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At least 307 records · Page 17

A Stochastic Fractional Dynamics Model of Space-time Variability of Rain

Rainfall varies in space and time in a highly irregular manner and is described naturally in terms of a stochastic process. A characteristic feature of rainfall statistics is that they depend strongly on the space-time scales over which rain data are averaged. A spectral model of precipitation has been developed based on a stochastic differential equation of fractional order for the point rain rate, that allows a concise description of the second moment statistics of rain at any prescribed space-time averaging scale. The model is thus capable of providing a unified description of the statistics of both radar and rain gauge data. The underlying dynamical equation can be expressed in terms of space-time derivatives of fractional orders that are adjusted together with other model parameters to fit the data. The form of the resulting spectrum gives the model adequate flexibility to capture the subtle interplay between the spatial and temporal scales of variability of rain but strongly constrains the predicted statistical behavior as a function of the averaging length and times scales. We test the model with radar and gauge data collected contemporaneously at the NASA TRMM ground validation sites located near Melbourne, Florida and in Kwajalein Atoll, Marshall Islands in the tropical Pacific. We estimate the parameters by tuning them to the second moment statistics of radar data. The model predictions are then found to fit the second moment statistics of the gauge data reasonably well without any further adjustment.

TRMM↗

FUN-BioCROP model with litter decomposition parameters derived from the LIDET dataset

