Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Large deviations”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,765 records · Page 98

Signature of Many-Body Localization of Phonons in Strongly Disordered Superlattices

Many-body localization (MBL) has attracted significant research attention due to its immunity to thermalization, role in logarithmic entanglement entropy growth, and opportunities to reach exotic quantum orders. However, experimental realization of MBL in solid-state systems has remained challenging. Here we report evidence of a possible phonon MBL phase in disordered GaAs/AlAs superlattices. Through grazing-incidence inelastic X-ray scattering, we observe a strong deviation of the phonon population from equilibrium in disordered samples doped with ErAs nanodots at low temperature, signaling a departure from thermalization. This behavior occurs within finite phonon energy and wavevector windows, suggesting a localization-thermalization crossover. We support our observation by proposing a theoretical model for the effective phonon Hamiltonian in disordered superlattices, and showing that it can be mapped exactly to a disordered 1D Bose-Hubbard model with a known MBL phase. The large on-site repulsion qualitatively explains the experimental findings. Furthermore, our work provides mode-resolved experimental evidence of phonon localization, potentially extending the scope of MBL to disordered solid-state systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Size-Dependent Biexciton Quantum Yields and Carrier Dynamics of Quasi-Two-Dimensional Core/Shell Nanoplatelets

Quasi-two-dimensional nanoplatelets (NPLs) possess fundamentally different excitonic properties from zero-dimensional quantum dots. We study lateral size-dependent photon emission statistics and carrier dynamics of individual NPLs using second-order photon correlation (g( 2 )(τ)) spectroscopy and photoluminescence (PL) intensity-dependent lifetime analysis. Room-temperature radiative lifetimes of NPLs can be derived from maximum PL intensity periods in PL time traces. It first decreases with NPL lateral size and then stays constant, deviating from the electric dipole approximation. Analysis of the PL time traces further reveals that the single exciton quantum yield in NPLs decreases with NPL lateral size and increases with protecting shell thickness, indicating the importance of surface passivation on NPL emission quality. Second-order photon correlation (g( 2 )(τ)) studies of single NPLs show that the biexciton quantum yield is strongly dependent on the lateral size and single exciton quantum yield of the NPLs. In large NPLs with unity single exciton quantum yield, the corresponding biexciton quantum yield can reach unity. In conclusion, these findings reveal that by careful growth control and core–shell material engineering, NPLs can be of great potential for light amplification and integrated quantum photonic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum bath augmented stochastic nonequilibrium atomistic simulations for molecular heat conduction

Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential methodological components which are lacking in the quantum Landauer-type transport model, such as many-body full force-field interactions, anharmonicity effects and nonlinear responses for large temperature biases. However, the classical MD reaches its limit in the environments where the quantum effects are significant (e.g. with low-temperatures substrates, presence of extremely high frequency molecular modes). Here, we present an atomistic simulation methodology for molecular heat conduction that incorporates the quantum Bose–Einstein statistics into an “effective temperature” in the form of a modified Langevin equation. We show that the results from such a quasi-classical effective temperature MD method deviates drastically when the baths temperature approaches zero from classical MD simulations and the results converge to the classical ones when the bath approaches the high-temperature limit, which makes the method suitable for full temperature range. In addition, we show that our quasi-classical thermal transport method can be used to model the conducting substrate layout and molecular composition (e.g. anharmonicities, high-frequency modes). Anharmonic models are explicitly simulated via the Morse potential and compared to pure harmonic interactions to show the effects of anharmonicities under quantum colored bath setups. Finally, the chain length dependence of heat conduction is examined for one-dimensional polymer chains placed in between quantum augmented baths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SU-E-T-531: Large--Scale DVH Quality Study: Correlated Aims Lead Relaxations

