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At least 235 records · Page 13

BASS. XXXIII. Swift-BAT Blazars and Their Jets through Cosmic Time

We derive the most up-to-date Swift-Burst Alert Telescope (BAT) blazar luminosity function in the 14–195 keV range, making use of a clean sample of 118 blazars detected in the BAT 105 month survey catalog, with newly obtained redshifts from the BAT Active Galatic Nucleus Spectroscopic Survey. We determine the best-fit X-ray luminosity function for the whole blazar population, as well as for flat-spectrum radio quasars (FSRQs) alone. The main results are: (1) at any redshift, BAT detects the most luminous blazars, above any possible break in their luminosity distribution, which means we cannot differentiate between density and luminosity evolution; (2) the whole blazar population, dominated by FSRQs, evolves positively up to redshift z ~ 4.3, confirming earlier results and implying lower number densities of blazars at higher redshifts than previously estimated. The contribution of this source class to the cosmic X-ray background at 14–195 keV can range from 5%–18%, while possibly accounting for 100% of the MeV background. We also derived the average 14 keV–10 GeV spectral energy distribution for BAT blazars, which allows us to predict the number counts of sources in the MeV range, as well as the expected number of high-energy (>100 TeV) neutrinos. A mission like COSI will detect 40 MeV blazars, of which two may have coincident neutrino detections. Finally, taking into account beaming selection effects, the distribution and properties of the parent population of these extragalactic jets are derived. We find that the distribution of viewing angles is quite narrow, with most sources aligned within <5° of the line of sight. Moreover, the average Lorentz factor, $\langle$Γ$\rangle$ = 8–12, is lower than previously suggested for these powerful sources.

79 ASTRONOMY AND ASTROPHYSICS↗

Distributed feedback modes in a partially filled ring cavity

The threshold longitudinal modes of a structure composed of a ring cavity partially filled with a distributed feedback (DFB) medium have been studied. An eigenvalue equation and dispersion relation for the propagation constant, threshold gain, and mode location are derived and numerically solved for a number of cases. It is shown that the incommensurate nature of the unfilled ring cavity eigenfrequencies and DFB eigenfrequencies can lead to an enhancement of the frequency selectivity of the distributed feedback laser. The analysis is extended to consider finite linewidth and dispersion.

Rabinovich, William S.↗

SMARTER Rules-Based Distributed Deconfliction of ADMS Applications

A conceptual numerical methodology derived from Grid Architecture principles is introduced for deconflicting setpoints issued by multiple advanced distribution management system applications. The methodology applies technical, economic, environmental, and social rules to eliminate non-viable combinations. The concept of temporal equipment controls budgets is introduced to preserve the health of physical assets and avoid equipment damage through repeated controls cycling. The rules are combined with a multi-criteria decision-making framework to select a near-optimal set of deconflicted setpoints using a set of qualitative and quantitative decision criteria selected by the distribution system operator. Numerical results are demonstrated on the IEEE 123-bus test feeder for three competing applications. Three alternative distributed schemes are used to decompose the problem: by topological area, by phase, and fully decentralized. The fully decentralized implementation is shown to yield near-optimal deconfliction results with significantly reduced computational time.

Anderson, Alexander A.↗

Effects of Particle Size Distribution with Efficient Packing on Powder Flowability and Selective Laser Melting Process

The powder bed-based additive manufacturing (AM) process contains uncertainties in the powder spreading process and powder bed quality, leading to problems in repeatability and quality of the additively manufactured parts. This work focuses on identifying the uncertainty induced by particle size distribution (PSD) on powder flowability and the laser melting process, using Ti6Al4V as a model material. The flowability test results show that the effect of PSDs on flowability is not linear, rather the PSDs near dense packing ratios cause significant reductions in flowability (indicated by the increase in the avalanche angle and break energy of the powders measured by a revolution powder analyzer). The effects of PSDs on the selective laser melting (SLM) process are identified by using in-situ high-speed X-ray imaging to observe the melt pool dynamics during the melting process. The results show that the powder beds made of powders with dense packing ratios exhibit larger build height during laser melting. The effects of PSD with efficient packing on powder flowability and selective laser melting process revealed in this work are important for understanding process uncertainties induced by feedstock powders and for designing mitigation approaches.