This repository contains the code and data necessary to run the FUN-BioCROP (Fixation and Uptake of Nitrogen-Bioenergy Carbon, Rhizosphere, Organisms, and Protection) model with litter decomposition parameters derived from a modified Monte Carlo simulation that used the Long-term Intersite Decomposition Experiment Team dataset. Related publication:Juice, S.M., Ridgeway, J.R., Hartman, M.D., Parton, W.J., Berardi, D.M., Sulman, B.N., Allen, K.E., & Brzostek, E.R. Reparameterizing litter decomposition using a simplified Monte Carlo method improves litter decay simulated by a microbial model and alters bioenergy soil carbon estimates. Description of Files: FUNBioCROP_LIDET Study.Rmd R code with FUN-BioCROP model that can be run with 10 different sets of parameters for litter decomposition (Baseline, LIDET, or eight other best parameter sets identified in the modified Monte Carlo simulation. CORPSE Functions_Bioenergy_V2.R Code with CORPSE model functions, called by FUNBioCROP_LIDET Study.Rmd Model Input Data: bulk.csv, bulk_till.csv, rhizo.csv, rhizo_till.csv, litter.csv Initial C and N (kg C or N/m2) pool values for each soil compartment, final values from spin up. All five files have the same columns: (Column - Description - Units) uFastC - Unprotected fast decomposing carbon - kg carbon/m2 uSlowC - Unprotected slow decomposing carbon - kg carbon/m2 uNecroC - Unprotected necromass carbon - kg carbon/m2 pFastC - Protected fast decomposing carbon - kg carbon/m2 pSlowC - Protected slow decomposing carbon - kg carbon/m2 pNecroC - Protected necromass carbon - kg carbon/m2 livingMicrobeC - Carbon in living microbial biomass - kg carbon/m2 uFastN - Unprotected fast decomposing nitrogen - kg nitrogen/m2 uSlowN - Unprotected slow decomposing nitrogen - kg nitrogen/m2 uNecroN - Unprotected necromass nitrogen - kg nitrogen/m2 pFastN - Protected fast decomposing nitrogen - kg nitrogen/m2 pSlowN - Protected slow decomposing nitrogen - kg nitrogen/m2 pNecroN - Protected necromass nitrogen - kg nitrogen/m2 inorganicN - Inorganic nitrogen - kg nitrogen/m2 CO2 - Carbon in carbon dioxide - kg carbon/m2 livingMicrobeN - Nitrogen in living microbial biomass - kg nitrogen/m2 Model Input Data: FluxTower_AvgSoilT.csv: Average daily soil temperature (oC) at 10 cm depth at University of Illinois Urbana-Champaign (UIUC) Energy Farm flux tower from 7/2008-3/2016. (One year of averaged data) Model Input Data: FluxTower_AvgSoilVWC.csv: Average daily soil volumetric water content (VWC) at 10 cm depth at UIUC Energy Farm flux tower from 7/2008-3/2016. (One year of averaged data) Model Input Data: input_CCS_LIDET Study.csv: This file has daily data to run FUN-BioCROP (Column - Description - Units): yr - calendar year - year doy - day of year (1 to 365) (no leap year) - day anpp - aboveground NPP (DayCent) - kg C/m2/day bnpp - belowground NPP (DayCent) - kg C/m2/day aglivc - live aboveground biomass carbon (DayCent) - kg C/m2 bglivcj - live juvenile fine root biomass carbon (DayCent) - kg C/m2 bglivcm - live mature fine root biomass carbon (DayCent) - kg C/m2 aglivn - live aboveground biomass nitrogen (DayCent) - kg N/m2 bglivnj - live juvenile fine root biomass nitrogen (DayCent) - kg N/m2 bglivnm - live mature fine root biomass nitrogen (DayCent) - kg N/m2 nyr - simulation year - year cult - indicates a cultivation event (0 or 1) crop - indicates a new crop (0 or 1) fert - indicates a fertilizer event (0 or 1) frst - indicates the first day of the growing season (0 or 1) harv - indicates a harvest event (0 or 1) last - indicates the end of the growing season (0 or 1) croptype - crop type (0=none; 1=alfalfa; 2=corn; 3=grass clover pasture; 4=soybean; 5=wheat) cropsrl - crop specific root length - mm/g root cultrhizmix - fraction of rhizosphere mixed with bulk soil during cultivation (0.0-1.0) - fraction cultlitmix - fraction of litter mixed with bulk soil during cultivation (0.0-1.0) - fraction harvremov - fraction of above ground biomass removed during harvest (0.0-1.0) - fraction fertamt - fertilization amount - g N/m2 lifehist - plant life history (0 = annual, 1 = perennial) froot_turnover_c - amount of C in fine root turnover - kg C/m2 froot_turnover_n - amount of N in fine root turnover - kg N/m2 agrd_turnover_c - amount of C in aboveground biomass turnover - kg C/m2 agrd_turnover_n - amount of N in aboveground biomass turnover - kg N/m2 leaf_litter_fastfrac - Fast decomposing fraction of leaf litter (0.0-1.0) - fraction root_litter_fastfrac - Fast decomposing fraction of root litter (0.0-1.0) - fraction root_diameter - root diameter - mm root_length - root length - mm root/m2 rhizo_frac - fraction of total soil volume that is rhizosphere (0.0 - 1.0) - fraction date - date in format YYYY-MM-DD Instructions: Save the model code ("FUN-BioCROP_LIDET Study.Rmd") and accompanything files (data streams and CORPSE function code) in the same folder. In model code "Chunk 3: Load CORPSE Data Streams" set the working directory (setwd) to the folder with the files saved in step #1. In "Chunk 5: Define LIDET parameter sets" select the litter decomposition parameter set to be used in the run, and comment out all other sets. If changing any parameter values, edit them in "Chunk 6: Load parameters." Run all chunks up to and including "Chunk 10: Prepare Data for Export." In "Chunk 11: Export Output Data" edit data frames for export and filenames, as necessary. "Chunk 12: Graph Total Soil C" makes a figure of C remaining over the model run period. Description of each model chunk (in file FUN-BioCROP_LIDET Study.Rmd): Chunk 1: Remove all functions, clear memory. Removes all functions from R environment, clears the memory. Chunk 2: Load Packages. Loads packages necessary to run the code. Chunk 3: Load CORPSE Data Streams. Sets the working directory and loads the data files necessary to run CORPSE. Chunk 4: Load CORPSE Functions. Loads the R script with CORPSE functions from the working directory, "CORPSE Functions_Bioenergy_V2.R". Chunk 5: Define LIDET parameter sets. Has ten different parameter sets for litter decomposition tested in this study: Baseline parameters, LIDET parameters, and the other 8 best performing parameter sets identified in the modified Monte Carlo. To run the model, all but one parameter set must be commented out. Chunk 6: Load Parameters. Loads all fixed parameters to run the model. Data frame with definitions of parameters is in the CORPSE function script "CORPSE Functions_Bioenergy_V2.R" Chunk 7: Prepare Data Streams. Takes data streams loaded in Chunk 3 and puts them in the format necessary to run the model. The model is coded to run at least two sites at a time, so if only one site is being run it must be run in duplicate. Individual data tables of daily values are created in this chunk from the input data file. Chunk 8: Set Initial Conditions. Creates data tables of soil C and N pools for each soil compartment (rhizo_till, rhizo, bulk_till, bulk, litter) and loads initial values into the data tables. Creates lists for each soil compartment to hold model output. Chunk 9: Load FUN Data and Set Up Matrices. Uses DayCent data to calculate FUN input data: root and leaf N demand, total N demand, plant CN, leaf N available for retranslocation, and litter production. Creates matrices for FUN model outputs. Chunk 10: Run Model. Runs the model. Chunk 11: Prepare Data for Export. Combines data from each day saved as lists into data frames for each soil compartment. Adds values from all soil compartments together to calculate total soil values, creates separate data frames for each soil C and N pool (e.g., protected slow C) for the total soil value. Adds different C and N pools together to calculate total soil C and N for all layers. Creates data frame of ratio of protected to unprotected SOC. Organizes FUN data for export. Chunk 12: Export Results. Exports CSV files of model results to the working directory. Chunk 13: Graph Total Soil C. Makes figure of C remaining over time. Related Links: Original FUN-BioCROP model: https://github.com/BrzostekEcologyLab/FUN-BioCROP LIDET dataset: https://andlter.forestry.oregonstate.edu/data/abstract.aspx?dbcode=TD023