Purpose: Intensity modulated radiation therapy plans are designed to optimally target a tumor while sparing surrounding tissue. Desired dose distributions are iteratively approached via inverse planning. This leads to tradeoffs between clinical objectives for the planning target volume (PTV), organs at risk, and normal tissues. Dose volume histogram (DVHs) related aims are followed that are either institutional or internationally recommended. We analyze common goals and identify potential reasons that often lead to tradeoffs. Methods: 524 IMRT plans for various tumor sites were analyzed based on the main institutional DVH goal for PTV (D95) and the recommendations by ICRU-83 (D2, D50, and D98). Robust statistical tools are developed and applied to ensure that the results are immune to data uncertainties. The probability of violation was measured for each of the DVH goals based on the frequency of not meeting recommended doses. Conditional probabilities for satisfying and/or violating DVH aims were computed to test the hypothesized pair-wise relations between DVH aims. For example, for plans that satisfied D50, the probability of violating D98 was computed via P(D98 < 95% | 98% ≤ D50 ≤ 102%). The equality constraint D50 = 100% was relaxed to encompass the range [98,102]%. Results: A large majority of cases (88%) satisfied the institutional goal for PTV of D95 ≤ 95%. Similar consensus existed for D98. 51% of cases satisfied D2 ≥ 107%. However, only 18% of cases satisfied D50. The conditional probability showed correlations amongst the studied DVH goals. In fact, a negative correlation was revealed between D50 and D95 (and D98), suggesting that these competing goals cannot be satisfied concurrently. Conclusion: The majority of plans followed the institutional guidelines. The reason for their deviation from international recommendations seems to be that the latter goals are competing and cannot be satisfied concurrently in clinical practice.

60 APPLIED LIFE SCIENCES↗

Automatic Imagery Data Analysis for Proactive Computer-Based Workflow Management during Nuclear Power Plant Outages

This report is being submitted for the task “Final Report” of DOE NEUP Project 15-8121 “Automatic Imagery Data Analysis for Proactive Computer-Based Workflow Management during Nuclear Power Plant Outages.” Typical nuclear power plant (NPP) outages always involve thousands of maintenance and refueling activities and a large number of workers in limited workspaces, while having tight schedules and zero-tolerance for accidents. During an outage, thousands of workers will be working in various workspaces across the NPP. High outage costs and expensive delays (approximately 1.5 million dollars of loss per day of delay) in NPP maintenance demand tight outage schedules. In packed workspaces, an automatic system that monitors human behaviors in real-time and provides insights about current and pending schedule deviations from the plan is critical for ensuring: 1) effective collaboration among workers and worker teams from different trades; 2) less waste of time and resources due to the lack of situational awareness; and 3) proactive outage project control. The overall goal of this project is to test the hypothesis that real-time imagery-based object tracking and spatial analysis, as well as human behavior modeling of outage participants, will significantly improve the efficiency of outage control while lowering the rates of accidents and incidents. Three objectives of this project are: 1) Establish real-time object tracking and spatiotemporal analysis methods that automatically assess the productivity of field activities and detect anomalous spatiotemporal relationships among activities that cause inefficiencies and risks; 2) Establish realtime human tracking and human factor modeling methods for automatically diagnosing unexpected actions of and interactions between outage participants, those which cause inefficient collaborations between Advanced Outage Control Center (AOCC), satellite outage centers, NPP workers, and maintenance service providers; and 3) Test the proposed automated object tracking, human behavior modeling, and spatiotemporal analysis methods in outage control case studies in order to characterize the effectiveness of automated imagery-data-driven methods in proactively improving the efficiency and safety of workflows in outage coordination and risk management. Recent studies of detailed human behavior monitoring on construction sites have examined the potential of applying advanced computer vision algorithms in detecting and tracking anomalous workers (i.e., workers who do not wear hard hats or safety vests) for ensuring job site safety. Some studies of human factor studies revealed the importance of modeling detailed interactions between individuals within and across teams in better understanding the impact of human in proactive project control. Other studies in the construction domain have developed computational simulation frameworks that formalize detailed spatiotemporal interactions between tasks in order to simulate the impacts of individual tasks on the performance of workflows. While integrated analyses that combine human factor assessment, as well as image processing and simulation, are in demand for effective decision-making, limited studies have examined the potential of such integrated analyses in NPP outage control. This research project has examined an automatic outage monitoring and control system that integrates human factor analysis, computer vision techniques, and simulation methods in order to enable engineers to better understand the interactions between humans, resources, and workflows during outage processes. The project aims at providing NPP maintenance agencies insights into more efficient use of limited resources in extending the life of a nuclear plant, as well as reducing waste while ensuring sufficient generation of electricity. This study is significant for the safety of nuclear plants, sustainable electricity generation for livable communities, and cost savings for maintaining electricity infrastructures in the United States.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Wind shear near the ground and aircraft operations.