36 MATERIALS SCIENCE↗

Uncertainty Models for the Hybrid Parametric Variation Method of Uncertainty Quantification; Analysis

There is some level of uncertainty in every finite element model (FEM), which flows to a level of uncertainty in predicted results. The purpose of uncertainty quantification (UQ) is to provide statistical bounds on prediction accuracy based on model uncertainty. This is distinct from model updating, which attempts to modify models to improve their accuracy. UQ does not improve the accuracy of models, but accepts that the models are inherently inaccurate and attempts to quantify the impact of that inaccuracy on predicted results. Previously, an alternate method for UQ, called the Hybrid Parametric Variation (HPV) method, was applied to Space Launch System (SLS) Hurty/Craig-Bampton (HCB) components to predict system-level statistics for launch vehicle attitude control transfer functions and core stage section loads due to buffet. The HPV method combines a parametric variation of the HCB fixed-interface (FI) modal frequencies with a nonparametric variation (NPV) method that randomly varies the HCB mass and stiffness matrices as Wishart random matrix distributions using random matrix theory (RMT). Alternatively, the most common method for modeling uncertainty in the structural dynamics community is a parametric approach, which varies physical parameters in the model. However, there are several disadvantages associated with the parametric method. Determining a reduced set of parameters that have a significant impact on the system response can be time consuming, and the selected parameter probability distributions are rarely reliably known. Therefore, in practice, the parameters are surrogates for the actual errors, and the link to parameter uncertainty is unknown. Another major drawback is that the uncertainty that can be represented is limited to the form of the nominal FEM. It is the experience of the authors that based on numerous aerospace programs, almost all FEM errors are in form rather than parameter values. This hypothesis is supported by the observation of the authors that it is almost never possible to ‘tune’ a FEM to match modal test results by only modifying model parameters. Model-form uncertainty cannot be directly represented by FEM input parameters nor included in a parametric approach. However, model-form uncertainty can be modeled using RMT, where a probability distribution is developed for the matrix ensemble of interest. The major advantage of the NPV method is that it covers errors in model form. The HPV method anchors uncertainty at the HCB component level to component modal test results by matching the HCB and test modes based on mode descriptions or other methods, and then applying differing levels of frequency variation. The specific variations depend on the confidence to which a component FEM has been validated through modal testing. The NPV method is layered on the frequency variation to match modal test self-orthogonality and cross-orthogonality (XO) results. Once the component uncertainty models are identified, they are assembled, and the uncertainty is propagated to the system level using a Monte Carlo (MC) analysis approach that generates statistics for system-level predictions This provides a UQ method that can be traced to test data, which can be updated as additional data and improved correlated models become available. The purpose of this paper is to collect and present all of the theory for HPV that has been previously published in reports and papers and to present examples of its application. Specifically, component uncertainty models based on the dispersion of corresponding mass and stiffness matrices using proposed test/analysis correlation metrics are investigated. The first example is purely academic so that the true answers are known, and the validity of the HPV method and the corresponding uncertainty models can be determined. The purpose of this paper is to collect and present all of the theory for HPV that has been previously published in reports and papers and to present examples of its application. Specifically, component uncertainty models based on the dispersion of corresponding mass and stiffness matrices using proposed test/analysis correlation metrics are investigated. The first example is purely academic so that the true answers are known, and the validity of the HPV method and the corresponding uncertainty models can be determined. The second example is an application to a component that is design specific to the SLS. Based on this work and other assessments, the HPV method provides another tool to the toolset used for complex system UQ analysis. From experience gathered to date using the HPV method, additional design specific applications must be investigated to provide further confidence in the validity of the HPV method of UQ analysis.

Uncertainty quantification↗

Determination of statistics for any rotation of axes of a bivariate normal elliptical distribution

Transformation of statistics from a dimensional set to another dimensional set involves linear functions of the original set of statistics. Similarly, linear functions will transform statistics within a dimensional set such that the new statistics are relevant to a new set of coordinate axes. A restricted case of the latter is the rotation of axes in a coordinate system involving any two correlated random variables. A special case is the transformation for horizontal wind distributions. Wind statistics are usually provided in terms of wind speed and direction (measured clockwise from north) or in east-west and north-south components. A direct application of this technique allows the determination of appropriate wind statistics parallel and normal to any preselected flight path of a space vehicle. Among the constraints for launching space vehicles are critical values selected from the distribution of the expected winds parallel to and normal to the flight path. These procedures are applied to space vehicle launches at Cape Kennedy, Florida.

