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297 records · Page 17

Discontinuous Spectral Difference Method for Conservation Laws on Unstructured Grids

A new, high-order, conservative, and efficient discontinuous spectral finite difference (SD) method for conservation laws on unstructured grids is developed. The concept of discontinuous and high-order local representations to achieve conservation and high accuracy is utilized in a manner similar to the Discontinuous Galerkin (DG) and the Spectral Volume (SV) methods, but while these methods are based on the integrated forms of the equations, the new method is based on the differential form to attain a simpler formulation and higher efficiency. Conventional unstructured finite-difference and finite-volume methods require data reconstruction based on the least-squares formulation using neighboring point or cell data. Since each unknown employs a different stencil, one must repeat the least-squares inversion for every point or cell at each time step, or to store the inversion coefficients. In a high-order, three-dimensional computation, the former would involve impractically large CPU time, while for the latter the memory requirement becomes prohibitive. In addition, the finite-difference method does not satisfy the integral conservation in general. By contrast, the DG and SV methods employ a local, universal reconstruction of a given order of accuracy in each cell in terms of internally defined conservative unknowns. Since the solution is discontinuous across cell boundaries, a Riemann solver is necessary to evaluate boundary flux terms and maintain conservation. In the DG method, a Galerkin finite-element method is employed to update the nodal unknowns within each cell. This requires the inversion of a mass matrix, and the use of quadratures of twice the order of accuracy of the reconstruction to evaluate the surface integrals and additional volume integrals for nonlinear flux functions. In the SV method, the integral conservation law is used to update volume averages over subcells defined by a geometrically similar partition of each grid cell. As the order of accuracy increases, the partitioning for 3D requires the introduction of a large number of parameters, whose optimization to achieve convergence becomes increasingly more difficult. Also, the number of interior facets required to subdivide non-planar faces, and the additional increase in the number of quadrature points for each facet, increases the computational cost greatly.

Liu, Yen↗

Seasonal variability of light availability and utilization in the Sargasso Sea

A 2 year time series of optical, biogeochemical, and physical parameters, taken near the island of Bermuda, is used to evaluate the sources of temporal variability in light avaliability and utilization in the Sargasso Sea. Integrated assessments of light availability are made by examining the depth of constant percent incident photosynthetically available radiation (% PAR) isolumes. To first order, changes in the depth %PAR isolumes were caused by physical processes: deep convection mixing in the winter which led to the spring bloom and concurrent shallowing of %PAR depths and the occurrence of anomalous thermohaline water masses during the summer and fall seasons. Spectral light availability variations are assessed using determinations of diffuse attenuation coefficient spectra which illustrates a significant seasonal cycle in colored detrital particulate and/or dissolved materials that is unrelated to changes in chlorophyll pigment concentrations. Temporal variations in the photosynthetic light utilization index Psi are used to assess vertically intergrated light utilization variations. Values of Psi are highly variable and show no apparent seasonal pattern which indicates that Psi is not simply a 'biogeochemical constant.' Determinations of in situ primary production rates and daily mean PAR fluxes are used to diagnose the relative role of light limitation in determining vertically integrated rates of primary production integral PP. The mean depth of the light-saturated zone (the vertical region where the daily mean PAR flux was greater than or equal to the saturation irradiance) is only approximately 40 m, although more than one half of interal PP occurred within this zone. Production model results illustrate that accurate predictions of integral PP are dependent upon rates of light-saturated production rather than upon indices of light limitation. It seems unlikely that significant improvements in simple primary production models will come from the partitioning of the Earth's seas into biogeochemical provinces.

