Tubular stabilizer bars – calculations and construction
Directory of Open Access Journals (Sweden)
Adam-Markus WITTEK
2011-01-01
Full Text Available The article outlines the calculation methods for tubular stabilizer bars. Modern technological and structural solutions in contemporary cars are reflected also in the construction, selection and manufacturing of tubular stabilizer bars. A proper construction and the selection of parameters influence the strength properties, the weight, durability and reliability as well as the selection of an appropriate production method.
Stabilizer bars: Part 1. Calculations and construction
Directory of Open Access Journals (Sweden)
Adam-Markus WITTEK
2010-01-01
Full Text Available The article outlines the calculation methods for stabilizer bars. Modern technological and structural solutions in contemporary cars are reflected also in the construction and manufacturing of stabilizer bars. A proper construction and the selection of parameters influence the strength properties, the weight, durability and reliability as well as the selection of an appropriate production method.
Tearing mode stability calculations with pressure flattening
Ham, C J; Cowley, S C; Hastie, R J; Hender, T C; Liu, Y Q
2013-01-01
Calculations of tearing mode stability in tokamaks split conveniently into an external region, where marginally stable ideal MHD is applicable, and a resonant layer around the rational surface where sophisticated kinetic physics is needed. These two regions are coupled by the stability parameter. Pressure and current perturbations localized around the rational surface alter the stability of tearing modes. Equations governing the changes in the external solution and - are derived for arbitrary perturbations in axisymmetric toroidal geometry. The relationship of - with and without pressure flattening is obtained analytically for four pressure flattening functions. Resistive MHD codes do not contain the appropriate layer physics and therefore cannot predict stability directly. They can, however, be used to calculate -. Existing methods (Ham et al. 2012 Plasma Phys. Control. Fusion 54 025009) for extracting - from resistive codes are unsatisfactory when there is a finite pressure gradient at the rational surface ...
On the Calculation of Formal Concept Stability
Directory of Open Access Journals (Sweden)
Hui-lai Zhi
2014-01-01
Full Text Available The idea of stability has been used in many applications. However, computing stability is still a challenge and the best algorithms known so far have algorithmic complexity quadratic to the size of the lattice. To improve the effectiveness, a critical term is introduced in this paper, that is, minimal generator, which serves as the minimal set that makes a concept stable when deleting some objects from the extent. Moreover, by irreducible elements, minimal generator is derived. Finally, based on inclusion-exclusion principle and minimal generator, formulas for the calculation of concept stability are proposed.
Probabilistic Damage Stability Calculations for Ships
DEFF Research Database (Denmark)
Jensen, Jørgen Juncher
1996-01-01
The aim of these notes is to provide background material for the present probabilistic damage stability rules fro dry cargo ships.The formulas for the damage statistics are derived and shortcomings as well as possible improvements are discussed. The advantage of the definiton of fictitious...
Preliminary Calculation on a Spent Fuel Pool Accident using GOTHIC
Energy Technology Data Exchange (ETDEWEB)
Park, Jaehwan; Choi, Yu Jung; Hong, Tae Hyub; Kim, Hyeong-Taek [KHNP-CRI, Daejeon (Korea, Republic of)
2015-10-15
The probability of an accident happening at the spent fuel pool was believed to be quite low until the 2011 Fukushima accident occurred. Notably, large amount of spent fuel are normally stored in the spent fuel pool for a long time compared to the amount of fuel in the reactor core and the total heat released from the spent fuel is high enough to boil the water of the spent fuel pool when the cooling system does not operate. In addition, the enrichment and the burnup of the fuel have both increased in the past decade and heat generation from the spent fuel thereby has also increased. The failure of the cooling system at the spent fuel pool (hereafter, a loss-of-cooling accident) is one of the principal hypothetical causes of an accident that could occur at the spent fuel pool. In this paper, the preliminary calculation of a loss-of-cooling accident was performed. In this paper, the preliminary calculation of a loss-of cooling accident was performed with GOTHIC. The calculation results show boiling away of water in the spent fuel pool due to the loss-of-cooling accident and similar thermal performance of the spent fuel pool with previous research results.
STABILIZER BARS – CALCULATIONS, CONSTRUCTION AND PRODUCTION METHODS
Directory of Open Access Journals (Sweden)
Adam Marek WITTEK
2015-06-01
Full Text Available The article outlines the calculation and production methods for stabilizer bars. Modern technological and structural solutions in contemporary cars are reflected also in the construction and manufacturing of stabilizer bars. A proper construction and the selection of parameters influence the strength properties, the weight, durability and reliability as well as the selection of an appropriate production method. The selection of the manufacturing process has a fundamental impact on the quality and durability of the stabilizer bars.
Exact Stability Calculation for Timber Beams and Columns
Van der Put, T.A.C.M.
2013-01-01
A derivation is given of simplified, exact stability design rules according to limit analysis, applied to timber beam-columns. These rules are lacking but are necessary to be able to provide real and calculable reliability as is required according to European pacts and laws. Necessary therefore are
Preliminary safety evaluation for the plutonium stabilization and packaging system
Energy Technology Data Exchange (ETDEWEB)
Shapley, J.E., Fluor Daniel Hanford
1997-03-14
This Preliminary Safety Evaluation (PSE) describes and analyzes the installation and operation of the Plutonium Stabilization and Packaging System (SPS) at the Plutonium Finishing Plant (PFP). The SPS is a combination of components required to expedite the safe and timely storage of Plutonium (Pu) oxide. The SPS program will receive site Pu packages, process the Pu for storage, package the Pu into metallic containers, and safely store the containers in a specially modified storage vault. The location of the SPS will be in the 2736- ZB building and the storage vaults will be in the 2736-Z building of the PFP, as shown in Figure 1-1. The SPS will produce storage canisters that are larger than those currently used for Pu storage at the PFP. Therefore, the existing storage areas within the PFP secure vaults will require modification. Other modifications will be performed on the 2736-ZB building complex to facilitate the installation and operation of the SPS.
The role of pressure flattening in calculating tearing mode stability
Ham, C. J.; Connor, J. W.; Cowley, S. C.; Hastie, R. J.; Hender, T. C.; Liu, Y. Q.
2013-12-01
Calculations of tearing mode stability in tokamaks split conveniently into one in an external region, where marginally stable ideal magnetohydrodynamics (MHD) is applicable, and one in a resonant layer around the rational surface where sophisticated kinetic physics is needed. These two regions are coupled by the stability parameter Δ‧. Axisymmetric pressure and current perturbations localized around the rational surface significantly alter Δ‧. Equations governing the changes in the external solution and Δ‧ are derived for arbitrary perturbations in axisymmetric toroidal geometry. These equations can be used in two ways: (i) the Δ‧ can be calculated for a physically occurring perturbation to the pressure or current; (ii) alternatively we can use these equations to calculate Δ‧ for profiles with a pressure gradient at the rational surface in terms of the value when the perturbation removes this gradient. It is the second application we focus on here since resistive magnetohydrodynamics (MHD) codes do not contain the appropriate layer physics and therefore cannot predict stability for realistic hot plasma directly. They can, however, be used to calculate Δ‧. Existing methods (Ham et al 2012 Plasma Phys. Control. Fusion 54 025009) for extracting Δ‧ from resistive codes are unsatisfactory when there is a finite pressure gradient at the rational surface and favourable average curvature because of the Glasser stabilizing effect (Glasser et al 1975 Phys. Fluids 18 875). To overcome this difficulty we introduce a specific artificial pressure flattening function that allows the earlier approach to be used. The technique is first tested numerically in cylindrical geometry with an artificial favourable curvature. Its application to toroidal geometry is then demonstrated using the toroidal tokamak tearing mode stability code T7 (Fitzpatrick et al 1993 Nucl. Fusion 33 1533) which employs an approximate analytic equilibrium. The prospects for applying this
Preliminary hazards analysis of thermal scrap stabilization system. Revision 1
Energy Technology Data Exchange (ETDEWEB)
Lewis, W.S.