Falls, L. W.↗

Robotic path-finding in inverse treatment planning for stereotactic radiosurgery with continuous dose delivery

Purpose: Continuous dose delivery in radiation therapy treatments has been shown to decrease total treatment time while improving the dose conformity and distribution homogeneity over the conventional step-and-shoot approach. The authors develop an inverse treatment planning method for Gamma Knife® Perfexion™ that continuously delivers dose along a path in the target. Methods: The authors’ method is comprised of two steps: find a path within the target, then solve a mixed integer optimization model to find the optimal collimator configurations and durations along the selected path. Robotic path-finding techniques, specifically, simultaneous localization and mapping (SLAM) using an extended Kalman filter, are used to obtain a path that travels sufficiently close to selected isocentre locations. SLAM is novelly extended to explore a 3D, discrete environment, which is the target discretized into voxels. Further novel extensions are incorporated into the steering mechanism to account for target geometry. Results: The SLAM method was tested on seven clinical cases and compared to clinical, Hamiltonian path continuous delivery, and inverse step-and-shoot treatment plans. The SLAM approach improved dose metrics compared to the clinical plans and Hamiltonian path continuous delivery plans. Beam-on times improved over clinical plans, and had mixed performance compared to Hamiltonian path continuous plans. The SLAM method is also shown to be robust to path selection inaccuracies, isocentre selection, and dose distribution. Conclusions: The SLAM method for continuous delivery provides decreased total treatment time and increased treatment quality compared to both clinical and inverse step-and-shoot plans, and outperforms existing path methods in treatment quality. It also accounts for uncertainty in treatment planning by accommodating inaccuracies.

60 APPLIED LIFE SCIENCES↗

THE REDSHIFT DISTRIBUTION OF DUSTY STAR-FORMING GALAXIES FROM THE SPT SURVEY

We use the Atacama Large Millimeter/submillimeter Array (ALMA) in Cycle 1 to determine spectroscopic redshifts of high-redshift dusty star-forming galaxies (DSFGs) selected by their 1.4 mm continuum emission in the South Pole Telescope (SPT) survey. We present ALMA 3 mm spectral scans between 84 and 114 GHz for 15 galaxies and targeted ALMA 1 mm observations for an additional eight sources. Our observations yield 30 new line detections from CO, [C i], [N ii], H{sub 2}O and NH{sub 3}. We further present Atacama Pathfinder Experiment [C ii] and CO mid- J observations for seven sources for which only a single line was detected in spectral-scan data from ALMA Cycle 0 or Cycle 1. We combine the new observations with previously published and new millimeter/submillimeter line and photometric data of the SPT-selected DSFGs to study their redshift distribution. The combined data yield 39 spectroscopic redshifts from molecular lines, a success rate of >85%. Our sample represents the largest data set of its kind today and has the highest spectroscopic completeness among all redshift surveys of high- z DSFGs. The median of the redshift distribution is z = 3.9 ± 0.4, and the highest-redshift source in our sample is at z = 5.8. We discuss how the selection of our sources affects the redshift distribution, focusing on source brightness, selection wavelength, and strong gravitational lensing. We correct for the effect of gravitational lensing and find the redshift distribution for 1.4 mm selected sources with a median redshift of z = 3.1 ± 0.3. Comparing to redshift distributions selected at shorter wavelengths from the literature, we show that selection wavelength affects the shape of the redshift distribution.