Siegel, David A.↗

Modelling the Greenland Ice Sheet's Committed Contribution to Sea Level During the 21st Century

Mass loss from the Greenland Ice Sheet can be partitioned between surface mass balance and discharge due to ice dynamics through its marine-terminating outlet glaciers. A perturbation to a glacier terminus (e.g., a calving event) results in both an instantaneous response in velocity and mass loss and a diffusive response due to the evolution of ice thickness over time. This diffusive response means the total impact of a retreat event can take decades to be fully realized. Here we model the committed response of the Greenland Ice Sheet by applying perturbations to the marine-terminating glacier termini that represent recent observed changes, and simulating the response over the 21st century, while holding the climate forcing constant. The sensitivity of the ice sheet response to model parameter uncertainty is explored within an ensemble framework, and Gravity Recovery and Climate Experiment data is used to constrain the results using a Bayesian calibration approach. We find that the Greenland Ice Sheet's committed contribution to 21st century sea level rise is at least 33.5 [17.5 52.4] mm (25th and 75th percentiles in brackets), with at least 6 mm being attributable directly to terminus retreat that occurred between 2007 and 2015. The spread in our projections is driven by uncertainty in the basal friction coefficient. Our results complement the ISMIP6 Greenland projections, which report the ice sheet response to future forcing, excluding the background response. In this way, we can obtain estimates of Greenland's total contribution to sea level rise in 2100.

Isabel J. Nias↗

Mountain Basin Controls on the Snow-to-Streamflow Signal: An AIC-Weighted Multiple Linear Regression Framework

A regression-based analysis quantifies how basin characteristics modulate the snow-to-streamflow signal. First, we use the ERA5-Land reanalysis gridded product (European Centre for Medium Range Weather Forecasts reanalysis 5 -Land component) for 4,655 hydrologic unit code - 10 (HUC10) mountain basins across the western United States (US) for water years 1987–2024. Linear regressions are performed for peak snow water equivalent (SWE) and annual streamflow for each mountain basin. Models use ordinary least squares in Python’s statsmodels package. After which, an Akaike Information Criterion (AIC)–weighted ensemble multiple linear regression (MLR) framework with 47 watershed traits is used to predict the linear regression coefficient of determination (r-squared) defining the ability of peak SWE to predict annual streamflow across all mountain basin. Predictor sets are constrained to avoid multicollinearity by excluding models with variance inflation factors (VIF) greater than 5. Mountain basin traits included in the MLR include seasonal climate, topography, vegetation type and structure, and bedrock geology. Accepted models are considered if their AIC is within 2.0 of the model with the minimum AIC, or best model. To compare predictor influence across acceptable models, we computed standardized regression coefficients. To evaluate structural redundancy among models, we constructed binary inclusion vectors for each acceptable model, denoting whether a predictor was present (1) or absent (0). Core predictor variables are defined as occurring in at least 67% of the acceptable models. For this regional analysis, only one model was found acceptable, with higher snow-to-streamflow translation (higher r-squared) occurring in colder mountain basins with higher relative winter precipitation, more snow accumulation and a lower fraction of annual precipitation that falls in the spring and summer. The second component of the data package uses previously published, high-resolution output from an integrated hydrological model of the East River watershed using the U.S. Geological Survey Groundwater and Surface water Flow model (GSFLOW, doi:10.15485/1998576). East River MLR expands upon the approach described above to explore the response of five streamflow metrics—annual streamflow, runoff efficiency, 7-day minimum flow, low-flow duration, and non-perennial stream fraction to snow system indicators including peak SWE, snow-covered area, snow disappearance date, and the fraction of basin area characterized by low-to-no snow, as well as seasonal precipitation and temperature, and annual hydrologic variables representing soil moisture, evapotranspiration (ET), the partitioning of incoming precipitation to evapotranspiration (ET/P), groundwater storage, and groundwater inflow to streams. MLR was done on all water years (P0: 1987-2024) and for each period as determined in the split analysis using pooled regression techniques (P1: 1987-2011 and P2: 2012-2024) to evaluate shifting predictor variable emphasis on streamflow generation. Results indicate that since 2012, peak SWE has lost statistical strength in its prediction of annual streamflow and runoff efficiency, and the indirect influence of spring temperature has emerged as critically important. Low-flow metrics remain largely influenced by soil moisture, vegetation water use and groundwater inflows with summer precipitation becoming a direct influence on minimum summer flow. Together, these data and Python-based analysis tools provide a framework for identifying the key watershed characteristics that control how streamflow responds to snow from year to year. The package also helps quantify uncertainty in statistical models and assess how snow–streamflow relationships vary across regions and over time. This dataset contains comma-separated values files (.csv), text files (.txt), python code files (.py), figure files (.png), and shapefiles (.cpg, .dbf, .prj, .sbn, .sbx, .shp, .xml). Further details on file contents and MLR execution can be found in the readme file and the FLMD files. Work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

