Edwards Air Force Base

Abstract A description of the ab initio quantum chemistry package GAMESS is presented. Chemical systems containing atoms through radon can be treated with wave functions ranging from the simplest closed‐shell case up to a general MCSCF case, permitting calculations at the necessary level of sophistication. Emphasis is given to novel features of the program. The parallelization strategy used in the RHF, ROHF, UHF, and GVB sections of the program is described, and detailed speecup results are given. Parallel calculations can be run on ordinary workstations as well as dedicated parallel machines. © John Wiley & Sons, Inc.

Understanding the complementary roles of surface energy and roughness on natural nonwetting surfaces has led to the development of a number of biomimetic superhydrophobic surfaces, which exhibit apparent contact angles with water greater than 150 degrees and low contact angle hysteresis. However, superoleophobic surfaces-those that display contact angles greater than 150 degrees with organic liquids having appreciably lower surface tensions than that of water-are extremely rare. Calculations suggest that creating such a surface would require a surface energy lower than that of any known material. We show how a third factor, re-entrant surface curvature, in conjunction with chemical composition and roughened texture, can be used to design surfaces that display extreme resistance to wetting from a number of liquids with low surface tension, including alkanes such as decane and octane.

Superhydrophobic surfaces display water contact angles greater than 150 degrees in conjunction with low contact angle hysteresis. Microscopic pockets of air trapped beneath the water droplets placed on these surfaces lead to a composite solid-liquid-air interface in thermodynamic equilibrium. Previous experimental and theoretical studies suggest that it may not be possible to form similar fully-equilibrated, composite interfaces with drops of liquids, such as alkanes or alcohols, that possess significantly lower surface tension than water (gamma(lv) = 72.1 mN/m). In this work we develop surfaces possessing re-entrant texture that can support strongly metastable composite solid-liquid-air interfaces, even with very low surface tension liquids such as pentane (gamma(lv) = 15.7 mN/m). Furthermore, we propose four design parameters that predict the measured contact angles for a liquid droplet on a textured surface, as well as the robustness of the composite interface, based on the properties of the solid surface and the contacting liquid. These design parameters allow us to produce two different families of re-entrant surfaces- randomly-deposited electrospun fiber mats and precisely fabricated microhoodoo surfaces-that can each support a robust composite interface with essentially any liquid. These omniphobic surfaces display contact angles greater than 150 degrees and low contact angle hysteresis with both polar and nonpolar liquids possessing a wide range of surface tensions.

Reliable, precise and accurate estimates of disease severity are important for predicting yield loss, monitoring and forecasting epidemics, for assessing crop germplasm for disease resistance, and for understanding fundamental biological processes including co-evolution. Disease assessments that are inaccurate and/or imprecise might lead to faulty conclusions being drawn from the data, which in turn can lead to incorrect actions being taken in disease management decisions. Plant disease can be quantified in several different ways. This review considers plant disease severity assessment at the scale of individual plant parts or plants, and describes our current understanding of the sources and causes of assessment error, a better understanding of which is required before improvements can be targeted. The review also considers how these can be identified using various statistical tools. Indeed, great strides have been made in the last thirty years in identifying the sources of assessment error inherent to visual rating, and this review highlights ways that assessment errors can be reduced—particularly by training raters or using assessment aids. Lesion number in relation to area infected is known to influence accuracy and precision of visual estimates—the greater the number of lesions for a given area infected results in more overestimation. Furthermore, there is a widespread tendency to overestimate disease severity at low severities (<10%). Both interrater and intrarater reliability can be variable, particularly if training or rating aids are not used. During the last eighty years acceptable accuracy and precision of visual disease assessments have often been achieved using disease scales, particularly because of the time they allegedly save, and the ease with which they can be learned, but recent work suggests there can be some disadvantages to their use. This review considers new technologies that offer opportunity to assess disease with greater objectivity (reliability, precision, and accuracy). One of these, visible light photography and digital image analysis has been increasingly used over the last thirty years, as software has become more sophisticated and user-friendly. Indeed, some studies have produced very accurate estimates of disease using image analysis. In contrast, hyperspectral imagery is relatively recent and has not been widely applied in plant pathology. Nonetheless, it offers interesting and potentially discerning opportunities to assess disease. As plant disease assessment becomes better understood, it is against the backdrop of concepts of reliability, precision and accuracy (and agreement) in plant pathology and measurement science. This review briefly describes these concepts in relation to plant disease assessment. Various advantages and disadvantages of the different approaches to disease assessment are described. For each assessment method some future research priorities are identified that would be of value in better understanding the theory of disease assessment, as it applies to improving and fully realizing the potential of image analysis and hyperspectral imagery.

