Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces

Non-bonded potentials are included in most force fields and therefore widely used in classical molecular dynamics simulations of materials and interfacial phenomena. It is commonplace to truncate these potentials for computational efficiency based on the assumption that errors are negligible for reasonable cutoffs or compensated for by adjusting other interaction parameters. Arising from a metadynamics study of the wetting transition of water on a solid substrate, we find that the influence of the cutoff is unexpectedly strong and can change the character of the wetting transition from continuous to first order by creating artificial metastable wetting states. Common cutoff corrections such as the use of a force switching function, a shifted potential, or a shifted force do not avoid this. Such a qualitative difference urges caution and suggests that using truncated non-bonded potentials can induce unphysical behavior that cannot be fully accounted for by adjusting other interaction parameters

Baryon-baryon scattering in the Gross-Neveu model: the large N solution

The scattering of two Dashen-Hasslacher-Neveu (DHN) baryons in the large N Gross-Neveu model is solved exactly using the relativistic, time-dependent Hartree-Fock approach. Unlike the special case of kink-antikink scattering, the scattering of DHN baryons is sensitive to the back-reaction of the fermions bound inside the baryons. Correspondingly the solution is much more complicated than the kink-antikink scattering solutions, which can be expressed in terms of sinh-Gordon solitons. Nevertheless, we present a simple ansatz form that gives closed analytic expressions for both the space-time dependent mean fields and the Dirac spinors for all continuum and bound states. The solution can also be applied to the scattering of polarons and solitons in conducting polymers.Comment: 22 pages, 5 figure

Shock Temperature of Stainless Steel and a High Pressure - High Temperature Constraint on Thermal Diffusivity of Al_2O_3

Time dependent shock temperatures were measured for stainless steel (SS) films in contact with transparent anvils. The anvil/window material was the same as the driver material so that there would be symmetric heat flow from the sample. Inferred Hugoniot temperatures, T_h , of 5800–7500 K at 232–321 GPa are consistent with previous measurements in SS. Temperatures at the film‐anvil interface (T_i ), which are more directly measured than T_h , indicate that T_i did not decrease measurably during the approximately 250 ns that the shock wave was in Al_2O_3 or LiF anvils. Thus an upper bound is obtained for the thermal diffusivity of Al_2O_3 at the metal/anvil interface at 230 GPa and 6000K of κ≤0.00096 cm_2/s. This is a factor of 17 lower than previously calculated values, resulting in a decrease of the inferred T_h by 730 k. The observed shock temperatures are combined with temperatures calculated from measured Hugoniots and are used to calculate thermal conductivities of Al_2O_3. Also we note that since there was no measurable intensity decrease during the time when the shock wave propagated through the window, we infer from this that Al_2O_3 remained transparent while in the shocked state. Thus sapphire is a good window material to at least 250 GPa for shock temperature measurements for metals

Effect of extrusion on the nutritional value of soybeans and sorghum grain in finishing pigs

A total of 112 finishing pigs (avg initial wt of 139 lb) was used to determine the effects of adding extruded soybeans and/or sorghum grain to diets for finishing pigs. Treatments were: 1) sorghum-soybean meal control (sorghum-SBM), 2) extruded soybeans and ground sorghum, 3) SBM and extruded sorghum, and 4) extruded soybeans and sorghum. All diets were isocaloric and isolysinic. Using extruded soybeans and/or sorghum improved efficiency of gain compared to the sorghum-SBM control. This response was apparently related to the improved digestibilities of dry matter and nitrogen with the use of extruded ingredients. Optimum digestibility of dry matter and nitrogen was achieved when just the sorghum was extruded, but optimum growth performance (ie., efficiency of gain) was achieved when extruded sorghum and soybeans were added to the diet.; Swine Day, Manhattan, KS, November 15, 199

Effects of daily porcine somatotropin administration on tile performance and carcass characteristics of finishing swine

One hundred forty-four pigs (72 barrows and 72 gilts) were utilized in six treatments with six pens each to evaluate four levels of daily porcine somatotropin (pST) injections (0, 1, 3, or 5 mg/d) in combination with diets containing 13 or 16% crude protein (CP). One randomly selected pig from each pen was slaughtered when it reached a weight between 230 and 240 lb. Daily feed intake (ADFI), tenth rib backfat, and estimated percentage of lean pork were reduced in pigs fed the 13% CP diet and injected with 3 mg/d pST compared to pigs fed the same diet and injected daily with a placebo. Feed intake was reduced in pigs fed the 16% CP diet and injected daily with 3 and 5 mg/d pST. Improvement in feed conversion (F/G), tenth rib backfat, and estimated percentage lean pork occurred when pigs fed the 16% CP diet were injected with 1 mg/d, with greater improvements occurring at the 3 and 5 mg/d levels of pST. The improvement in F/G and the greater magnitude of response observed in pigs fed 16% CP diets compared to the response of pigs fed the 13% CP diet indicate that both the performance and carcass characteristics of pigs injected with pST are dependent on the dietary CP content.; Swine Day, Manhattan, KS, November 16, 198

ДО ПИТАННЯ ПРО ЄДНІСТЬ ДВОРЯНСЬКОЇ ВЕРСТВИ (НА ПРИКЛАДІ КАТЕРИНОСЛАВСЬКОГО ДВОРЯНСТВА)

Встатті аналізуються внутрішньокорпоративні відносинидворянської верстви на прикладі Катеринославської губерніїCorporate Relationships ofNobility inKaterinoslavRegion are analyzed in this articl