The variance of wind shear in the first 150-200 m of the atmosphere is a function of the direction of the mean wind relative to the flight path, the zenith angle of the flight path, the standard deviation of the three components of the turbulence velocity vector, the surface friction velocity, the stability properties of the atmospheric boundary layer, and the heights above natural grade of the beginning and end points of the portion of the flight path over which the shear is to be calculated. The results are applied by calculating wind shear for various risks of occurrence assuming wind shear is a Gaussian process, and it is shown that turbulence produces significantly large dispersions in wind shear about the mean wind shear. The results are interpreted in terms of the ICAO interim shear criteria for reporting wind shear in qualitative terms.

Fichtl, G. H.↗

Spacecraft thermal balance testing using infrared sources

A thermal balance test (controlled flux intensity) on a simple black dummy spacecraft using IR lamps was performed and evaluated, the latter being aimed specifically at thermal mathematical model (TMM) verification. For reference purposes the model was also subjected to a solar simulation test (SST). The results show that the temperature distributions measured during IR testing for two different model attitudes under steady state conditions are reproducible with a TMM. The TMM test data correlation is not as accurate for IRT as for SST. Using the standard deviation of the temperature difference distribution (analysis minus test) the SST data correlation is better by a factor of 1.8 to 2.5. The lower figure applies to the measured and the higher to the computer-generated IR flux intensity distribution. Techniques of lamp power control are presented. A continuing work program is described which is aimed at quantifying the differences between solar simulation and infrared techniques for a model representing the thermal radiating surfaces of a large communications spacecraft.

Tan, G. B. T.↗

Static test induced loads verification beyond elastic limit

Increasing demands for reliable and least-cost high-performance aerostructures are pressing design analyses, materials, and manufacturing processes to new and narrowly experienced performance and verification technologies. This study assessed the adequacy of current experimental verification of the traditional binding ultimate safety factor which covers rare events in which no statistical design data exist. Because large high-performance structures are inherently very flexible, boundary rotations and deflections under externally applied loads approaching fracture may distort their transmission and unknowingly accept submarginal structures or prematurely fracturing reliable ones. A technique was developed, using measured strains from back-to-back surface mounted gauges, to analyze, define, and monitor induced moments and plane forces through progressive material changes from total-elastic to total-inelastic zones within the structural element cross section. Deviations from specified test loads are identified by the consecutively changing ratios of moment-to-axial load.

Verderaime, V.↗

Online anomaly detection for multi‐source VMware using a distributed streaming framework

Summary Anomaly detection refers to the identification of patterns in a dataset that do not conform to expected patterns. Such non‐conformant patterns typically correspond to samples of interest and are assigned to different labels in different domains, such as outliers, anomalies, exceptions, and malware. A daunting challenge is to detect anomalies in rapid voluminous streams of data. This paper presents a novel, generic real‐time distributed anomaly detection framework for multi‐source stream data. As a case study, we investigate anomaly detection for a multi‐source VMware‐based cloud data center, which maintains a large number of virtual machines (VMs). This framework continuously monitors VMware performance stream data related to CPU statistics (e.g., load and usage). It collects data simultaneously from all of the VMs connected to the network and notifies the resource manager to reschedule its CPU resources dynamically when it identifies any abnormal behavior from its collected data. A semi‐supervised clustering technique is used to build a model from benign training data only. During testing, if a data instance deviates significantly from the model, then it is flagged as an anomaly. Effective anomaly detection in this case demands a distributed framework with high throughput and low latency. Distributed streaming frameworks like Apache Storm, Apache Spark, S4, and others are designed for a lower data processing time and a higher throughput than standard centralized frameworks. We have experimentally compared the average processing latency of a tuple during clustering and prediction in both Spark and Storm and demonstrated that Spark processes a tuple much quicker than storm on average. Copyright © 2016 John Wiley & Sons, Ltd.