54 ENVIRONMENTAL SCIENCES↗

Definition of a Technology Validation Mission for P-band Reflectometry using Signals of Opportunity

Root-Zone Soil Moisture (RZSM) (moisture profile in the top meter of soil) and Snow Water Equivalent (SWE) (total snow pack water content) are identified as priority target variables in the ESAS 2017 decadal survey [1] with critical roles in hydrology and water management. RZSM estimates are vital for understanding multiple Earth system processes and forecasting (for example, droughts [2]). Simultaneous knowledge of surface and RZSM could enable a breakthrough in estimating key unobserved hydrologic fluxes and reduce uncertainty in net ecosystem exchange (NEE), carbon balance [3] discharge estimates, and crop yield forecasts [4] .With the high albedo and insulating properties of snow, monitoring, SWE accumulation would provide a key constraint on the potential runoff during spring ablation while monitoring SWE disappearance rates would provide a key constraint on SWE partition into runoff vs. infiltration/recharge. [5] demonstrated that knowledge of early-spring SWE generally contributes most to streamflow forecast skill in the Western U.S. SWE is also a source of water storage that provides the water resources during spring snowmelt. Despite such potentially transformative contributions, accurate RZSM and SWE measurements are unattainable with current technology. While active/passive L-band methods (e.g. SMAP, SMOS) can reliably retrieve surface soil moisture in the top 5 cm of soil [6], [7]. RZSM estimates are only available through model assimilation of brightness temperatures with a radiative transfer and land surface models [8]. SWE estimation uses multi-frequency passive microwave techniques (e.g. [9]-[11]), which have significant problems with deeper snow and in forested and mountainous environments [12]. Signals of opportunity (SoOp) in P-band (200-400 MHz) is a new remote sensing technique with the capability of estimating both essential hydrologic variables, RZSM and SWE, circumventing many of the aforementioned limitations under all weather conditions day and night. SoOp is the re-utilization of existing powerful satellite transmissions within bands allocated for communications or navigation. P-band SoOp sensitivity to soil moisture has been demonstrated in an airborne experiment over Oklahoma in 2016 [13]. Recent theory [14] and experiments [15] have also confirmed that the reflection coefficient phase is proportional to SWE.

Garrison, J. L.↗

Rate Coefficients of C2H with C2H4, C2H6, and H2 from 150 to 359 K

Rate coefficients for the reactions C2H with C2H4, C2H6, and H2 are measured over the temperature range 150-359 K using transient infrared laser absorption spectroscopy. The ethynyl radical is formed by photolysis of C2H2 with a pulsed excimer laser at 193 nm, and its transient absorption is monitored with a color center laser on the Q(sub 11)(9) line of the A(sup 2) Pi-Chi(sup 2) Sigma transition at 3593.68 cm(exp -1). Over the experimental temperature range 150-359 K the rate constants of C2H with C2H4, C2H6, and H2 can be fitted to the Arrhenius expressions k(sub C2H4) = (7.8 +/- 0.6) x 10(exp -11) exp[(134 +/- 44)/T], k(sub C2H6) = (3.5 +/- 0.3) x 10(exp -11) exp[(2.9 +/- 16)/T], and k(sub H2) = (1.2 +/- 0.3) x 10(exp -11) exp[(-998 +/- 57)]/T cm(exp 3) molecule(exp -1) sec(exp -1). The data for C2H with C2H4 and C2H6 indicate a negligible activation energy to product formation shown by the mild negative temperature dependence of both reactions. When the H2 data are plotted together with the most recent high-temperature results from 295 to 854 K, a slight curvature is observed. The H2 data can be fit to the non-Arrhenius form k(sub H2) = 9.2 x 10(exp -18) T(sup 2.17 +/- 0.50) exp[(-478 +/- 165)/T] cm(exp 3) molecules(exp -1) sec(exp -1). The curvature in the Arrhenius plot is discussed in terms of both quantum mechanical tunneling of the H atom from H2 to the C2H radical and bending mode contributions to the partition function.