Ecological baseline study of the Yakima Firing Center proposed land acquisition: A status report

This report provides baseline environmental information for the property identified for possible expansion of the Yakima Firing Center. Results from this work provide general descriptions of the animals and major plant communities present. A vegetation map derived from a combination of on-site surveillance and remotely sensed imagery is provided as part of this report. Twenty-seven wildlife species of special interest (protected, sensitive, furbearer, game animal, etc.), and waterfowl, were observed on the proposed expansion area. Bird censuses revealed 13 raptorial species (including four of special interest: bald eagle, golden eagle, osprey, and prairie falcon); five upland game bird species (sage grouse, California quail, chukar, gray partridge, and ring-necked pheasant); common loons (a species proposed for state listing as threatened); and five other species of special interest (sage thrasher, loggerhead shrike, mourning dove, sage sparrow, and long-billed curlew). Estimates of waterfowl abundance are included for the Priest Rapids Pool of the Columbia River. Six small mammal species were captured during this study; one, the sagebrush vole, is a species of special interest. Two large animal species, mule deer and elk, were noted on the site. Five species of furbearing animals were observed (coyote, beaver, raccoon, mink, and striped skunk). Four species of reptiles and one amphibian were noted. Fisheries surveys were conducted to document the presence of gamefish, and sensitive-classified fish and aquatic invertebrates. Rainbow trout were the only fish collected within the boundaries of the proposed northern expansion area. 22 refs., 10 figs., 4 tabs

Ecological baseline study of the Yakima Firing Center proposed land acquisition: A Preliminary Report

A baseline census was conducted from October 1987 to Janurary 1988 on the property identified for possible expansion of the Yakima Firing Center. These studies provide general descriptions of the major plant communities presentand animal inhabitants during the late fall and winter study period. A vegetation map derived from a combination of onsite surveillance and remotely sensed imagery is also provided as part of this report. Through January 1988, 13 wildlife species of special interest to state and federal agencies, in addition to ducks and geese, were observed on the proposed expansion area. Then raptorial bird species were observed in the area, including bald eagles, golden eagles, and prairie falcons. Upland game bird species, such as sage grouse, California quail, chuckars, and gray (Hungarian) partridge were present. Loggerhead shrikes, a species of special interest, were also observed on the site. Estimates of waterfowl abundance are included for the Priest Rapids Pool of the Columbia River, which includes the proposed river crossing sites. The number of waterfowl on the proposed crossing areas were comparatively low during the winter of 1986 to 1987 and high in 1987 to 1988. Bald eagles ad common loons were observed on the crossing areas. Six small mammal species were captured during this study period;one, the sagebrush vole, is a species of special interest. Two large animal species, mule deer and elk, were noted on the site. Beaver were the only furbearig animals noted to date. Rainbow trout were the only fish species collected within the proposed northern expansion area. The distribution of fall chinook salmon spawning areas was documented within the proposed river crossing areas. 3 refs., 7 figs., 3 tabs

Micro droplet formation towards continuous nanoparticles synthesis

In this paper, micro droplets are generated in a microfluidic focusing contactor and then they move sequentially in a free-flowing mode (no wall contact). For this purpose, two different micro-flow glass devices (hydrophobic and hydrophilic) were used. During the study, the influence of the flow rate of the water phase and the oil phase on the droplet size and size distribution was investigated. Moreover, the influence of the oil phase viscosity on the droplet size was analyzed. It was found that the size and size distribution of the droplets can be controlled simply by the aqueous phase flow rate. Additionally, 2D simulations to determine the droplet size were performed and compared with the experiment.Marek Wojnicki, Magdalena Luty-Błocho, Volker Hessel, Edit Csapó, Ditta Ungor and Krzysztof Fitzne

Implementation and Outcomes of Commercial Disease Management Programs in the United States: The Disease Management Outcomes Consolidation Survey

Despite widespread adoption of disease management (DM) programs by US health plans, gaps remain in the evidence for their benefit. The Disease Management Outcomes Consolidation Survey was designed to gather data on DM programs for commercial health plans, to assess program success and DM effectiveness. The questionnaire was mailed to 292 appropriate health plan contacts; 26 plans covering more than 14 million commercial members completed and returned the survey. Respondents reported that DM plays a significant and increasing role in their organizations. Key reasons for adopting DM were improving clinical outcomes, reducing medical costs and utilization, and improving member satisfaction. More respondents were highly satisfied with clinical results than with utilization or cost outcomes of their programs (46%, 17%, and 13%, respectively). Detailed results were analyzed for 57 DM programs with over 230,000 enrollees. Most responding plans offered DM programs for diabetes and asthma, with return on investment (ROI) ranging from 0.16:1 to 4:1. Weighted by number of enrollees per DM program, average ROI was 2.56:1 for asthma (n = 1,136 enrollees) and 1.98:1 for diabetes (n = 25,364). Most (but not all) respondents reported reduced hospital admissions, increasing rates of preventive care, and improved clinical measures. Few respondents provided detailed information about DM programs for other medical conditions, but most that did reported positive outcomes. Lack of standardized methodology was identified as a major barrier to in-house program evaluation. Although low response rate precluded drawing many general conclusions, a clear need emerged for more rigorous evaluation methods and greater standardization of outcomes measurement. (Disease Management 2005;8:253–264)Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/63399/1/dis.2005.8.253.pd