1994-08-23
This preliminary analysis examined the HA-21I glovebox and its supporting systems for potential process hazards. Upon further analysis, the thermal stabilization system has been installed in gloveboxes HC-21A and HC-21C. The use of HC-21C and HC-21A simplified the initial safety analysis. In addition, these gloveboxes were cleaner and required less modification for operation than glovebox HA-21I. While this document refers to glovebox HA-21I for the hazards analysis performed, glovebox HC-21C is sufficiently similar that the following analysis is also valid for HC-21C. This hazards analysis document is being re-released as revision 1 to include the updated flowsheet document (Appendix C) and the updated design basis (Appendix D). The revised Process Flow Schematic has also been included (Appendix E). This Current revision incorporates the recommendations provided from the original hazards analysis as well. The System Design Description (SDD) has also been appended (Appendix H) to document the bases for Safety Classification of thermal stabilization equipment.
Preliminary skyshine calculations for the Poloidal Diverter Tokamak Experiment
Nigg, D. W.; Wheeler, F. J.
1981-01-01
A calculational model is presented to estimate the radiation dose, due to the skyshine effect, in the control room and at the site boundary of the Poloidal Diverter Experiment (PDX) facility at Princeton University which requires substantial radiation shielding. The required composition and thickness of a water-filled roof shield that would reduce this effect to an acceptable level is computed, using an efficient one-dimensional model with an Sn calculation in slab geometry. The actual neutron skyshine dose is computed using a Monte Carlo model with the neutron source at the roof surface obtained from the slab Sn calculation, and the capture gamma dose is computed using a simple point-kernel single-scatter method. It is maintained that the slab model provides the exact probability of leakage out the top surface of the roof and that it is nearly as accurate as and much less costly than multi-dimensional techniques.
Parallel processing of atmospheric chemistry calculations: Preliminary considerations
Energy Technology Data Exchange (ETDEWEB)
Elliott, S.; Jones, P.
1995-01-01
Global climate calculations are already saturating the class modern vector supercomputers with only a few central processing units. Increased resolution and inclusion of routines to deal with biogeochemical portions of the terrestrial climate system will soon demand massively parallel approaches. The atmospheric photochemistry ensemble is intimately linked to climate through the trace greenhouse gases ozone and methane and modules for representing it are being attached to global three dimensional transport and GCM frameworks. Atmospheric kinetics involve dozens of highly interactive tracers and so will accentuate the need for parallel processing of earth system simulations. In the present text we lay some of the groundwork for addition of atmospheric kinetics packages to GCM and global scale atmospheric models on multiply parallel computers. The discussion is tailored for consumption by the photochemical modelling community. After a review of numerical atmospheric chemistry methods, we examine how kinetics can be implemented on a parallel computer. We concentrate especially on data layout and flexibility and how these can be implemented in various programming models. We conclude that chemistry can be implemented rather easily within existing frameworks of several parallel atmospheric models. However, memory limitations may preclude high resolution studies of global chemistry.
MR imaging of prostate. Preliminary experience with calculated imaging in 28 cases
Energy Technology Data Exchange (ETDEWEB)
Gevenois, P.A.; Van Regemorter, G.; Ghysels, M.; Delepaut, A.; Van Gansbeke, D.; Struyven, J.
1988-04-01
The majority of studies with MR imaging in prostate disease are based on a semiology obtained using images weighted in T1 and T2. A study was carried out to evaluate effects of images calculated in T1 and T2 obtained at 0.5T. This preliminary study concerns 28 prostate examinations with spin-echo acquisition and inversion-recuperation parameters, and provided images calculated in T1, weighted and calculated in T2. Images allowed detection and characterization of prostate lesions. However, although calculated images accentuate discrimination of the method, the weighted images conserve their place because of their improved spatial resolution.
Theory and calculation of two-stage voltage stabilizer on zener diodes
Directory of Open Access Journals (Sweden)
G. S. Veksler
1966-12-01
Full Text Available Two-stage stabilizer is compared with one-stage. There have been got formulas, which give the possibility to make an engineering calculation. There is an example of the calculation.
The numerical stability of nonlinear floating body calculations
Park, Jong-Hwan
1992-01-01
The numerical stability of nonlinear body-wave interaction problems is investigated by applying potential flow assumptions to oscillating, non-wallsided two-dimensional and three-dimensional axisymmetric bodies. This body-wave interaction problem is solved using a mixed two-step Eulerian-Lagrangian method. In the first step, Laplace's equation is solved to determine the unknown potential values on the body and the unknown derivatives of the potentials on the free surface. In the second step, free surface boundary conditions are applied using the results of the first step to find the evolved free surface location and new potential values on the new location. Each step has particular mathematical characteristics (elliptic or parabolic-like), so that each step requires different numerical schemes. Consequently, the numerical stability of this body-wave interaction problem contains the characteristics of both of these two steps. The major contributions made to this body-wave interaction problem are the effects of the various parameters (i.e. time increments, panel length, etc.) and the different forms of the Boundary Integral Method (BIM) on numerical stability and accuracy. The far-field truncation requirement is met by matching the linear outer solution to the nonlinear inner solution at the truncation boundary. The intersection point is traced by the extrapolation method with a special boundary condition at the intersection point. To determine the evolution of the free surface according to a Lagrangian model, a regridding scheme is utilized to prevent the concentration of the Lagrangian markers in the vicinity of high gradients. A parameter for the numerical stability of free surface waves, the Free Surface Stability (FSS) number, is defined as a function of the time step size and the discretized panel length. The various stability regions are investigated by changing the FSS number, Green's function constant c, and numerical schemes. A nonlinear stability analysis
Verification of EPA's " Preliminary remediation goals for radionuclides" (PRG) electronic calculator
Energy Technology Data Exchange (ETDEWEB)
Stagich, B. H. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)
2017-03-29
The U.S. Environmental Protection Agency (EPA) requested an external, independent verification study of their “Preliminary Remediation Goals for Radionuclides” (PRG) electronic calculator. The calculator provides information on establishing PRGs for radionuclides at Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) sites with radioactive contamination (Verification Study Charge, Background). These risk-based PRGs set concentration limits using carcinogenic toxicity values under specific exposure conditions (PRG User’s Guide, Section 1). The purpose of this verification study is to ascertain that the computer codes has no inherit numerical problems with obtaining solutions as well as to ensure that the equations are programmed correctly.