Opansky, Brian J.↗

Impeller flow field characterization with a laser two-focus velocimeter

Use of Computational Fluid Dynamics (CFD) codes, prevalent in the rocket engine turbomachinery industry, necessitates data of sufficient quality and quantity to benchmark computational codes. Existing data bases for typical rocket engine configurations, in particular impellers, are limited. In addition, traditional data acquisition methods have several limitations: typically transducer uncertainties are 0.5% of transducer full scale and traditional pressure probes are unable to provide flow characteristics in the circumferential (blade-to-blade) direction. Laser velocimetry circumvents these limitations by providing +0.5% uncertainty in flow velocity and +0.5% uncertainty in flow angle. The percent of uncertainty in flow velocity is based on the measured value, not full range capability. The laser electronics multiple partitioning capability allows data acquired between blades as the impeller rotates, to be analyzed separately, thus providing blade-to-blade flow characterization. Unlike some probes, the non-intrusive measurements made with the laser velocimeter does not disturb the flow. To this end,, and under Contract (NAS8-38864) to the National Aeronautics and Space Administration (NASA) at Marshall Space Flight Center (MSFC), an extensive test program was undertaken at Rocketdyne. Impellers from two different generic rocket engine pump configurations were examined. The impellers represent different spectrums of pump design: the Space Shuttle Main Engine (SSME) high pressure fuel turbopump (HPFTP) impeller was designed in the 1 1970's the Consortium for CFD application in Propulsion Technology Pump Stage Technology Team (Pump Consortium) optimized impeller was designed with the aid of modern computing techniques. The tester configuration for each of the impellers consisted of an axial inlet, an inducer, a diffuser, and a crossover discharge. While the tested configurations were carefully chosen to be representative of generic rocket engine pumps, several features of both testers were intentionally atypical. A crossover discharge, downstream of the impeller, rather than a volute discharge was used to minimize asymmetric flow conditions that might be reflected in the impeller discharge flow data. Impeller shroud wear ring radial clearances were purposely close to minimize leakage flow, thus increasing confidence in using the inlet data as an input to CFD programs. The empirical study extensively examined the flow fields of the two impellers via performance of laser two-focus velocimeter surveys in an axial plane upstream of the impellers and in multiple radial planes downstream of the impellers. Both studies were performed at the impeller design flow coefficients. Inlet laser surveys that provide CFD code inlet boundary conditions were performed in one axial plane, with ten radial locations surveyed. Three wall static pressures, positioned circumferentially around the impeller inlet, were used to identify asymmetrical pressure distributions in the inlet survey plane. The impeller discharge flow characterization consisted of three radial planes for the SSME HPFTP impeller and two radial planes for the Pump Consortium optimized impeller. Housing wall static pressures were placed to correspond to the radial locations surveyed with the laser velocimeter. Between five and thirteen axial stations across the discharge channel width were examined in each radial plane during the extensive flow mapping. The largely successful empirical flow characterization of two different impellers resulted in a substantial contribution to the limited existing data base, and yielded accurate data for CFD code benchmarking.

Brozowski, L. A.↗

Implementation and evaluation of multi-dual mode counter-current chromatography in the CUP Modeler software

Counter-current chromatography (CCC) is a separation technique that utilizes immiscible solvent pairs as stationary and mobile phases, which imparts numerous benefits compared to solid-liquid chromatography including the ability to treat either the more-dense or less-dense solvent layer as the mobile phase. Multi-dual mode (MDM) is a CCC elution mode capable of improving the separation of closely eluting compounds by alternating upper- and lower-layer solvent flows in opposing directions within the same separation. While some effort has been made to model MDM, implementation of these models in experimental design has yet to be widely adopted. Accordingly, we further developed our previously published cell utilized partitioning (CUP) model to include MDM predictions with CCC and packaged the full suite of CUP modeling capabilities into a user-friendly, open-source tool called the CUP Modeler. The mathematical model for MDM CCC was derived and validated with experimental separation of ethyl guaiacol (EG) and ethyl phenol (EP), two compounds that co-elute in our previously demonstrated reductive catalytic fractionation (RCF) lignin monomer isolation method. The developed MDM model provided insights into the effect of multiple operating parameters - including stationary phase retention, flow rate, column efficiency, feed concentration ratio, selectivity factor, and solute distribution ratios - on the separation yields, productivity, and purities. Our model agreed with prevailing understanding of MDM but also revealed new insights including that the ideal distribution ratios for co-eluting solutes to be separated by MDM is between 1.1 and 1.5, with the lower value ideally close to 1.25. Overall, this work provides fundamental insights for MDM process design and enables broader adoption of general liquid-liquid chromatography with a new, open-source user-friendly interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Towards an Enhanced Droplet Activation Scheme for Multi-Moment Bulk Microphysics Schemes