Juice, Stephanie↗

Twisted bilayer graphene as topological heavy fermion: II. Analytical approximations of the model parameters

The recently-introduced topological heavy fermion (THF) model [1] of twisted bilayer graphene (TBG) aims to reconcile the quantum-dot-like electronic structure of the latter observed by scanning tunneling microscopy, with its electron delocalization seen in transport measurements. The THF model achieves this by coupling localized (heavy) fermions with anomalous conduction electrons. Originally, the parameters of the THF model were obtained numerically from the Bistritzer–Macdonald (BM) model of TBG [1]. In this work, we derive analytical expressions for the THF model parameters as a function of the twist angle, the ratio between the tunneling amplitudes at the AA and AB regions (w 0 /w 1 ), and the screening length of the interaction potential. By numerically computing the THF model parameters across an extensive experimentally-relevant parameter space, we show that the resulting approximations are remarkably good, i.e., within the 30% relative error for almost the entire parameter space. At the single-particle level, the THF model accurately captures the energy spectrum of the BM model over a large phase space of angles and tunneling amplitude ratios. When interactions are included, we also show that the THF description of TBG is good around the magic angle for realistic values of the tunneling amplitude ratios (0.6 ≤ w 0 /w 1 ≤ 1.0), for which the hybridization between the localized and conduction fermions γ is smaller than the onsite repulsion of the heavy fermions U 1 (i.e., |γ| < U 1 ).

Approximation methods↗

Capillary Flow in an Interior Corner

The design of fluids management processes in the low-gravity environment of space requires an accurate model and description of capillarity-controlled flow in containers of irregular geometry. Here we consider the capillary rise of a fluid along an interior corner of a container following a rapid reduction in gravity. The analytical portion of the work presents an asymptotic formulation in the limit of a slender fluid column, slight surface curvature along the corner, small inertia, and low gravity. New similarity solutions are found and a list of closed form expressions is provided for flow rate and column length. In particular, it is found that the flow is proportional to t(exp 1/2) for a constant height boundary condition, t(exp 2/5) for a spreading drop, and t(exp 3/5) for constant flow. In the experimental portion of the work, measurements from a 2.2s drop tower are reported. An extensive data set, collected over a previously unexplored range of flow parameters, includes estimates of repeatability and accuracy, the role of inertia and column slenderness, and the effects of corner angle, container geometry, and fluid properties. Comprehensive comparisons are made which illustrate the applicability of the analytic results to low-g fluid systems design.