Solaimani, Mohiuddin↗

Search for dark matter in events with energetic, hadronically decaying top quarks and missing transverse momentum at $ \sqrt{s}=13 $ TeV

A search for dark matter is conducted in events with large missing transverse momentum and a hadronically decaying, Lorentz-boosted top quark. This study is performed using proton-proton collisions at a center-of-mass energy of 13 TeV, in data recorded by the CMS detector in 2016 at the LHC, corresponding to an integrated luminosity of 36 fb$^{−1}$. New substructure techniques, including the novel use of energy correlation functions, are utilized to identify the decay products of the top quark. With no significant deviations observed from predictions of the standard model, limits are placed on the production of new heavy bosons coupling to dark matter particles. For a scenario with purely vector-like or purely axial-vector-like flavor changing neutral currents, mediator masses between 0.20 and 1.75 TeV are excluded at 95% confidence level, given a sufficiently small dark matter mass. Scalar resonances decaying into a top quark and a dark matter fermion are excluded for masses below 3.4 TeV, assuming a dark matter mass of 100 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A novel additive manufacturing compression overmolding process for hybrid metal polymer composite structures

Metal polymer composites combining low density, high strength composites with highly ductile and tough metals have gained traction over the last few decades as lightweight and high-performance materials for industrial applications. However, the mechanical properties are limited by the interfacial bonding strength between metals and polymers achieved through adhesives, welding, and surface treatment processes. In this paper, a novel manufacturing process combining additive manufacturing and compression molding to obtain hybrid metal polymer composites with enhanced mechanical properties is presented. Additive manufacturing enabled deposition of polymeric material with fibers in a predetermined pattern to form tailored charge or preform for compression molding. Here, a grade 300 maraging steel triangular lattice is first fabricated using AddUp FormUp350 laser powder bed system and compression overmolded with additively manufactured long carbon fiber-reinforced polyamide-6,6 (40% wt. CF/PA66) preform. The fabricated hybrid metal polymer composites showed high stiffness and tensile strength. The stiffness and failure characteristics determined from the uniaxial tensile tests were correlated to a finite element model within 20% deviation. Fractographic analyses was performed using microscopy to investigate failure mechanisms of the hybrid structures.

36 MATERIALS SCIENCE↗

Preparation and performance study of MgFe{sub 2}O{sub 4}/metal–organic framework composite for rapid removal of organic dyes from water

In present study, a stable and magnetic metal-organic framework (MOF) material was synthesized by simple solvothermal method as adsorbent to rapid removal of two organic dyes, the Rhodamine B (RB) and Rhodamine 6G (Rh6G), in water samples. The prepared material showed great characteristics of large surface area (519.86 m{sup 2} g{sup −1}), excellent magnetic responsivity (35.00 emu g{sup −1}) and rapid removal (within 5 min). Maximum adsorption capacities of the magnetic material toward RB and Rh6G were up to 219.78 and 306.75 mg g{sup −1}, respectively. Adsorption kinetics suggested the adsorption process met the pseudo-second-order kinetic model. The prepared material could be reused at least 10 times by washing with acetonitrile solution, the relative standard deviation (RSD) of these ten cycles removal efficiency was 4.8%. In conclusion, good chemical inertness, a mechanical/water stability and super-hydrophilicity feature made this MOF a promising adsorbent for targets removal from environmental water sample. - Graphical abstract: The magnetic MgFe{sub 2}O{sub 4}/metal–organic framework with ultra-high adsorption capacity towards rhodamine dyes showed rapid removal efficiency (within 5 min) and good reusability (at least 10 times). Display Omitted - Highlights: • A stable and magnetic MgFe{sub 2}O{sub 4}@MOF material was synthesized as adsorbent to rapid removal of organic dyes. • The material in this article could rapidly sequestered rhodamine dyes within 5 min. • The maximum adsorption capacities of the magnetic material were high.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Land‐Atmosphere Responses to a Total Solar Eclipse in Three Ecosystems With Contrasting Structure and Physiology