Initial droplet spectra produced upon activation impact the ensuing chain of microphysical processes andtherefore play a crucial role in cloud evolution. This work re-examines dependencies of newly formed clouddroplet size distribution (CDSD) characteristics on environmental and aerosol properties via parcel model simulationsthat serve as the basis for a multi-moment bulk microphysics droplet activation scheme suitable for acloud-resolving model (CRM). It is found that applying a fixed size threshold to define activated droplets versusemploying physical considerations can lead to erroneous activation and overly broad CDSDs for high aerosolconcentration and weak updraft conditions. Aerosol distributions characterized by larger median sizes and/orincreased solubility can result in greater activated droplet numbers, whereas impacts of these parameters onCDSD spectral width depend on both aerosol number concentration and updraft velocity. An expansion of theactivation scheme to include CDSD spectral width is proposed to aid efforts to extend high-order momentprediction to cloud droplet categories in CRMs as well as better represent variability in the activation process onthe cloud scale.simulations to investigate the regime dependence of the relative dispersion(d)1 of newly activated CDSDs, where d is the ratio of dropletradius standard deviation (σ) to the mean radius (r ). C16 demonstratedthat increasing Na resulted in increasing (decreasing) d values via reducedcondensational narrowing (spectral broadening) rates within theAL (UL) regime, with d values peaking in the TR regime. Their findingssuggest a similar regime dependence for d as R09 noted for Nc and helpexplain reportedly conflicting relationships between Na and CDSDspectral characteristics (cf. Hudson and Noble, 2014; Liu et al., 2014),although the applicability of these results within bulk microphysicalschemes was not addressed.Simulating aerosol-cloud interactions with CRMs employing bulkmicrophysics requires that the scheme minimally predict two CDSDparameters, namely mass and number concentrations, and represent thedroplet activation process. Various activation schemes aim to determineNc from aerosol and environmental properties and include analyticalexpressions (e.g., Abdul-Razzak et al., 1998; Morrison et al., 2005) aswell as lookup tables (LUTs) based on detailed parcel model calculations(e.g., Saleeby and Cotton, 2004, hereafter SC04; Segal and Khain,2006; Thompson and Eidhammer, 2014). Expressions to diagnose CDSDspectral width from Nc (Grabowski, 1998; Liu et al., 2006; Morrison andGrabowski, 2007) or cloud water content (Geoffroy et al., 2010) havealso been developed, although more robust methods to obtain CDSDspectral width upon activation are presently lacking. This latter point isrelevant for triple-moment (3 M) bulk microphysics that aim to predictdistribution spectral width alongside number and mass concentrations(e.g., Loftus et al., 2014; Milbrandt and Yau, 2005).The current work extends the findings of C16 to the current LUTbasedaerosol activation scheme used in the Regional AtmosphericModeling System (RAMS) (Cotton et al., 2003; SC04; Saleeby and vanden Heever, 2013, hereafter SvdH13) and additionally examinesaerosol size and solubility impacts on newly activated CDSD properties.Because early cloud development processes such as condensationalgrowth, evaporation, and droplet self-collection depend on and impactCDSD spectral width (Hudson and Yum, 1997; Seifert and Beheng 2001;Lu and Seinfeld, 2006; Igel and van den Heever, 2017), an expansion ofthe activation LUTs to include CDSD spectral width is proposed as apreliminary step for extending 3M prediction to CDSDs in CRMs forimproved simulations of aerosol-cloud interactions.2. MethodologyThe current RAMS two-moment microphysics module determinesthe fractional number of aerosol particles that activate to cloud dropletsfrom five-dimensional LUTs based on model predicted air temperature(T), w, Na, and the geometric median