Energy Technology Data Exchange (ETDEWEB)
Dickerson, M.H.
1980-08-01
ARAC was on-line calculating hourly concentration values during the TMI-2 venting of /sup 85/Kr gas from June 28 to July 11, 1980. During this time hourly isopleths of normalized instantaneous concentration were calculated and transmitted to EPA in Middletown, PA. These isopleths were used to help locate the EPA and Penn State mobile air samplers and they were used for comparison to the EPA fixed 24 hr sampler measurements and the DOE helicopter measurements. This report summarizes preliminary comparisons for the EPA fixed samplers and the DOE helicopters.
Neutral stability calculations for boundary-layer flows
Nayfeh, A. H.; Padhye, A.
1980-01-01
An analysis is presented of the parallel neutral stability of three-dimensional incompressible, isothermal boundary-layer flows. A Taylor-series expansion of the dispersion relation is used to derive the general eigenvalues. These equations are functions of the complex group velocity. These relations are verified by numerical results obtained for two- and three-dimensional disturbances in two- and three-dimensional flows.
A Preliminary Calculation of 235U (n,2n) 234U Cross Sections
Energy Technology Data Exchange (ETDEWEB)
Chen, H.; Ross, M.A.; Reffo, G.; White, R.M.; Younes, W.
1999-11-23
Preliminary calculations of the total two-neutron emission cross section, {sup 235}U(n,2n) {sup 234}U and the partial two-neutron emission cross sections, {sup 235}U(n, 2n{gamma}) {sup 234}U, are presented. The {sup 235}U(n, 2n{gamma}) {sup 234}U cross sections describe the process of {gamma}-decays in the residual nucleus following the two-neutron emission and were calculated for several {gamma}-transitions between states of the ground-state band of the {sup 234}U nucleus. All three reaction mechanisms, namely, direct, pre-equilibrium and compound, were included. In addition, fission competition as well as {gamma}-cascade were considered in the compound component of the cross section calculations. A comparison with the relevant experimental data obtained from the GEANIE detector at the LANSCE/WNR facility in Los Alamos was also carried out.
The 239 Pu(n,2n)238Pu cross section: preliminary calculations
Energy Technology Data Exchange (ETDEWEB)
Chen, H; Reffo, G; Ross, M A; White, R M
1999-03-12
The primary motivation for the present work is to provide theoretical values for the ratio of the partial ^{239}Pu(n,2nx{gamma})^{238}Pu to total ^{239} Pu(n,2n)^{238}Pu cross section for several discrete gamma transitions. Results and conclusions of preliminary calculations from threshold to 20 MeV are presented. Calculations are based on theoretical models with parameters obtained from the literature or from our ad hoc systematics. Optical model cross sections and transmission coefficients were determined using the coupled-channels method. The calculations included a preequilibrium component followed by multiple particle and gamma-ray emissions. Fission competition was included at all stages of de-excitation. Suggestions for further verifications and possible improvements are provided.
The consideration of atmospheric stability within wind farm AEP calculations
Schmidt, Jonas; Chang, Chi-Yao; Dörenkämper, Martin; Salimi, Milad; Teichmann, Tim; Stoevesandt, Bernhard
2016-09-01
The annual energy production of an existing wind farm including thermal stratification is calculated with two different methods and compared to the average of three years of SCADA data. The first method is based on steady state computational fluid dynamics simulations and the assumption of Reynolds-similarity at hub height. The second method is a wake modelling calculation, where a new stratification transformation model was imposed on the Jensen an Ainslie wake models. The inflow states for both approaches were obtained from one year WRF simulation data of the site. Although all models underestimate the mean wind speed and wake effects, the results from the phenomenological wake transformation are compatible with high-fidelity simulation results.
Directory of Open Access Journals (Sweden)
István Bors
2015-09-01
Full Text Available Maize (Zea mays L. is often contaminated with Fusarium verticillioides. This harmful fungus produces fumonisins as secondary metabolites. These fumonisins can appear both free and hidden form in planta. The hidden form is usually bound covalently to cereal starch. From the hidden fumonisins, during enzymatic degradation, glycosides are formed, and the fumonisin is further decomposed during a de-esterification step. In this short communication some preliminary DFT calculated structural results which could be useful in the future to help to understand the van der Waals force controlled molecular interactions between these kinds of mycotoxin molecules and enzymes are demonstrated.
Preliminary Analysis of Slope Stability in Kuok and Surrounding Areas
Directory of Open Access Journals (Sweden)
Dewandra Bagus Eka Putra
2016-12-01
Full Text Available The level of slope influenced by the condition of the rocks beneath the surface. On high level of slopes, amount of surface runoff and water transport energy is also enlarged. This caused by greater gravity, in line with the surface tilt from the horizontal plane. In other words, topsoil eroded more and more. When the slope becomes twice as steep, then the amount of erosion per unit area be 2.0 - 2.5 times more. Kuok and surrounding area is the road access between the West Sumatra and Riau which plays an important role economies of both provinces. The purpose of this study is to map the locations that have fairly steep slopes and potential mode of landslides. Based on SRTM data obtained, the roads in Kuok area has a minimum elevation of + 33 m and a maximum + 217.329 m. Rugged road conditions with slope ranging from 24.08 ° to 44.68 ° causing this area having frequent landslides. The result of slope stability analysis in a slope near the Water Power Plant Koto Panjang, indicated that mode of active failure is toppling failure or rock fall and the potential zone of failure is in the center part of the slope.
Method of Time-Delay Calculating and Correcting to Control Spin-Stabilized Satellite Synchronously
Institute of Scientific and Technical Information of China (English)
YangTianshe; LiJisheng; HuangYongxuan
2005-01-01
The key to control Spin-Stabilized Satellites Synchronously is to determine the models for calculating and correcting of time-delay at the different situations. Based on the principle of Synchronous-Control mode, the methods of determining the models of calculating and correcting of time-delay are proposed. The methods have been proved to be effective in real satellite control engineering.
Calculated Pourbaix Diagrams of Cubic Perovskites for Water Splitting: Stability Against Corrosion
DEFF Research Database (Denmark)
Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel
2014-01-01
We use density functional theory calculations to investigate the stability of cubic perovskites for photo-electrochemical water splitting taking both materials in their bulk crystal structure and dissolved phases into account. The method is validated through a detailed comparison of the calculated...
Stability calculation method of slope reinforced by prestressed anchor in process of excavation.
Li, Zhong; Wei, Jia; Yang, Jun
2014-01-01
This paper takes the effect of supporting structure and anchor on the slope stability of the excavation process into consideration; the stability calculation model is presented for the slope reinforced by prestressed anchor and grillage beam, and the dynamic search model of the critical slip surface also is put forward. The calculation model of the optimal stability solution of each anchor tension of the whole process is also given out, through which the real-time analysis and checking of slope stability in the process of excavation can be realized. The calculation examples indicate that the slope stability is changed with the dynamic change of the design parameters of anchor and grillage beam. So it is relatively more accurate and reasonable by using dynamic search model to determine the critical slip surface of the slope reinforced by prestressed anchor and grillage beam. Through the relationships of each anchor layout and the slope height of various stages of excavation, and the optimal stability solution of prestressed bolt tension design value in various excavation stages can be obtained. The arrangement of its prestressed anchor force reflects that the layout of the lower part of bolt and the calculation of slope reinforcement is in line with the actual. These indicate that the method is reasonable and practical.