Abstract Mid‐Missouri experienced up to 2 min 40 s of totality at around solar noon during the total eclipse of 2017. We conducted the Mid‐Missouri Eclipse Meteorology Experiment to examine land‐atmosphere interactions during the eclipse. Here, research examining the eclipse responses in three contrasting ecosystems (forest, prairie, and soybeans) is described. There was variable cloudiness around first and fourth contacts (i.e., the start and end of partial solar obscuration) at the forest and prairie; however, solar irradiance ( K ↓ ) signals during the eclipse were relatively clean. Unfortunately, the eclipse forcing at the soybean field was contaminated by convective activity, which decreased K ↓ beginning about an hour before first contact and exposed the field to cold outflow ~30 min before second contact. Turbulence was suppressed during the eclipse at all sites; however, there was also an amplified signal at the soybean field during the passage of a gust front. The standard deviations of the horizontal and vertical wind velocities and friction velocities decreased by ~75% at the forest (aerodynamically rough), and ~60% at the prairie (aerodynamically smooth). The eddy fluxes of energy were highly coherent with the solar forcing with the latent and sensible heat fluxes approaching 0 W/m 2 and changing in direction, respectively. For the prairie site, we estimated a canopy‐scale time constant for the surface conductance light response of 10 min. Although the eclipse imparted large forcings on surface energy balances, the air temperature response was relatively muted (1.5–2.5 °C decrease) due to the absence of topographic effects and the relatively moist land and atmosphere.

Wood, J. D.↗

Subseasonal Tropical Cyclone Prediction and Modulations by MJO and ENSO in CESM2

Subseasonal tropical cyclone (TC) reforecasts from the Community Earth System Model version 2 (CAM6) subseasonal prediction system are examined in this study. Here, we evaluate the modeled TC climatology and the probabilistic forecast skill of basin-wide TC genesis at weekly temporal resolution. Prediction skill is calculated using the Brier skill score relative to a constant annual mean climatology and to a monthly varying seasonal climatology during TC season. The model captures the observed basin-wide climatological TC seasonality and spatial distributions at weeks 1–6, but TC genesis is largely underestimated from Week 2 onward. For some basins and lead times, the predicted TC genesis is primarily controlled by the number of TC “seeds” and the mean-state climate condition. The model has good prediction skill relative to the constant climatology across all the basins and lead times, but is only skillful in the eastern Pacific, North Indian Ocean, and Southern Hemisphere at Week 1 when compared to the seasonal climatology, indicating limited skill in predicting deviations from the seasonal cycle. We find strong modulations of the predicted TC genesis at up to 3 weeks of forecast lead time by the Madden-Julian Oscillation. The interannual variability of predicted TC genesis and accumulated cyclone energy are skillfully predicted in the North Atlantic and the Northwestern Pacific, with a strong modulation by the El Nino-Southern Oscillation.

54 ENVIRONMENTAL SCIENCES↗

Cosmology in general massive gravity theories

We study the cosmological FRW flat solutions generated in general massive gravity theories. Such a model are obtained adding to the Einstein General Relativity action a peculiar non derivative potentials, function of the metric components, that induce the propagation of five gravitational degrees of freedom. This large class of theories includes both the case with a residual Lorentz invariance as well as the case with rotational invariance only. It turns out that the Lorentz-breaking case is selected as the only possibility. Moreover it turns out that that perturbations around strict Minkowski or dS space are strongly coupled. The upshot is that even though dark energy can be simply accounted by massive gravity modifications, its equation of state w{sub eff} has to deviate from -1. Indeed, there is an explicit relation between the strong coupling scale of perturbations and the deviation of w{sub eff} from -1. Taking into account current limits on w{sub eff} and submillimiter tests of the Newton's law as a limit on the possible strong coupling scale, we find that it is still possible to have a weakly coupled theory in a quasi dS background. Future experimental improvements on short distance tests of the Newton's law may be used to tighten the deviation of w{sub eff} form -1 in a weakly coupled massive gravity theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Automated Clean Chemistry for Bulk Analysis of Environmental Swipe Samples – Final Report

