • Zn{sub 1−x}Fe{sub x}Se is half metallic for x = 0.125 and 0.25. • Half metallic band gaps for x = 0.125 and 0.25 are 0.69 and 0.39 eV respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