Weislogel, Mark Milton↗

An idealized model for the crystal structure of intermetallic compounds isostructural with Mg 3 Cr 2 Al 18

Mg 3 Cr 2 Al 18 (abbreviated in this report as MCA) is the parent phase for a large class of intermetallic compounds that belong to the cubic crystal space group, $Fd\overline{3}m$. The purpose of this paper is to introduce an ideal, unrelaxed crystal structure for compounds isostructural with MCA. There are five distinct atomic sublattices in MCA compounds, which can be denoted, $A, B, C, D,$ and $E$. With this, a general description for MCA structures can be written as $A^{8a}_{1}B^{16c}_{2}C^{16d}_{2}D^{48f}_{6}E^{96g}_{12}$, where the superscripts represent the Wyckoff special equipoints associated with the various sublattices in MCA, and the subscripts indicate the contributions of each sublattice to the stoichiometry of one formula unit in an any given MCA structured compound. Sublattices D and E are where deviations from ideality occur in real, MCA-like compounds. This paper examines MCA bond lengths, nearest-neighbour polyhedral arrangements, 3-D sublattice crystal structures, 2-D atom tessellation patterns, and crystal chemical effects associated with atomic relaxations on the $D$ and $E$ sublattices. The ideal MCA crystal structure developed in this report provides an appropriate initial structure for use as input to crystal structure refinements of diffraction data for MCA-like phases being examined experimentally, or as input for computational, atomistic simulations of the structures of such compounds.

36 MATERIALS SCIENCE↗

Assessing Wetland Hydroperiod and Soil Moisture With Remote Sensing: A Demonstration for the NASA Plum Brook Station Year 2

Primary Goal: Assist with the evaluation and measuring of wetlands hydroperiod at the PlumBrook Station using multi-source remote sensing data as part of a larger effort on projecting climate change-related impacts on the station's wetland ecosystems. MTRI expanded on the multi-source remote sensing capabilities to help estimate and measure hydroperiod and the relative soil moisture of wetlands at NASA's Plum Brook Station. Multi-source remote sensing capabilities are useful in estimating and measuring hydroperiod and relative soil moisture of wetlands. This is important as a changing regional climate has several potential risks for wetland ecosystem function. The year two analysis built on the first year of the project by acquiring and analyzing remote sensing data for additional dates and types of imagery, combined with focused field work. Five deliverables were planned and completed: 1) Show the relative length of hydroperiod using available remote sensing datasets 2) Date linked table of wetlands extent over time for all feasible non-forested wetlands 3) Utilize LIDAR data to measure topographic height above sea level of all wetlands, wetland to catchment area radio, slope of wetlands, and other useful variables 4) A demonstration of how analyzed results from multiple remote sensing data sources can help with wetlands vulnerability assessment 5) A MTRI style report summarizing year 2 results. This report serves as a descriptive summary of our completion of these our deliverables. Additionally, two formal meetings were held with Larry Liou and Amanda Sprinzl to provide project updates and receive direction on outputs. These were held on 2/26/15 and 9/17/15 at the Plum Brook Station. Principal Component Analysis (PCA) is a multivariate statistical technique used to identify dominant spatial and temporal backscatter signatures. PCA reduces the information contained in the temporal dataset to the first few new Principal Component (PC) images. Some advantages of PCA include the ability to filter out temporal autocorrelation and reduce speckle to the higher order PC images. A PCA was performed using ERDAS Imagine on a time series of PALSAR dates. Hydroperiod maps were created by separating the PALSAR dates into two date ranges, 2006-2008 and 2010, and performing an unsupervised classification on the PCAs.