Sample preparation methods for mass spectrometry are being automated using commercial-off-the-shelf (COTS) equipment to shorten lengthy and costly manual chemical purification procedures. This development addresses a serious need in the International Atomic Energy Agency’s (IAEA) Network of Analytical Laboratories (NWAL) to increase efficiency in the Bulk Analysis of Environmental Samples for Safeguards program with a method that allows unattended, overnight operation. In collaboration with Elemental Scientific Inc. (ESI), the prepFAST-MC2 was designed based on COTS equipment. It was modified for uranium/plutonium separations using renewable columns packed with Eichrom TEVA® and UTEVA® resins, with a chemical separation method based on the Oak Ridge National Laboratory (ORNL) NWAL chemical procedure. Initial verification of individual columns yielded small elution volumes with consistent elution profiles and good recovery. Combined column calibration demonstrated ample separation without crosscontamination of the eluent. Automated packing and unpacking of the built-in columns initially showed >15% deviation in resin loading by weight, which can lead to inconsistent separations. Optimization of the packing and unpacking methods led to a reduction in the variability of the packed resin to less than 5% daily. Based on the initial experience at ORNL with the prepFAST-MC2, a second-generation model, the prepFAST-SR, was built by ESI. The newly designed prepFAST-SR has several upgrades compared with the original prepFAST-MC2. The upgrades largely addressed issues with the reliability of unpacking the Eichrom columns and with ventilation to ensure adequate removal of acid vapors. Both systems are currently installed in the Ultra-Trace Forensics Science Center at ORNL. Separations of mixed uranium and plutonium samples containing certified reference materials were analyzed by multi-collector inductively coupled plasma mass spectrometry and yielded good results. Current efforts have demonstrated a wider applicability of the prepFAST system. Near-quantitative removal of metal interferences was achieved with the system in both uranium and plutonium separated fractions. Successful system validation was completed with several archived samples. Isotopic results from archived samples and certified reference materials were well within data quality limits for the IAEA NWAL. Additional COTS equipment has been evaluated for its potential to aid the prepFAST-SR system in reducing the time allotments and cleanroom infrastructure requirements for accurate separations. Overall, these efforts help ensure continued efficient and effective operation of the NWAL. Comparison of the amount of personnel time necessary for successful manual vs. automated chemical separations showed a significant decrease in hands-on time from 9.8 hours to 35 minutes for seven samples, respectively. This documented time savings and reduced labor translates to a significant cost savings per sample. Overall, the system will enable faster sample reporting times at reduced cost by limiting personnel hours dedicated to the chemical separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Kinetics of the reaction OH + HO2 yields H2O + O2 from 254 to 382 K

The discharge-flow resonance fluorescence technique has been used to determine the absolute rate constant for the reaction OH + HO2 yields H2O + O2 from 254 to 382 K at a total pressure of 1 Torr. Pseudo-=first-order conditions were used with HO2 in large excess over OH. The rate constant was obtained directly from observed decays of OH and measured concentrations of HO2. Since the observed rate constant was found to be very sensitive to small background concentrations of O and H atoms, NO2 was used to remove both atom species from the system. With added NO2 the result at 299 K is (1.1 + or - 0.3) x 10 to the -10th cu cm/molecule where the error limits are one standard deviation and include an estimate of overall experimental uncertainty. The temperature dependence expressed in Arrhenius form is (4.8 + or - 0.8) x 10 to the -11th exp (250 + or - 50)/T. The results are independent of the type of reactor surface and the precursor used to produce OH and HO2. The present results agree well with earlier measurements near 1-atm total pressure and suggest that this rate constant exhibits little or no pressure dependence between 1 and 1000 Torr.

Keyser, Leon F.↗

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.↗