Ice formation and accretion may hinder the operation of many systems critical to national infrastructure, including airplanes, power lines, windmills, ships, and telecommunications equipment. Yet despite the pervasiveness of the icing problem, the fundamentals of ice adhesion have received relatively little attention in the scientific literature and it is not widely understood which attributes must be tuned to systematically design "icephobic" surfaces that are resistant to icing. Here we probe the relationships between advancing/receding water contact angles and the strength of ice adhesion to bare steel and twenty-one different test coatings (∼200-300 nm thick) applied to the nominally smooth steel discs. Contact angles are measured using a commercially available goniometer, whereas the average strengths of ice adhesion are evaluated with a custom-built laboratory-scale adhesion apparatus. The coatings investigated comprise commercially available polymers and fluorinated polyhedral oligomeric silsesquioxane (fluorodecyl POSS), a low-surface-energy additive known to enhance liquid repellency. Ice adhesion strength correlates strongly with the practical work of adhesion required to remove a liquid water drop from each test surface (i.e., with the quantity [1 + cos θ(rec)]), and the average strength of ice adhesion was reduced by as much as a factor of 4.2 when bare steel discs were coated with fluorodecyl POSS-containing materials. We argue that any further appreciable reduction in ice adhesion strength will require textured surfaces, as no known materials exhibit receding water contact angles on smooth/flat surfaces that are significantly above those reported here (i.e., the values of [1 + cos θ(rec)] reported here have essentially reached a minimum for known materials).

Ice accretion has a negative impact on critical infrastructure, as well as a range of commercial and residential activities. Icephobic surfaces are defined by an ice adhesion strength τice < 100 kPa. However, the passive removal of ice requires much lower values of τice, such as on airplane wings or power lines (τice < 20 kPa). Such low τice values are scarcely reported, and robust coatings that maintain these low values have not been reported previously. We show that, irrespective of material chemistry, by tailoring the cross-link density of different elastomeric coatings and by enabling interfacial slippage, it is possible to systematically design coatings with extremely low ice adhesion (τice < 0.2 kPa). These newfound mechanisms allow for the rational design of icephobic coatings with virtually any desired ice adhesion strength. By using these mechanisms, we fabricate extremely durable coatings that maintain τice < 10 kPa after severe mechanical abrasion, acid/base exposure, 100 icing/deicing cycles, thermal cycling, accelerated corrosion, and exposure to Michigan wintery conditions over several months.

In this work, the first-ever membrane-based single unit operation that enables gravity driven, on-demand separation of various oil-water mixtures is developed. Using this methodology, the on-demand separation of free oil and water, oil-in-water emulsions, and water-in-oil emulsions is demonstrated, with ≥99.9% separation efficiency. A scaled-up apparatus to separate larger quantities (several liters) of oil-water emulsions is also developed. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.

Only the third known example of a homoleptic polynitrogen species besides N2 and N3−, the N5+ ion possesses surprising stability and can be isolated on a macroscopic scale as its AsF6− salt. The assigment of the C2v-symmetric structure (shown schematically) predicted by calculations was supported by IR and Raman as well as 14N and 15N NMR spectroscopic studies of the isotopically labeled product.

Superomniphobic surfaces display contact angles >150° and low contact angle hysteresis with essentially all contacting liquids. In this work, we report surfaces that display superomniphobicity with a range of different non-Newtonian liquids, in addition to superomniphobicity with a wide range of Newtonian liquids. Our surfaces possess hierarchical scales of re-entrant texture that significantly reduce the solid-liquid contact area. Virtually all liquids including concentrated organic and inorganic acids, bases, and solvents, as well as viscoelastic polymer solutions, can easily roll off and bounce on our surfaces. Consequently, they serve as effective chemical shields against virtually all liquids--organic or inorganic, polar or nonpolar, Newtonian or non-Newtonian.