Directory of Open Access Journals (Sweden)
Yu-Pei Huang
2015-01-01
Full Text Available The output power of a high concentration photovoltaic (HCPV system is very sensitive to fluctuating tracking errors and weather patterns. To help compensate this shortcoming, supercapacitors have been successfully incorporated into photovoltaic systems to improve their output power stability. This study examined the output power stability improvement of an HCPV module with a supercapacitor integrated into its circuit. Furthermore, the equivalent model of the experimental circuit is presented and analyzed. Experimental results suggest that integrating a supercapacitor into an HCPV module could improve its output power stability and further extend its acceptance angle. This paper provides preliminary data of the improvement and its evaluation method, which could be utilized for further improvements to an HCPV system.
A selection method for the calculation of preliminary risk-based remediation goals
Energy Technology Data Exchange (ETDEWEB)
Mahoney, L.A.; Batey, J.C.; Pintenich, J.L. [Eckenfelder Inc., Nashville, TN (United States)
1995-12-31
In the process of deriving acceptable concentrations of chemical constituents (or preliminary risk-based remediation goals, PRGs) for hazardous and other waste sites based on the site risk assessment results, it may be necessary or desirable to select a subset of constituents to focus the remainder of the site activities including the feasibility study and possibly, remedial design and verification sampling. Use of a focused set of action or clean-up goals offers the benefits of targeting those site areas where efforts should be concentrated, and reducing the cost and complexity of clean-up and verification sampling. Although the federal Superfund risk assessment guidance provides methods by which to calculate PRGs, no information is given on how to select which chemicals PRGs should be generated for. A method for this selection is presented which establishes: the media of interest; the populations for which PRGs should be generated; the relevant exposure route(s) for a given population to be used in calculating PRGs; and the individual constituents for which PRGs should be estimated. To illustrate this selection process, remedial investigation (RI) data and a baseline risk assessment for a hazardous waste site in Mississippi were used. The media of interest were identified as surface water and sediment from a creek that is adjacent to the site, on-site surface water, and groundwater from the uppermost aquifer. Of the 45 constituents detected in site-related waters, this selection process resulted in 16 for which PRGs were calculated, which served to focus the subsequent feasibility study efforts.
Calculation and Simulation Study on Transient Stability of Power System Based on Matlab/Simulink
Directory of Open Access Journals (Sweden)
Shi Xiu Feng
2016-01-01
Full Text Available The stability of the power system is destroyed, will cause a large number of users power outage, even cause the collapse of the whole system, extremely serious consequences. Based on the analysis in single machine infinite system as an example, when at the f point two phase ground fault occurs, the fault lines on either side of the circuit breaker tripping resection at the same time,respectively by two kinds of calculation and simulation methods of system transient stability analysis, the conclusion are consistent. and the simulation analysis is superior to calculation analysis.
Wang, Qingchuan; Zhang, Bingchun; Yang, Ke
2016-07-01
A series of high nitrogen steels were studied by using thermodynamic calculations to investigate the effect of manganese on the stability of austenite. Surprisingly, it was found that the austenite stabilizing ability of manganese was strongly weakened by chromium, but it was strengthened by molybdenum. In addition, with an increase of manganese content, the ferrite stabilizing ability of chromium significantly increased, but that of molybdenum decreased. Therefore, strong interactions exist between manganese and the other alloying elements, which should be the main reason for the difference among different constituent diagrams.
DEFF Research Database (Denmark)
Meng-Lund, Helena; Friis, Natascha; van de Weert, Marco
2017-01-01
A quantitative structure-property relationship (QSPR) between protein stability and the physicochemical properties of excipients was investigated to enable a more rational choice of stabilizing excipients than prior knowledge. The thermal transition temperature and aggregation time were determined...... analysis was applied to correlate the descriptors with the experimental results. It was possible to identify descriptors, i.e. amino acids properties, with a positive influence on either transition temperature or aggregation onset time, or both. A high number of hydrogen bond acceptor moieties was the most....... The QSPR shows good correlation between calculated molecular descriptors and the measured stabilizing effect of amino acids on lysozyme....
Calculation of the Stabilization Energies of Oxidatively Damaged Guanine Base Pairs with Guanine
Directory of Open Access Journals (Sweden)
Hiroshi Miyazawa
2012-06-01
Full Text Available DNA is constantly exposed to endogenous and exogenous oxidative stresses. Damaged DNA can cause mutations, which may increase the risk of developing cancer and other diseases. G:C-C:G transversions are caused by various oxidative stresses. 2,2,4-Triamino-5(2H-oxazolone (Oz, guanidinohydantoin (Gh/iminoallantoin (Ia and spiro-imino-dihydantoin (Sp are known products of oxidative guanine damage. These damaged bases can base pair with guanine and cause G:C-C:G transversions. In this study, the stabilization energies of these bases paired with guanine were calculated in vacuo and in water. The calculated stabilization energies of the Ia:G base pairs were similar to that of the native C:G base pair, and both bases pairs have three hydrogen bonds. By contrast, the calculated stabilization energies of Gh:G, which form two hydrogen bonds, were lower than the Ia:G base pairs, suggesting that the stabilization energy depends on the number of hydrogen bonds. In addition, the Sp:G base pairs were less stable than the Ia:G base pairs. Furthermore, calculations showed that the Oz:G base pairs were less stable than the Ia:G, Gh:G and Sp:G base pairs, even though experimental results showed that incorporation of guanine opposite Oz is more efficient than that opposite Gh/Ia and Sp.
Energy Technology Data Exchange (ETDEWEB)
Jannik, Tim [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Stagich, Brooke [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)
2015-08-28
The U.S. Environmental Protection Agency (EPA) requested an external, independent verification study of their updated “Preliminary Remediation Goals for Radionuclides” (PRG) electronic calculator. The calculator provides PRGs for radionuclides that are used as a screening tool at Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) and Resource Conservation and Recovery Act (RCRA) sites. These risk-based PRGs establish concentration limits under specific exposure scenarios. The purpose of this verification study is to determine that the calculator has no inherit numerical problems with obtaining solutions as well as to ensure that the equations are programmed correctly. There are 167 equations used in the calculator. To verify the calculator, all equations for each of seven receptor types (resident, construction worker, outdoor and indoor worker, recreator, farmer, and composite worker) were hand calculated using the default parameters. The same four radionuclides (Am-241, Co-60, H-3, and Pu-238) were used for each calculation for consistency throughout.
Xu, C.; Li, Q.; Liu, C. M.; Duan, M. Y.; Wang, H. K.