79 ASTRONOMY AND ASTROPHYSICS↗

Photometric Studies of GEO Orbital Debris

The photometric signature of a debris object can be useful in determining what the physical characteristics of a piece of debris are. We report on optical observations in multiple filters of debris at geosynchronous Earth orbit (GEO). Our sample is taken from GEO objects discovered in a survey with the University of Michigan's 0.6-m aperture Schmidt telescope MODEST (for Michigan Orbital DEbris Survey Telescope), and then followed up in real-time with the Cerro Tololo Inter- American Observatory (CTIO) 0.9-m for orbits and photometry. Our goal is to determine 6 parameter orbits and measure colors for all objects fainter than R=15th magnitude that are discovered in the MODEST survey. At this magnitude the distribution of observed angular rates changes significantly from that of brighter objects. There are two objectives: 1. Estimate the orbital distribution of objects selected on the basis of two observational criteria: brightness (magnitude) and angular rates. 2. Obtain magnitudes and colors in standard astronomical filters (BVRI) for comparison with reflectance spectra of likely spacecraft materials. What is the faint debris likely to be? More than 90 calibrated sequences of R-B-V-I-R magnitudes for a sample of 50 objects have been obtained with the CTIO 0.9-m. For objects that do not show large brightness variations, the colors are largely redder than solar in both B-R and R-I. The width of the color distribution may be intrinsic to the nature of the surfaces, but also could be that we are seeing irregularly shaped objects and measuring the colors at different times with just one telescope. For a smaller sample of objects we have observed with synchronized CCD cameras on the two telescopes. The CTIO 0.9-m observes in B, and MODEST in R. The CCD cameras are electronically linked together so that the start time and duration of observations are the same to better than 50 milliseconds. Thus the B-R color is a true measure of the surface of the debris piece facing the telescopes for that observation. Any change in color reflects a real change in the debris surface. We will compare our observations with models and laboratory measurements of selected surfaces.

Seitzer, Patrick↗

"A Richness Study of 14 Distant X-Ray Clusters from the 160 Square Degree Survey"

We have measured the surface density of galaxies toward 14 X-ray-selected cluster candidates at redshifts z(sub i) 0.46, and we show that they are associated with rich galaxy concentrations. These clusters, having X-ray luminosities of Lx(0.5-2 keV) approx. (0.5 - 2.6) x 10(exp 44) ergs/ sec are among the most distant and luminous in our 160 deg(exp 2) ROSAT Position Sensitive Proportional Counter cluster survey. We find that the clusters range between Abell richness classes 0 and 2 and have a most probable richness class of 1. We compare the richness distribution of our distant clusters to those for three samples of nearby clusters with similar X-ray luminosities. We find that the nearby and distant samples have similar richness distributions, which shows that clusters have apparently not evolved substantially in richness since redshift z=0.5. There is, however, a marginal tendency for the distant clusters to be slightly poorer than nearby clusters, although deeper multicolor data for a large sample would be required to confirm this trend. We compare the distribution of distant X-ray clusters in the L(sub X)-richness plane to the distribution of optically selected clusters from the Palomar Distant Cluster Survey. The optically selected clusters appear overly rich for their X-ray luminosities, when compared to X-ray-selected clusters. Apparently, X-ray and optical surveys do not necessarily sample identical mass concentrations at large redshifts. This may indicate the existence of a population of optically rich clusters with anomalously low X-ray emission, More likely, however, it reflects the tendency for optical surveys to select unvirialized mass concentrations, as might be expected when peering along large-scale filaments.

Jones, Christine↗

Target Selection and Validation of DESI Emission Line Galaxies

The Dark Energy Spectroscopic Instrument (DESI) will precisely constrain cosmic expansion and the growth of structure by collecting ~40 million extragalactic redshifts across ~80% of cosmic history and one-third of the sky. The Emission Line galaxy (ELG) sample, which will comprise about one-third of all DESI tracers, will be used to probe the universe over the 0.6 < z < 1.6 range, including the 1.1 < z < 1.6 range, which is expected to provide the tightest constraints. We present the target selection for the DESI Survey Validation (SV) and Main Survey ELG samples, which relies on the imaging of the Legacy Surveys. The Main ELG selection consists of a g-band magnitude cut and a (g – r) versus (r – z) color box, while the SV selection explores extensions of the Main selection boundaries. The Main ELG sample is composed of two disjoint subsamples, which have target densities of about 1940 deg –2 and 460 deg –2 , respectively. We first characterize their photometric properties and density variations across the footprint. We then analyze the DESI spectroscopic data that have been obtained from 2020 December to 2021 December in the SV and Main Survey. We establish a preliminary criterion for selecting reliable redshifts, based on the [O ιι] flux measurement, and assess its performance. Using this criterion, we are able to present the spectroscopic efficiency of the Main ELG selection, along with its redshift distribution. We thus demonstrate that the Main selection 1940 deg –2 subsample alone should provide 400 deg –2 and 460 deg –2 reliable redshifts in the 0.6 < z < 1.1 and the 1.1 < z < 1.6 ranges, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

Direct control of the grid point distribution in meshes generated by elliptic equations

The generation of computational grids suitable for obtaining accurate numerical solutions to the three-dimensional Navier-Stokes equations is the subject of intensive research. For a wide class of nozzle configurations, a three-dimensional grid can be constructed by a sequence of two-dimensional grids in successive cross-sectional planes. The present paper is concerned with numerical generation of two-dimensional grids. An effective method of interior grid control is presented based on a modified elliptic system containing free parameters. For a simply connected region, the free parameters are computed from the Dirichlet boundary values. The resulting interior grid point distribution is controlled entirely by a priori selection of the grid point distribution along the boundaries of the section.