Appropriately structured topographical features that are found in nature (e.g,, the lotus leaf) or that are produced synthetically (e.g., via lithography) can impart superhydrophobic properties to surfaces. Water beads up and readily rolls off of such surfaces, making them self-cleaning. Within the past few years, scientists and engineers have begun exploring the utility of these surfaces in mitigating the icing problem prevalent in the operation of critical infrastructure such as airplanes, ships, power lines, and telecommunications equipment. An article in this issue advances our fundamental knowledge in this area by examining the dynamic impact of water droplets on both smooth and topographically structured supercooled substrates. The results illustrate that, under at least some environmental conditions, superhydrophobic surfaces can minimize or even eliminate ice formation by repelling impinging water drops before they can freeze. Subsequent research will build on these results, possibly leading to the fabrication of commercially viable and durable icephobic surfaces that mitigate the icing problem under all environmental conditions.

A diverse and entirely new class of monomer and polymer technology based on polyhedral oligomeric silsesquioxane (POSS) reagents has been developed. POSS reagents are unique in that they are physically large (approx. 15 Å diameter and 1000 amu) and are composed of a robust silicon–oxygen framework that can be easily functionalized with a variety of organic substituents. Appropriate functionalization of POSS cages allows for their incorporation into traditional thermoplastic resins without modification of existing manufacturing processes. The incorporation of POSS segments into linear copolymer systems results in increased glass transition and decomposition temperatures, increased oxygen permeability and reduced flammability and heat evolution, as well as modified mechanical properties relative to conventional organic systems. © 1998 John Wiley & Sons, Ltd.

A simple “dip-coating” process that imbues oleophobicity to various surfaces that inherently possess re-entrant texture, such as commercially available fabrics, is reported. These dip-coated fabric surfaces exhibit reversible, deformation-dependent, tunable wettability, including the capacity to switch their surface wetting properties (between super-repellent and super-wetting) against a wide range of polar and nonpolar liquids.

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationIonic Liquids as Hypergolic FuelsStefan Schneider, *†, Tommy Hawkins, †, Michael Rosander, †, Ghanshyam Vaghjiani, †, Steven Chambreau, †, and Gregory Drake, ‡View Author Information Air Force Research Laboratory, 10 East Saturn Boulevard, Building 8451, Edwards Air Force Base, California 93524, and Propulsion and Structures Directorate, United States Army Aviation and Missile Research, Development, and Engineering Center, AMSRD-AMR-PS-PT, Building 7120, Redstone Road Redstone Arsenal, Alabama 35898* To whom correspondence should be addressed. Fax: (+1) 661-275-5471. E-mail: [email protected]†Air Force Research Laboratory.‡U.S. Army Aviation and Missile RD&E Center.Cite this: Energy Fuels 2008, 22, 4, 2871–2872Publication Date (Web):June 17, 2008Publication History Received24 April 2008Revised2 June 2008Published online17 June 2008Published inissue 1 July 2008https://pubs.acs.org/doi/10.1021/ef800286bhttps://doi.org/10.1021/ef800286brapid-communicationACS PublicationsCopyright © 2008 American Chemical SocietyRequest reuse permissionsArticle Views3320Altmetric-Citations298LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-AlertscloseSupporting Info (2)»Supporting Information Supporting Information SUBJECTS:Alcohols,Anions,Fuels,Liquids,Salts Get e-Alerts

OBJECTIVE: This study examined the effectiveness of rear-end collision warnings presented in different sensory modalities as a function of warning timing in a driving simulator. BACKGROUND: The proliferation of in-vehicle information and entertainment systems threatens driver attention and may increase the risk of rear-end collisions. Collision warning systems have been shown to improve inattentive and/or distracted driver response time (RT) in rear-end collision situations. However, most previous rear-end collision warning research has not directly compared auditory, visual, and tactile warnings. METHOD: Sixteen participants in a fixed-base driving simulator experienced four warning conditions: no warning, visual, auditory, and tactile. The warnings activated when the time-to-collision (TTC) reached a critical threshold of 3.0 or 5.0 s. Driver RT was captured from a warning below critical threshold to brake initiation. RESULTS: Drivers with a tactile warning had the shortest mean RT. Drivers with a tactile warning had significantly shorter RT than drivers without a warning and had a significant advantage over drivers with visual warnings. CONCLUSION: Tactile warnings show promise as effective rear-end collision warnings. APPLICATION: The results of this study can be applied to the future design and evaluation of automotive warnings designed to reduce rear-end collisions.