2016-05-01
First-principles calculations are employed to investigate the structural and elastic properties, formation enthalpies and chemical bonding features as well as hardness values of chromium tetraboride (CrB4) with different structures. The lattice parameters, Poisson’s ratio and B/G ratio are also derived. Our calculations indicate that the orthorhombic structure with Pnnm symmetry is the most energetically stable one for CrB4. Except for WB4P63/mmc structure with imaginary frequencies, another six new structures are investigated through the full phonon dispersion calculations. Their mechanical and thermodynamic stabilities are also studied by calculating the elastic constants and formation enthalpies. Our calculations show that the thermodynamic stabilities of all these CrB4 phases can be enhanced under high pressure. The large shear moduli, Young’s moduli and hardness values indicate that these CrB4 phases are potential hard materials. Analyses of the densities of states (DOSs) and electron localization functions (ELFs) provide further understandings of the chemical and physical properties of these CrB4 phases. It is observed that the large occupations and high strengths of the B-B covalent bonds are important for the stabilities, incompressibility and hardnesses of these CrB4 phases.
Fino, Peter C
2016-06-14
Concussed individuals commonly exhibit locomotor deficits during dual-task gait that can last substantially longer than clinical signs and symptoms. Previous studies have examined traditional stability measures, but nonlinear stability may offer further information about the health of the motor control system post-concussion. For up to one year post-concussion, this study longitudinally examined the local dynamic stability of five concussed athletes and four matched healthy controls during single- and dual-task gait. Local dynamic stability (LDS) was estimated using short-term, finite-time maximum Lyapunov exponents calculated from tri-axial accelerometers placed on the trunk and head. No main effects of group or task were found for LDS or stride time variability, but significant group*task interactions were apparent for trunk stability and stride time variability. Concussed individuals exhibited decreased trunk LDS and increased stride time variability during dual-task walking compared to matched controls despite similar single-task stability and variability. These preliminary results reinforce previous reports that concussions persistently affect dual-task processes even when single-tasks may be unaffected. Furthermore, the decreased local dynamic stability during dual-task gait indicates the concussed group attenuated local disturbances less than their healthy teammates. The decreased dynamic stability during dual-task activities was present after the athletes were cleared for competition and may be a contributing factor in the higher rates of musculoskeletal injuries in athletes post-concussion.
Calculation of Flexible Bus-Bars Electrodynamic Stability with Application of Implicit Scheme
Directory of Open Access Journals (Sweden)
Y. G. Panamarenka
2008-01-01
Full Text Available A numerical method for calculation of open-air substations’ flexible bus-bars dynamic at short-circuit has been improved on equations of a flexible elastic string with application of an implicit scheme. On the basis of the numerical method a computer program FLEBUS for calculation of substations’ flexible bus-bars dynamic at short-circuit has been developed. An approbation and an estimation of calculation result reliability have been carried out in accordance with the program while using experimental data. On the basis of the obtained information it is possible to assert that the developed program is an independent tool for calculation of electrodynamic stability of substations’ flexible bus-bars.
Li, Xinting; Zhang, Xinyu; Qin, Jiaqian; Zhang, Suhong; Ning, Jinliang; Jing, Ran; Ma, Mingzhen; Liu, Riping
2014-11-01
The structural stability and mechanical properties of WC in WC-, MoC- and NaCl-type structures under high pressure are investigated systematically by first-principles calculations. The calculated equilibrium lattice constants at zero pressure agree well with available experimental and theoretical results. The formation enthalpy indicates that the most stable WC is in WC-type, then MoC-type finally NaCl-type. By the elastic stability criteria, it is predicted that the three structures are all mechanically stable. The elastic constants Cij, bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio ν of the three structures are studied in the pressure range from 0 to 100 GPa. Furthermore, by analyzing the B/G ratio, the brittle/ductile behavior under high pressure is assessed. Moreover, the elastic anisotropy of the three structures up to 100 GPa is also discussed in detail.
Energy Technology Data Exchange (ETDEWEB)
Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.
2015-03-01
We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. These results could serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.
A steady-state solver and stability calculator for nonlinear internal wave flows
Viner, Kevin C.; Epifanio, Craig C.; Doyle, James D.
2013-10-01
A steady solver and stability calculator is presented for the problem of nonlinear internal gravity waves forced by topography. Steady-state solutions are obtained using Newton's method, as applied to a finite-difference discretization in terrain-following coordinates. The iteration is initialized using a boundary-inflation scheme, in which the nonlinearity of the flow is gradually increased over the first few Newton steps. The resulting method is shown to be robust over the full range of nonhydrostatic and rotating parameter space. Examples are given for both nonhydrostatic and rotating flows, as well as flows with realistic upstream shear and static stability profiles. With a modest extension, the solver also allows for a linear stability analysis of the steady-state wave fields. Unstable modes are computed using a shifted-inverse method, combined with a parameter-space search over a set of realistic target values. An example is given showing resonant instability in a nonhydrostatic mountain wave.
New Systematic CFD Methods to Calculate Static and Single Dynamic Stability Derivatives of Aircraft
Directory of Open Access Journals (Sweden)
Bai-gang Mi
2017-01-01
Full Text Available Several new systematic methods for high fidelity and reliability calculation of static and single dynamic derivatives are proposed in this paper. Angle of attack step response is used to obtain static derivative directly; then translation acceleration dynamic derivative and rotary dynamic derivative can be calculated by employing the step response motion of rate of the angle of attack and unsteady motion of pitching angular velocity step response, respectively. Longitudinal stability derivative calculations of SACCON UCAV are taken as test cases for validation. Numerical results of all cases achieve good agreement with reference values or experiments data from wind tunnel, which indicate that the proposed methods can be considered as new tools in the process of design and production of advanced aircrafts for their high efficiency and precision.
Stabilization of Pb and Cu in contaminated soils using (nano)oxides - a preliminary study
Komárek, Michael; Michálková, Zuzana; Vaněk, Aleš
2013-04-01
immobilization of Cu and Pb occurred as well. The stabilization of Pb was less pronounced due to its already low mobility/availability in the soil. This preliminary study highlighted the need for various extraction and soil solution tests to evaluate the efficiency of novel amendments. More contrasting soil types will also need to be studied in order to assess the interactions between the reactive (nano)oxides and soil components (e.g., SOM).
Energy Technology Data Exchange (ETDEWEB)
Maheras, Steven J.; Best, Ralph; Ross, Steven B.; Lahti, Erik A.; Richmond, David J.
2012-08-01
This report contains a preliminary evaluation of potential fill materials that could be used to fill void spaces in and around used nuclear fuel contained in dry storage canisters in order to stabilize the geometry and mechanical structure of the used nuclear fuel during extended storage and transportation after extended storage. Previous work is summarized, conceptual descriptions of how canisters might be filled were developed, and requirements for potential fill materials were developed. Elements of the requirements included criticality avoidance, heat transfer or thermodynamic properties, homogeneity and rheological properties, retrievability, material availability and cost, weight and radiation shielding, and operational considerations. Potential fill materials were grouped into 5 categories and their properties, advantages, disadvantages, and requirements for future testing were discussed. The categories were molten materials, which included molten metals and paraffin; particulates and beads; resins; foams; and grout. Based on this analysis, further development of fill materials to stabilize used nuclear fuel during storage and transportation is not recommended unless options such as showing that the fuel remains intact or canning of used nuclear fuel do not prove to be feasible.
Narang, P K; Bird, G; Crouthamel, W G
1980-12-01
A high-performance liquid chromatographic assay was developed that separates and quantitates benzocaine and its primary degradation product, p-aminobenzoic acid. This method is rapid, sensitive, and specific. Preliminary stability data obtained with this method demonstrate its utility for this purpose.