Middlecoff, J. F.↗

SU-F-T-592: A Delivery QA-Free Approach for Adaptive Therapy of Prostate Cancer with Static Intensity Modulated Radiotherapy

Purpose: Clinical implementations of adaptive radiotherapy (ART) are limited mainly by the requirement of delivery QA (DQA) prior to the treatment. Small segment size and small segment MU are two dominant factors causing failures of DQA. The aim of this project is to explore the feasibility of ART treatment without DQA by using a partial optimization approach. Methods: A retrospective simulation study was performed on two prostate cancer patients treated with SMLC-IMRT. The prescription was 180cGx25 fractions with daily CT-on-rail imaging for target alignment. For each patient, seven daily CTs were selected randomly across treatment course. The contours were deformablely transferred from the simulation CT onto the daily CTs and modified appropriately. For each selected treatment, dose distributions from original beams were calculated on the daily treatment CTs (DCT plan). An ART plan was also created by optimizing the segmental MU only, while the segment shapes were preserved and the minimum MU constraint was respected. The overlaps, between PTV and the rectum, between PTV and the bladder, were normalized by the PTV volume. This ratio was used to characterize the difficulty of organs-at-risk (OAR) sparing. Results: Comparing to the original plan, PTV coverage was compromised significantly in DCT plans (82% ± 7%) while all ART plans preserved PTV coverage. ART plans showed similar OAR sparing as the original plan, such as V40Gy=11.2cc (ART) vs 11.4cc (original) for the rectum and D10cc=4580cGy vs 4605cGy for the bladder. The sparing of the rectum/bladder depends on overlap ratios. The sparing in ART was either similar or improved when overlap ratios in treatment CTs were smaller than those in original plan. Conclusion: A partial optimization method is developed that may make the real-time ART feasible on selected patients. Future research is warranted to quantify the applicability of the proposed method.

60 APPLIED LIFE SCIENCES↗

Photometric Studies of GEO Debris

The photometric signature of a debris object can be useful in determining what the physical characteristics of a piece of debris are. We report on optical observations in multiple filters of debris at geosynchronous Earth orbit (GEO). Our sample is taken from GEO objects discovered in a survey with the University of Michigan's 0.6-m aperture Schmidt telescope MODEST (for Michigan Orbital DEbris Survey Telescope), and then followed up in real-time with the SMARTS (Small and Medium Aperture Research Telescope System) 0.9-m at CTIO for orbits and photometry. Our goal is to determine 6 parameter orbits and measure colors for all objects fainter than R = 15 th magnitude that are discovered in the MODEST survey. At this magnitude the distribution of observed angular rates changes significantly from that of brighter objects. There are two objectives: 1. Estimate the orbital distribution of objects selected on the basis of two observational criteria: brightness (magnitude) and angular rates. 2. Obtain magnitudes and colors in standard astronomical filters (BVRI) for comparison with reflectance spectra of likely spacecraft materials. What is the faint debris likely to be? In this paper we report on the photometric results. For a sample of 50 objects, more than 90 calibrated sequences of R-B-V-I-R magnitudes have been obtained with the CTIO 0.9-m. For objects that do not show large brightness variations, the colors are largely redder than solar in both B-R and R-I. The width of the color distribution may be intrinsic to the nature of the surfaces, but also could be that we are seeing irregularly shaped objects and measuring the colors at different times with just one telescope. For a smaller sample of objects we have observed with synchronized CCD cameras on the two telescopes. The CTIO 0.9-m observes in B, and MODEST in R. The CCD cameras are electronically linked together so that the start time and duration of observations are the same to better than 50 milliseconds. Thus the B-R color is a true measure of the surface of the debris piece facing the telescopes for that observation. Any change in color reflects a real change in the debris surface.