Brooks, Colin↗

An economic study of an advanced technology supersonic cruise vehicle

A description is given of the methods used and the results of an economic study of an advanced technology supersonic cruise vehicle. This vehicle was designed for a maximum range of 4000 n.mi. at a cruise speed of Mach 2.7 and carrying 292 passengers. The economic study includes the estimation of aircraft unit cost, operating cost, and idealized cash flow and discounted cash flow return on investment. In addition, it includes a sensitivity study on the effects of unit cost, manufacturing cost, production quantity, average trip length, fuel cost, load factor, and fare on the aircraft's economic feasibility.

Smith, C. L.↗

An Approach to Shape Parameterization Using Laboratory Hypervelocity Impact Experiments

NASA’s Orbital Debris Program Office relies on laboratory-based impact tests to supplement the measurement data of on-orbit events that defines the orbital debris environment. These experiments provide information that is essential to interpreting the radar and optical measurements of orbital fragmentation events into useful metrics, such as characteristic size of the debris, and to providing a better understanding of the distributions of fragment populations in terms of their masses, material constituents, fragment densities, cross-sectional areas, area-to-mass ratios, shapes, etc. The Satellite Orbital Debris Characterization Impact Test (SOCIT) was a notable laboratory impact experiment conducted in 1992 using a surplus U.S. Navy Transit navigation satellite of the 1960s. The data from this ground-based experiment were combined with on-orbit measurements to develop the NASA Standard Satellite Breakup Model (SSBM). To account for advancements in satellite design and construction since, a new impact test series – DebriSat – was conducted in 2014. This test utilized a high-fidelity mock-up spacecraft that better represents the materials and construction techniques used to design and manufacture modern spacecraft. Together, these tests offer valuable data to model an orbital debris environment composed of legacy and modern spacecraft. This paper presents an overview of the two laboratory impact tests, comparing their fragment parameter distributions with each other and with relevant distributions from the NASA SSBM. The categorization and descriptions of fragment shapes are of significant interest for future work, yet there are marked differences in the definitions of shape categories between each dataset. The categorizations of constituent materials, and the measurement techniques employed to populate these two datasets, are also different. New rubrics simplify and equate the categorizations between datasets to aid comparative analyses and to facilitate the potential use of both datasets in tandem with future environmental debris models. A preferred approach to classifying shape across disparate datasets uses the characteristic-length dimensions, and a simplified shape classification based on physical, solid-body dimensions, to mathematically construct an encapsulating right-circular cylinder that represents the fragment. The ratio of cylinder length-to-diameter (L:D) then provides a single continuum value for shape that is strongly correlated with its designated shape and size. This metric can then be used to further assess the distribution of shape with populations of other fragment characteristics within these datasets. The shape parameterization using the L:D ratios of right-circular cylinders is discussed.

John H. Seago↗

An Approach to Shape Parameterization Using Laboratory Hypervelocity Impact Experiments

NASA’s Orbital Debris Program Office relies on laboratory-based impact tests to supplement the measurement data of on-orbit events that defines the orbital debris environment. These experiments provide information that is essential to interpreting the radar and optical measurements of orbital fragmentation events into useful metrics, such as characteristic size of the debris, and to providing a better understanding of the distributions of fragment populations in terms of their masses, material constituents, fragment densities, cross-sectional areas, area-to-mass ratios, shapes, etc. The Satellite Orbital Debris Characterization Impact Test (SOCIT) was a notable laboratory impact experiment conducted in 1992 using a surplus U.S. Navy Transit navigation satellite of the 1960s. The data from this ground-based experiment were combined with on-orbit measurements to develop the NASA Standard Satellite Breakup Model (SSBM). To account for advancements in satellite design and construction since, a new impact test series – DebriSat – was conducted in 2014. This test utilized a high-fidelity mock-up spacecraft that better represents the materials and construction techniques used to design and manufacture modern spacecraft. Together, these tests offer valuable data to model an orbital debris environment composed of legacy and modern spacecraft. This paper presents an overview of the two laboratory impact tests, comparing their fragment parameter distributions with each other and with relevant distributions from the NASA SSBM. The categorization and descriptions of fragment shapes are of significant interest for future work, yet there are marked differences in the definitions of shape categories between each dataset. The categorizations of constituent materials, and the measurement techniques employed to populate these two datasets, are also different. New rubrics simplify and equate the categorizations between datasets to aid comparative analyses and to facilitate the potential use of both datasets in tandem with future environmental debris models. A preferred approach to classifying shape across disparate datasets uses the characteristic-length dimensions, and a simplified shape classification based on physical, solid-body dimensions, to mathematically construct an encapsulating right-circular cylinder that represents the fragment. The ratio of cylinder length-to-diameter (L:D) then provides a single continuum value for shape that is strongly correlated with its designated shape and size. This metric can then be used to further assess the distribution of shape with populations of other fragment characteristics within these datasets. The shape parameterization using the L:D ratios of right-circular cylinders is discussed.