ABSTRACT This paper summarizes and compares the results of systematic research programs at two independent laboratories regarding the injection of cryogenic liquids at subcritical and supercritical pressures, with application to liquid rocket engines. Both single jets and coaxial jets have been studied. Cold flow studies provided valuable information without introducing the complexities of combustion. Initial studies utilized a single jet of cryogenic nitrogen injected into a quiescent room temperature nitrogen environment with pressures below and above the thermodynamic critical pressure of the nitrogen. Later, the work was extended to investigate the effects of a co-flowing gas. Parallel to this work, combustion studies with cryogenic propellants were introduced to understand high pressure coaxial injection phenomena with the influence of chemical reaction. Shadowgraphy and spontaneous Raman scattering were used to measure quantities such as growth rates, core lengths, turbulent length scales, fractal dimensions, and jet breakup regimes. It is found that jets injected at supercritical pressures do not atomize as they do at subcritical pressures. Rather, they behave in many respects like variable density turbulent gas jets. Keywords: propellant injectionsprayssupercritical pressure The DLR would like to acknowledge all those who have been involved in the research programs. These people include colleagues at the test bench and technicians who have helped make these studies possible. The last two authors would like to thank Mr. Mike Griggs and Mr. Earl Thomas, and Mr. Mark Wilson for their assistance in machining, setup, and operation of the AFRL facility. Ms. Jennie Paton is also thanked for making literature available in a timely manner. The AFRL part of the work is sponsored by the Air Force Office of Scientific Research under Dr. Mitat Birkan, program Manager.

Hierarchically structured, superoleophobic surfaces are demonstrated that display one of the lowest contact angle hysteresis values ever reported – even with extremely low-surface-tension liquids such as n-heptane. Consequently, these surfaces allow, for the first time, even ≈2 μL n-heptane droplets to bounce and roll-off at tilt angles. ≤ 2°. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.

The long-sought pentazolate anion, cyclo-N5−, the isoelectronic polynitrogen counterpart of the cyclopentadienide anion, has been experimentally detected for the first time. Using electrospray ionization mass spectrometry and carefully selected collision voltages, the aryl substituent in the para-pentazolylphenolate anion can be removed selectively without breaking the nitrogen–nitrogen bonds of the pentazolate anion (see scheme), thus delineating a synthetic method for the bulk synthesis of N5−.

Abstract General methods are described for the preparation of discrete polyhedral oligomeric silsesquioxane (POSS) macromers and for their incorporation into linear polymeric systems. Depending on the type of functionality contained on the POSS macromer, macromolecular systems can be constructed with POSS units as either main chain (bead), side chain (pendant), or chain terminus groups. The preparation and polymerization chemistry for bead and pendant POSS macromers are described. The properties of the resulting polymers are discussed with respect to the overall polymer composition and architecture. Implications of the macromers as novel polymer hard blocks, polymer additives, and as non-network hybrid materials are discussed.

Halogen bonding has increasingly facilitated the assembly of diverse host-guest solids. Here, we show that a well-known class of organic salts, bis(trimethylammonium) alkane diiodides, can reversibly encapsulate alpha,omega-diiodoperfluoroalkanes (DIPFAs) through intermolecular interactions between the host's I- anions and the guest's terminal iodine substituents. The process is highly selective for the fluorocarbon that forms an I-...I(CF2)mI...I- superanion that is matched in length to the chosen dication. DIPFAs that are 2 to 12 carbons in length (common industrial intermediates) can thereby be isolated from mixtures by means of crystallization from solution upon addition of the dissolved size-matched ionic salt. The solid-state salts can also selectively capture the DIPFAs from the vapor phase, yielding the same product formed from solution despite a lack of porosity of the starting lattice structure. Heating liberates the DIPFAs and regenerates the original salt lattice, highlighting the practical potential for the system in separation applications.

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