radius (rg) and soluble fraction (ε)of the aerosol size distribution (SvdH13). These LUTs are created offlineusing a one-dimensional Lagrangian adiabatic parcel model (Feingoldand Heymsfield, 1992; Heymsfield and Sabin, 1989; SC04) to simulateexplicit droplet activation and initial CDSD growth for a range of ambientatmospheric conditions [T, w] and binned lognormal aerosol sizedistributions given by= ⎡⎣ ⎢− ⎤⎦ ⎥N r Nr π σr rσ( )2 lnexp[ln( / )]2(ln )aggg22 (1)where r is the dry aerosol particle bin radius and σg is the geometricstandard deviation of the distribution. As the parcel model simulationsfocus on the activation process, other processes such as coalescence,sedimentation, and mixing are not considered. Details of the parcelmodel can be found in SC04 and SvdH13, and only a brief description isprovided here. At the onset of parcel model calculations, the initiallydry aerosol particles in all bins first deliquesce and reach theirequilibrium diameters in a sub-saturated environment based on theKöhler equation for solution droplets. The parcel is then lifted at a fixedupward velocity w, and particle growth by vapor diffusion, along withconcurrent changes in the ambient environment, are iteratively computedusing the Variable-coefficient Ordinary Differential Equation(VODE) solver (Brown et al., 1989). The time resolution of these calculationsis determined within the VODE solver, and the frequency atwhich the solver is called is controlled by a longer model time stepbased on fixed upward parcel displacement increments (Δz) at thespecified w (Δt=Δz/w). Model calculations proceed until the parcelreaches a height 50m beyond the level of maximum saturation ratio(Smax) or total parcel displacement exceeds 2 km. Upon model termination,Smax and the fractional number of aerosols (factv) resulting innewly formed cloud droplets, defined as particles having diameters of atleast 2 μm, are cataloged in the LUTs according to the specified T, w, Na,rg, and ε parameter values.A critical point regarding the creation of these LUTs is the use of afixed minimum diameter (Dmin) to define cloud droplets in the parcelmodel, which can produce erroneous CDSD characteristics, particularlywithin the UL regime. For aerosol distributions with large rg valuesunder low SS conditions, for example, deliquesced aerosols within thelarge tail of the distribution can exceed 2 μm in diameter yet remainunactivated as ‘haze’ particles (Levin and Cotton, 2009; McFigganset al., 2006). For this study, aerosol particles activate to cloud dropletsbased on the critical diameter Dcrit as a function of parcel supersaturationratio (Sr) as in R09:D = σ MS RTρ83 ln( ) critsol wr w (2)where σsol is the surface tension of a solution droplet, Mw and ρw are themolar mass and density of liquid water, respectively, and R is theuniversal gas constant. Additionally, at relatively large w values withinthe AL regime, Nc stabilizes shortly after reaching supersaturation.However, parcel ascent and condensational growth continue beyondthe level of Smax, potentially causing additional narrowing of the CDSD.In the current work, model calculations terminate upon reaching Smaxas changes in Nc are negligible with continued ascent (Peng et al., 2007;R09).Parcel model simulations are performed to examine the sensitivitiesof CDSD characteristics to w, Na, rg, and ε, with the ranges for theseparameters listed in Table 1. Aerosols are assumed to be a mix of solubleand insoluble material of equal density, specified by ε, where fullysoluble aerosols correspond to ammonium sulfate with hygroscopicityparameter κ=0.61 (Petters and Kreidenweis, 2007). FollowingSvdH13, aerosol geometric standard deviation is fixed at σg=1.8, andaerosol distributions (Eq. 1) are partitioned into 100 logarithmicallyspacedbins spanning a size range specific to each rg value. For all simulations,Δz=1 m, and initial values of relative humidity, air temperatureand pressure are set to RH=0.99, T=10 °C and p=900 hPa,respectively.

Loftus, Adrian M.↗