Stability and Strength of Atomically Thin Borophene from First Principles Calculations
Peng, Bo; Shao, Hezhu; Ning, Zeyu; Xu, Yuanfeng; Lu, Hongliang; Zhang, David Wei; Zhu, Heyuan
2016-01-01
A new two-dimensional (2D) material, borophene (2D boron sheet), has been grown successfully recently on single crystal Ag substrates by two parallel experiments [Mannix \\textit{et al., Science}, 2015, \\textbf{350}, 1513] [Feng \\textit{et al., Nature Chemistry}, 2016, \\textbf{advance online publication}]. Three main structures have been proposed ($\\beta_{12}$, $\\chi_3$ and striped borophene). However, the stability of three structures is still in debate. Using first principles calculations, we examine the dynamical, thermodynamical and mechanical stability of $\\beta_{12}$, $\\chi_3$ and striped borophene. Free-standing $\\beta_{12}$ and $\\chi_3$ borophene is dynamically, thermodynamically, and mechanically stable, while striped borophene is dynamically and thermodynamically unstable due to high stiffness along $a$ direction. The origin of high stiffness and high instability in striped borophene along $a$ direction can both be attributed to strong directional bonding. This work provides a benchmark for examining...
Method for stability analysis based on the Floquet theory and Vidyn calculations
Energy Technology Data Exchange (ETDEWEB)
Ganander, Hans
2005-03-01
This report presents the activity 3.7 of the STEM-project Aerobig and deals with aeroelastic stability of the complete wind turbine structure at operation. As a consequence of the increase of sizes of wind turbines dynamic couplings are being more important for loads and dynamic properties. The steady ambition to increase the cost competitiveness of wind turbine energy by using optimisation methods lowers design margins, which in turn makes questions about stability of the turbines more important. The main objective of the project is to develop a general stability analysis tool, based on the VIDYN methodology regarding the turbine dynamic equations and the Floquet theory for the stability analysis. The reason for selecting the Floquet theory is that it is independent of number of blades, thus can be used for 2 as well as 3 bladed turbines. Although the latter ones are dominating on the market, the former has large potential when talking about offshore large turbines. The fact that cyclic and individual blade pitch controls are being developed as a mean for reduction of fatigue also speaks for general methods as Floquet. The first step of a general system for stability analysis has been developed, the code VIDSTAB. Together with other methods, as the snap shot method, the Coleman transformation and the use of Fourier series, eigenfrequences and modes can be analysed. It is general with no restrictions on the number of blades nor the symmetry of the rotor. The derivatives of the aerodynamic forces are calculated numerically in this first version. Later versions would include state space formulations of these forces. This would also be the case for the controllers of turbine rotation speed, yaw direction and pitch angle.
Energy Technology Data Exchange (ETDEWEB)
Lehoucq, Richard B.; Salinger, Andrew G.
1999-08-01
We present an approach for determining the linear stability of steady states of PDEs on massively parallel computers. Linearizing the transient behavior around a steady state leads to a generalized eigenvalue problem. The eigenvalues with largest real part are calculated using Arnoldi's iteration driven by a novel implementation of the Cayley transformation to recast the problem as an ordinary eigenvalue problem. The Cayley transformation requires the solution of a linear system at each Arnoldi iteration, which must be done iteratively for the algorithm to scale with problem size. A representative model problem of 3D incompressible flow and heat transfer in a rotating disk reactor is used to analyze the effect of algorithmic parameters on the performance of the eigenvalue algorithm. Successful calculations of leading eigenvalues for matrix systems of order up to 4 million were performed, identifying the critical Grashof number for a Hopf bifurcation.
Kobayashi, Ryoji; Maekawa, Kazuo; Shimomura, Kimihiko; Sasaki, Takashi; Kowada, Yasuyuki; Maeda, Toru
A new Autonomous Stabilizing Controller (ASC) has been developed, which is based on the concept of using only locall information measured at the substation where ASC is installed. ASC prevents the power system from wide-area blackout by shedding generators optimally when a serious fault occurs in 154kV-or-below-voltage power system and is cleared by backup relay. ASC consists of three functions, a function of detecting faults and judging of starting stability calculations (The first function), a function of calculating power system stability (The second function), and a function of selecting optimal generators to be shed (The third function). The first function composes a signal for starting stability calculations when a fault cleared by backup relay is detected. According to the starting signal composed by the first function, the second function executes stability calculations based on equal area criterion. If the result of stability calculations is instable, the third function selects a generator to be shed by considering not only the stabilizing effect but also the quickly restoration after shedding. This paper presents total algorithms applied in ASC.
Institute of Scientific and Technical Information of China (English)
JIA Yu-hua; SUN Peng-fei
2012-01-01
Background There has been some controversy related to the use of the Wallis system,rather than disc fusion in the treatment of patients with degenerative spine disease.Furthermore,there are no reports concerning the application of this dynamic stabilization system in Chinese patients,who have a slightly different lifestyle with Western patients.The aim of this study was to assess the safety and efficacy of the dynamic stabilization system in the treatment of degenerative spinal diseases in Chinese patients.Methods The clinical outcomes of 20 patients with lumbar degenerative disease treated by posterior decompression with the Wallis posterior dynamic lumbar stabilization implant were studied.All of the patients completed the visual analogue scale and the Chinese version of the Oswestry Disability Index.The following radiologic parameters were measured in all patients:global lordotic angles and segmental lordotic angles (stabilized segments,above and below adjacent segments).The range of motion was then calculated.Results Nineteen patients (95％) were available for follow-up.The mean follow-up period was (27.25±5.16) months (range 16-35 months).The visual analogue scale decreased from 8.55±1.21 to 2.20±1.70 (P ＜0.001),and the mean score on the Chinese version of the Oswestry Disability Index was improved from 79.58％±15.93％ to 22.17％±17.24％ (P ＜0.001).No significant changes were seen in the range of motion at the stabilized segments (P=0.502) and adjacent segments (above,P=0.453; below,P=0.062).The good to excellent result was 94.4％ at the latest follow-up.No complications related to the use of the Wallis posterior dynamic lumbar stabilization occurred.Conclusions It was found to be both easy and safe to use the Wallis posterior dynamic lumbar stabilization implant in the treatment of degenerative lumbar disease,and the early therapeutic effectiveness is good.The Wallis system provides an alternative method for the treatment of lumbar degenerative
SU-C-204-03: DFT Calculations of the Stability of DOTA-Based-Radiopharmaceuticals
Energy Technology Data Exchange (ETDEWEB)
Khabibullin, A.R.; Woods, L.M. [University of South Florida, Tampa, Florida (United States); Karolak, A.; Budzevich, M.M.; Martinez, M.V. [H. Lee Moffitt Cancer Center and Research Institute, Tampa, Florida (United States); McLaughlin, M.L.; Morse, D.L. [University of South Florida, Tampa, Florida (United States); H. Lee Moffitt Cancer Center and Research Institute, Tampa, Florida (United States)
2016-06-15