John H Seago↗

A scoping study of far-SOL main-wall protection limiters for steady-state operation of compact pilot plant tokamaks

We present a novel method for handling steady-state heat fluxes incident on the main wall of pilot plant-scale magnetic fusion devices, based on the utilization of protection limiters in the far scrape-off layer (SOL). This method helps avoid large plasma-wall gaps, without excessively compromising blanket performance. We present an optimization algorithm for determining the appropriate size and scale of these protection limiters given (1) probability distributions of SOL plasma parameters and (2) assumed risk tolerance. As part of this optimization, we have developed an analytic description of parallel heat fluxes across limiter shadows, and an objective cost function (the ‘Far-SOL Marginal Cost’) to quantify the impact that different main-wall thermal management design choices have on reactor capital cost. Applying the model to a midscale fusion pilot plant concept shows that making use of far-SOL protection limiters can reduce capital costs on the order of $500 M, relative to naively increasing the plasma-wall gap. Our analysis demonstrates that the far-SOL power decay length is the highest-leverage plasma assumption for thermal loading of the first wall, and the primary cost driver for main wall thermal management. The relative cost efficiency of protection limiters increases as assumptions on the far-SOL heat flux become more pessimistic. The concepts described in this paper motivate the further development of far-SOL protection limiters as part of larger efforts to design economical core-edge-wall compatible solutions for a fusion pilot plant.

Design under uncertainty↗

A study of pilot modeling in multi-controller tasks

A modeling approach, which utilizes a matrix of transfer functions to describe the human pilot in multiple input, multiple output control situations, is studied. The approach used was to extend a well established scalar Wiener-Hopf minimization technique to the matrix case and then study, via a series of experiments, the data requirements when only finite record lengths are available. One of these experiments was a two-controller roll tracking experiment designed to force the pilot to use rudder in order to coordinate and reduce the effects of aileron yaw. One model was computed for the case where the signals used to generate the spectral matrix are error and bank angle while another model was computed for the case where error and yaw angle are the inputs. Several anomalies were observed to be present in the experimental data. These are defined by the descriptive terms roll up, break up, and roll down. Due to these algorithm induced anomalies, the frequency band over which reliable estimates of power spectra can be achieved is considerably less than predicted by the sampling theorem.

Whitbeck, R. F.↗

FECM/NETL Natural Gas with Hydrogen Pipeline Cost Model (2024): Description and User’s Manual

This is the user’s manual for The FECM/NETL Natural Gas with Hydrogen Pipeline Cost Model (NG-H2_P_COM) that estimates costs for transporting gaseous hydrogen with natural gas in a pipeline from a source, such as a hydrogen production facility, to a final destination which may be a user of the hydrogen and natural gas or a distribution center where hydrogen in the pipeline with natural gas is diverted to multiple end users. This user’s manual provides two main functions. First, the detailed statement describes the equations and algorithms that are used by the model to calculate technical quantities (such as blend hydrogen percentage, reuse percentage of the pipeline and stations, the pipe diameter size and length needed to transport a user-specified hydrogen with natural gas rate in a specified distance) and engineering-economic quantities (such as capital costs, operating costs, and cash flows). Second, the document is a user’s manual for the model that describes the procedures the user must follow to configure and setup the model, run the model, analyze the results, and visualize the outcomes. Such details offer user a quick and handy way to utilize the model for their application and decision making. The model can be accessed at this URL: https://www.netl.doe.gov/energy-analysis/details?id=cf3f6564-3c55-4aa5-b712-7160e558d9f6. The Model Results and Comparative Analysis can be accessed here: https://www.netl.doe.gov/energy-analysis/details?id=83862799-a28c-4944-a809-90b7e23d4af6.