Seitzer, Patrick↗

Quantum frequency processor for provable cybersecurity

Methods of quantum key distribution include receiving a frequency bin photon at a location, selecting a frequency bin photon quantum key distribution measurement basis, with a quantum frequency processor, performing a measurement basis transformation on the received frequency bin photon so that the frequency bin photon is measurable in the selected frequency bin photon quantum key distribution measurement basis, and detecting the frequency bin photon in the selected quantum key distribution measurement basis and assigning a quantum key distribution key value based on the detection to a portion of a quantum key distribution key. Apparatus and methods for encoding, decoding, transmitting, and receiving frequency bin photons are disclosed.

Lukens, Joseph M.↗

Quantum frequency processor for provable cybersecurity

Methods of quantum key distribution include receiving a frequency bin photon at a location, selecting a frequency bin photon quantum key distribution measurement basis, with a quantum frequency processor, performing a measurement basis transformation on the received frequency bin photon so that the frequency bin photon is measurable in the selected frequency bin photon quantum key distribution measurement basis, and detecting the frequency bin photon in the selected quantum key distribution measurement basis and assigning a quantum key distribution key value based on the detection to a portion of a quantum key distribution key. Apparatus and methods for encoding, decoding, transmitting, and receiving frequency bin photons are disclosed.

Lukens, Joseph M.↗

Adsorption of furan, hexanoic acid, and alkanes in a hierarchical zeolite at reaction conditions: Insights from molecular simulations

Hierarchical zeolites containing both micropores and mesopores are valuable catalysts for facilitating reactions of large molecules. Furan acylation by fatty acids is a promising reaction for valorizing biomass, and the self-pillared pentasil (SPP) zeolite was found to perform particularly well for this reaction. To better understand the distribution of molecules in hierarchical zeolites at the elevated temperature (T = 523 K) and the elevated pressure (p >1 bar) associated with typical reaction conditions, unary and binary adsorption were predicted using Monte Carlo simulations in the isothermal–isobaric Gibbs ensemble. Adsorption of six species (furan, hexanoic acid, -hexane, -decane, -tetradecane, and 3,6-diethyloctane) was investigated from vapor, liquid, and supercritical phases, and loadings into the micropores, onto the mesopore surface, and in the mesopore interior of SPP were obtained. As pressure increases, -alkanes fill the micropores before loading the surface and then the interior of the mesopore, while furan and hexanoic acid adsorb strongly to the mesopore surface due to hydrogen bonding interactions with surface silanols. Hydrogen bonding interactions also draw hexanoic acid molecules in the micropore region toward the pore mouths, so their carboxylic acid group forms H-bonds with silanols, while the alkyl tails interact with the micropore walls. Mesopore condensation is observed for molecules below their critical point, and occurs when the Gibbs free energy of transfer into the mesopore interior and onto the mesopore surface converge. When hexanoic acid adsorption occurs in the presence of alkane solvents, then the selectivity and spatial distribution of hexanoic acid in the micropores and on the surface can be tuned by adjusting the fluid pressure and the alkane length and/or branching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A critical appraisal of the zero-multipole method: Structural, thermodynamic, dielectric, and dynamical properties of a water system

We performed extensive and strict tests for the reliability of the zero-multipole (summation) method (ZMM), which is a method for estimating the electrostatic interactions among charged particles in a classical physical system, by investigating a set of various physical quantities. This set covers a broad range of water properties, including the thermodynamic properties (pressure, excess chemical potential, constant volume/pressure heat capacity, isothermal compressibility, and thermal expansion coefficient), dielectric properties (dielectric constant and Kirkwood-G factor), dynamical properties (diffusion constant and viscosity), and the structural property (radial distribution function). We selected a bulk water system, the most important solvent, and applied the widely used TIP3P model to this test. In result, the ZMM works well for almost all cases, compared with the smooth particle mesh Ewald (SPME) method that was carefully optimized. In particular, at cut-off radius of 1.2 nm, the recommended choices of ZMM parameters for the TIP3P system are α ≤ 1 nm{sup −1} for the splitting parameter and l = 2 or l = 3 for the order of the multipole moment. We discussed the origin of the deviations of the ZMM and found that they are intimately related to the deviations of the equilibrated densities between the ZMM and SPME, while the magnitude of the density deviations is very small.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