Purpose: Application of the density function theory (DFT) to investigate the structural stability of complexes applied in cancer therapy consisting of the 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) chelated to Ac225, Fr221, At217, Bi213, and Gd68 radio-nuclei. Methods: The possibility to deliver a toxic payload directly to tumor cells is a highly desirable aim in targeted alpha particle therapy. The estimation of bond stability between radioactive atoms and the DOTA chelating agent is the key element in understanding the foundations of this delivery process. Thus, we adapted the Vienna Ab-initio Simulation Package (VASP) with the projector-augmented wave method and a plane-wave basis set in order to study the stability and electronic properties of DOTA ligand chelated to radioactive isotopes. In order to count for the relativistic effect of radioactive isotopes we included Spin-Orbit Coupling (SOC) in the DFT calculations. Five DOTA complex structures were represented as unit cells, each containing 58 atoms. The energy optimization was performed for all structures prior to calculations of electronic properties. Binding energies, electron localization functions as well as bond lengths between atoms were estimated. Results: Calculated binding energies for DOTA-radioactive atom systems were −17.792, −5.784, −8.872, −13.305, −18.467 eV for Ac, Fr, At, Bi and Gd complexes respectively. The displacements of isotopes in DOTA cages were estimated from the variations in bond lengths, which were within 2.32–3.75 angstroms. The detailed representation of chemical bonding in all complexes was obtained with the Electron Localization Function (ELF). Conclusion: DOTA-Gd, DOTA-Ac and DOTA-Bi were the most stable structures in the group. Inclusion of SOC had a significant role in the improvement of DFT calculation accuracy for heavy radioactive atoms. Our approach is found to be proper for the investigation of structures with DOTA
Study of the thermal stability of studtite by in situ Raman spectroscopy and DFT calculations
Colmenero, Francisco; Bonales, Laura J.; Cobos, Joaquín; Timón, Vicente
2017-03-01
The design of a safe spent nuclear fuel repository requires the knowledge of the stability of the secondary phases which precipitate when water reaches the fuel surface. Studtite is recognized as one of the secondary phases that play a key-role in the mobilization of the radionuclides contained in the spent fuel. Thereby, it has been identified as a product formed under oxidation conditions at the surface of the fuel, and recently found as a corrosion product in the Fukushima-Daiichi nuclear plant accident. Thermal stability is one of the properties that should be determined due to the high temperature of the fuel. In this work we report a detailed analysis of the structure and thermal stability of studtite. The structure has been studied both by experimental techniques (SEM, TGA, XRD and Raman spectroscopy) and theoretical DFT electronic structure and spectroscopic calculations. The comparison of the results allows us to perform for the first time the Raman bands assignment of the whole spectrum. The thermal stability of studtite has been analyzed by in situ Raman spectroscopy, with the aim of studying the effect of the heating rate and the presence of water. For this purpose, a new cell has been designed. The results show that studtite is stable under dry conditions only at temperatures below 30 °C, in contrast with the higher temperatures published up to date ( 130 °C). Opposite behaviour has been found when studtite is in contact with water; under these conditions studtite is stable up to 90 °C, what is consistent with the encounter of this phase after the Fukushima-Daiichi accident.
Institute of Scientific and Technical Information of China (English)
Marcin Pietrzykowski; Wojciech Krzaklewski; Bartłomiej Wos´
2015-01-01
This paper presents preliminary assessment of seedling survival and growth of green alder (Alnus viridis (Chaix) DC. in Lam. & DC.) planted on fly ash disposal sites. This kind of post-industrial site is extremely hard to biologically stabilize without top-soiling. The experiment started with surface preparation using NPK start-up mineral fertilizer at 60–36–36 kg ha-1 followed by initial stabil-ization through hydro-seeding with biosolids (sewage sludge 4 Mg ha-1 dry mass) and a mixture of grasses (Dactylis glomerata L. and Lolium multiflorum Lam.) (200 kg ha-1). Subsequently, three-years-old green alder seedlings were planted in plots on two substrate variants:the control (directly on combustion waste) and plots with 3 dm3 lignite culm from a nearby mine introduced into the planting pit. Five years of preliminary monitoring show good survival seedling rates and growth parameters (height (h), average increase in height (△h), number of shoots (Lo) and leaf nitrogen supply in the fly ash disposal habitat. Treatment of the site with a combination of lignite culm in planting pits and preliminary surface preparation by hydro-seeding and mineral fertilization had the most positive effect on green alder seedling parameters. The results indicate that it is possible and beneficial to use green alder for biological stabilization on fly ash disposal sites.
First-principles calculations of BC{sub 4}N nanostructures: stability and electronic structure
Energy Technology Data Exchange (ETDEWEB)
Freitas, A.; Azevedo, S. [Universidade Federal da Paraiba, CCEN, Departamento de Fisica, Joao Pessoa, PB (Brazil); Machado, M. [Universidade Federal de Pelotas, Departamento de Fisica, Pelotas, RS (Brazil); Kaschny, J.R. [Instituto Federal da Bahia-Campus Vitoria da Conquista, Vitoria da Conquista, BA (Brazil)
2012-07-15
In this work, we apply first-principles methods to investigate the stability and electronic structure of BC{sub 4}N nanostructures which were constructed from hexagonal graphite layers where substitutional nitrogen and boron atoms are placed at specific sites. These layers were rolled up to form zigzag and armchair nanotubes, with diameters varying from 7 to 12 A, or cut and bent to form nanocones, with 60 and 120 disclination angles. The calculation results indicate that the most stable structures are the ones which maximize the number of B-N and C-C bonds. It is found that the zigzag nanotubes are more stable than the armchair ones, where the strain energy decreases with increasing tube diameter D, following a 1/D {sup 2} law. The results show that the 60 disclination nanocones are the most stable ones. Additionally, the calculated electronic properties indicate a semiconducting behavior for all calculated structures, which is intermediate to the typical behaviors found for hexagonal boron nitride and graphene. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Fayet, Guillaume [Laboratoire d' Electrochimie et Chimie Analytique, CNRS UMR-7575, Ecole Nationale Superieure de Chimie de Paris, 11 rue P. et M. Curie, 75231 Paris Cedex 05 (France); Institut National de l' Environnement Industriel et des Risques (INERIS), Parc Technologique Alata, BP2, 60550 Verneuil-en-Halatte (France); Rotureau, Patricia, E-mail: patricia.rotureau@ineris.fr [Institut National de l' Environnement Industriel et des Risques (INERIS), Parc Technologique Alata, BP2, 60550 Verneuil-en-Halatte (France); Joubert, Laurent; Adamo, Carlo [Laboratoire d' Electrochimie et Chimie Analytique, CNRS UMR-7575, Ecole Nationale Superieure de Chimie de Paris, 11 rue P. et M. Curie, 75231 Paris Cedex 05 (France)
2009-11-15
This work presents a new approach to predict thermal stability of nitroaromatic compounds based on quantum chemical calculations and on quantitative structure-property relationship (QSPR) methods. The data set consists of 22 nitroaromatic compounds of known decomposition enthalpy (taken as a macroscopic property related to explosibility) obtained from differential scanning calorimetry. Geometric, electronic and energetic descriptors have been selected and computed using density functional theory (DFT) calculation to describe the 22 molecules. First approach consisted in looking at their linear correlations with the experimental decomposition enthalpy. Molecular weight, electrophilicity index, electron affinity and oxygen balance appeared as the most correlated descriptors (respectively R{sup 2} = 0.76, 0.75, 0.71 and 0.64). Then multilinear regression was computed with these descriptors. The obtained model is a six-parameter equation containing descriptors all issued from quantum chemical calculations. The prediction is satisfactory with a correlation coefficient R{sup 2} of 0.91 and a predictivity coefficient R{sub cv}{sup 2} of 0.84 using a cross validation method.