03 NATURAL GAS↗

Human strength simulations for one and two-handed tasks in zero gravity

A description is given of a three dimensional hand force capability model for the seated operator and a biomechanical model for analysis of symmetric sagittal plane activities. The models are used to simulate and study human strengths for one and two handed tasks in zero gravity. Specific conditions considered include: (1) one hand active, (2) both hands active but with different force directions on each, (3) body bracing situations provided by portable foot restraint when standing and lap belt when seated, (4) static or slow movement tasks with maximum length of 4 seconds and a minimum rest of 5 minutes between exertions, and (5) wide range of hand positions relative to either the feet or bisection of a line connecting the hip centers. Simulations were also made for shirt sleeved individuals and for the male population strengths with anthropometry matching that of astronauts.

Source record↗

Development of a Platform for High-Resolution Ion Mobility Separations Coupled with Messenger Tagging Infrared Spectroscopy for High-Precision Structural Characterizations

The ability to uniquely identify a compound requires highly precise and orthogonal measurements. Here we describe a newly developed analytical platform that integrates high resolution ion mobility and cryogenic vibrational ion spectroscopy for high-precision structural characterizations. This platform allows for the temporal separation of isomeric/isobaric ions and provides a highly sensitive description of the ion’s adopted geometry in the gas phase. The combination of these orthogonal structural measurements yields precise descriptors that can be used to resolve between and confidently identify highly similar ions. The unique benefits of our instrument, which integrates a structures for lossless ion manipulations ion mobility (SLIM IM) device with messenger tagging infrared spectroscopy, include the ability to perform high-resolution ion mobility separations and to record the IR spectra of all ions simultaneously. The SLIM IM device, with its 13 m separation path length, allows for multipass experiments to be performed for increased resolution as needed. It is integrated with an Agilent qTOF MS where the collision cell was replaced with a cryogenically held (30 K) TW-SLIM module. The cryo-SLIM is operated in a novel manner that allows ions to be streamed through the device and collisionally cooled to a temperature where they can form noncovalently bound N 2 complexes that are maintained as they exit the device and are detected by the TOF mass analyzer. The instrument can be operated in two modes: IMS+IR where the IR spectra for mobility-selected ions can be recorded and IR-only mode where the IR spectra for all mass-resolved ions can be recorded. In IR-only mode, IR spectra (400 cm –1 spectral range) can be recorded in as short as 2 s for high throughput measurements. Further, this work details the construction of the instrument and modes of operation. It provides initial benchmarking of CCS and IR measurements to demonstrate the utility of this instrument for targeted and untargeted approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Coulomb-free 1S0 p − p scattering length from the quasi-free p + d → p + p + n reaction and its relation to universality

Abstract The Coulomb-free 1 S 0 proton-proton ( p - p ) scattering length relies heavily on numerous and distinct theoretical techniques to remove the Coulomb contribution. Here, it has been determined from the half-off-the-energy-shell p - p scattering cross section measured at center-of-mass energies below 1 MeV using the quasi-free p + d → p + p + n reaction. A Bayesian data-fitting approach using the expression of the s-wave nucleon-nucleon scattering cross section returned a p - p scattering length $${a}_{pp}=-18.1{7}_{-0.58}^{+0.52}{| }_{stat}\pm 0.0{1}_{syst}$$ a p p = − 18.1 7 − 0.58 + 0.52 ∣ s t a t ± 0.0 1 s y s t fm and effective range r 0 = 2.80 ± 0.05 s t a t ± 0.001 s y s t fm. A model based on universality concepts has been developed to interpret this result. It accounts for the short-range interaction as a whole, nuclear and residual electromagnetic, according to what the s-wave phase-shift δ does in the description of low-energy nucleon-nucleon scattering data. We conclude that our parameters are representative of the short-range physics and propose to assess the charge symmetry breaking of the short-range interaction instead of just the nuclear interaction. This is consistent with the current understanding that the charge dependence of nuclear forces is due to different masses of up-down quarks and their electromagnetic interactions. This achievement suggests that these properties have a lesser than expected impact in the context of the charge symmetry breaking.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Using the NASA GRC Sectored-One-Dimensional Combustor Simulation

The document is a user manual for the NASA GRC Sectored-One-Dimensional (S-1-D) Combustor Simulation. It consists of three sections. The first is a very brief outline of the mathematical and numerical background of the code along with a description of the non-dimensional variables on which it operates. The second section describes how to run the code and includes an explanation of the input file. The input file contains the parameters necessary to establish an operating point as well as the associated boundary conditions (i.e. how it is fed and terminated) of a geometrically configured combustor. It also describes the code output. The third section describes the configuration process and utilizes a specific example combustor to do so. Configuration consists of geometrically describing the combustor (section lengths, axial locations, and cross sectional areas) and locating the fuel injection point and flame region. Configuration requires modifying the source code and recompiling. As such, an executable utility is included with the code which will guide the requisite modifications and insure that they are done correctly.

Combustion Stability↗

IR-dust observations of Comet Tempel 2 with CRAF VIMS

Measurement strategies are now being planned for using the Visual and Infrared Mapping Spectrometer (VIMS) to observe the asteroid Hestia, and the nucleus, and the gas and dust in the coma of comet P/Tempel 2 as part of the Comet Rendezvous Asteroid Flyby (CRAF) mission. The spectral range of VIMS will cover wavelengths from 0.35 to 5.2 micrometers, with a spectral resolution of 11 nm from 0.35 to 2.4 micrometers and of 22 nm from 2.4 to 5.2 micrometers. The instantaneous field of view (IFOV) provided by the foreoptics is 0.5 milliradians, and the current design of the instrument provides for a scanning secondary mirror which will scan a swath of length 72 IFOVs. The CRAF high resolution scan platform motion will permit slewing VIMS in a direction perpendicular to the swath. This enables the building of a two dimensional image in any or all wavelength channels. Important measurements of the dust coma will include the onset of early coma activity, the mapping of gas and dust jets and correlations with active nucleus areas, observations of the dust coma from various scattering phase angles, coverage of the low wavelength portion of the thermal radiation, and the 3.4 micrometer hydrocarbon emission. A description of the VIMS instrument is presented.

Combi, Michael R.↗

Computational Nanomechanics of Carbon Nanotubes and Composites

Nanomechanics of individual carbon and boron-nitride nanotubes and their application as reinforcing fibers in polymer composites has been reviewed with interplay of theoretical modeling, computer simulations and experimental observations. The emphasis in this work is on elucidating the multi-length scales of the problems involved, and of different simulation techniques that are needed to address specific characteristics of individual nanotubes and nanotube polymer-matrix interfaces. Classical molecular dynamics simulations are shown to be sufficient to describe the generic behavior such as strength and stiffness modulus but are inadequate to describe elastic limit and nature of plastic buckling at large strength. Quantum molecular dynamics simulations are shown to bring out explicit atomic nature dependent behavior of these nanoscale materials objects that are not accessible either via continuum mechanics based descriptions or through classical molecular dynamics based simulations. As examples, we discus local plastic collapse of carbon nanotubes under axial compression and anisotropic plastic buckling of boron-nitride nanotubes. Dependence of the yield strain on the strain rate is addressed through temperature dependent simulations, a transition-state-theory based model of the strain as a function of strain rate and simulation temperature is presented, and in all cases extensive comparisons are made with experimental observations. Mechanical properties of nanotube-polymer composite materials are simulated with diverse nanotube-polymer interface structures (with van der Waals interaction). The atomistic mechanisms of the interface toughening for optimal load transfer through recycling, high-thermal expansion and diffusion coefficient composite formation above glass transition temperature, and enhancement of Young's modulus on addition of nanotubes to polymer are discussed and compared with experimental observations.

Srivastava, Deepak↗