Energy Technology Data Exchange (ETDEWEB)
Baguena, A.; Shaw, M.; Williart, A. [Universidad Nacional de Educacion a Distancia, Dpto. Fisica de los Materiales, Madrid (Spain); Baguena, A. [Consejo de Seguridad Nuclear, Madrid (Spain); Garcia, G. [Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Madrid (Spain)
2006-07-01
We describe the calculations and preliminary measures made for the installation of a X-ray generator tube. This device is going to be used for the secondary electron production from photonic primary radiation of up to 125 keV. With this experimental system, we will study the energetic and space distribution of produced secondary electrons by obtaining its spectrum of energies and its angular distribution. This method of measurement is going to be applied in different targets of radiological, environmental and biological interest. Calculations in the present article include: theoretical yield of X-rays production of the designed equipment, necessary shielding for the radiological safety of the installation staff, and an estimated dose due to their use. Characteristics of the installation and the equipment are described with this purpose. (author)
Institute of Scientific and Technical Information of China (English)
LI Hai-peng; LI Fang; GUAN Kai; ZHAO Guang-ming; SHAN Jian-lin; SUN Tian-sheng
2013-01-01
Background Dynesys dynamic stabilization system was first implanted in patients in 1994,and introduced to China in 2007.Therefore,it was a new technique for Chinese orthopedics and hence necessary to collect clinical data about Dynesys in China.The objective of this study was to report the preliminary results of Dynesys for the lumbar degenerative disease in China.Methods Twenty-seven patients were treated with the Dynesys between July 2007 and January 2009.The diagnosis included degenerative spondylolisthesis (12 cases),degenerative spinal stenosis (nine cases),and lumbar intervertebral disc herniation (six cases).Back pain and leg pain were evaluated using 100-mm visual analog scales (VAS).The Oswestry Disability Index (ODI) was used to evaluate the patients' function.The intervertebral disc height and range of motion at the operative level were taken on radiographs.Results All the patients were followed-up,with an average of (22.40±4.23) months (range 15-32 months).VAS of back pain and leg pain were improved significantly (P ＜0.05) at follow-up.The ODI scores were reduced from (62.58±12.01)％preoperatively to (15.01±5.71)％ at follow-up (P ＜0.05).The preoperative mean height of the intervertebral disc was (11.21±1.58) mm (range 8.5-13.8 mm) and mean was (10.10±1.78) mm (range 7.0-13.4 mm) at follow-up (P ＜0.05).The mean range of motion of the implanted segment was (6.00±1.79)° (range 2.5-9.3°) preoperatively and (5.47±1.27)°(range 2.9-7.8°) at follow-up (P=0.11).Conclusions The preliminary results of Dynesys for the lumbar degenerative disease in China are similar to the published results of other countries.It can significantly improve the clinic symptoms and preserved motion at the level of implantation.However,the long-term follow-up data need to be collected.
Stability and hydrogen adsorption properties of Mg/TiMn2 interface by first principles calculation
Dai, J. H.; Jiang, X. W.; Song, Y.
2016-11-01
First principles calculations were carried out to study the stability and hydrogen adsorption properties of Mg/TiMn2 interface. The surface stability and hydrogen adsorption of TiMn2 were explored. The Mn terminated (001) is the most stable surface among the considered surfaces of TiMn2 and TiMn2 surface shows better hydrogen adsorption ability than the pure Mg surface. Two models coupling the Mg(0001) surface and the TiMn2(001) surface with different terminations were constructed to explore the Mg/TiMn2 interface. The Mg(0001)/Mn terminated TiMn2(001) with interface is much more stable than that of Ti terminated system. These two interfaces both show good hydrogen adsorption ability, in which the Mn terminated interface shows - 1.62 eV of hydrogen adsorption energy. The electronic structures of the considered systems are evaluated. The negative adsorption energies of hydrogen on the surface and interface systems are further explained by the analysis of the density of states.
The effect of walking speed on local dynamic stability is sensitive to calculation methods
DEFF Research Database (Denmark)
Stenum, Jan; Bruijn, Sjoerd M; Jensen, Bente Rona
2014-01-01
Local dynamic stability has been assessed by the short-term local divergence exponent (λS), which quantifies the average rate of logarithmic divergence of infinitesimally close trajectories in state space. Both increased and decreased local dynamic stability at faster walking speeds have been......% and 140% of preferred walking speed) for 3min each, while upper body accelerations in three directions were sampled. From these time-series, λS was calculated by three different methods using: (a) a fixed time interval and expressed as logarithmic divergence per stride-time (λS-a), (b) a fixed number...... of strides and expressed as logarithmic divergence per time (λS-b) and (c) a fixed number of strides and expressed as logarithmic divergence per stride-time (λS-c). Mean preferred walking speed was 1.16±0.09m/s. There was only a minor effect of walking speed on λS-a. λS-b increased with increasing walking...
Preliminary Study on the Calculation Method of “Carbon Footprint”
Institute of Scientific and Technical Information of China (English)
无
2011-01-01
At present, greenhouse effect has become a severe challenge of international society. In order to cope with this challenge, countries all over the world reached an agreement to develop low-carbon economy and create low-carbon society. As a new concept, "carbon footprint" emerged with the vigorous development of low-carbon economy, and its calculation method is related to the evaluation system of low carbon economy. In order to calculate "carbon footprint", "carbon subject" in the study was divided into ener...
Energy Technology Data Exchange (ETDEWEB)
Davidson, S; Followill, D; Ibbott, G [University of Texas M. D. Anderson Cancer Center, Houston, TX (United States); Cui, J; Deasy, J [Washington University, St. Louis, MO (United States)], E-mail: sedavids@mdanderson.org
2008-02-01
The Dose Planning Method (DPM) is one of several 'fast' Monte Carlo (MC) computer codes designed to produce an accurate dose calculation for advanced clinical applications. We have developed a flexible machine modeling process and validation tests for open-field and IMRT calculations. To complement the DPM code, a practical and versatile source model has been developed, whose parameters are derived from a standard set of planning system commissioning measurements. The primary photon spectrum and the spectrum resulting from the flattening filter are modeled by a Fatigue function, cut-off by a multiplying Fermi function, which effectively regularizes the difficult energy spectrum determination process. Commonly-used functions are applied to represent the off-axis softening, increasing primary fluence with increasing angle ('the horn effect'), and electron contamination. The patient dependent aspect of the MC dose calculation utilizes the multi-leaf collimator (MLC) leaf sequence file exported from the treatment planning system DICOM output, coupled with the source model, to derive the particle transport. This model has been commissioned for Varian 2100C 6 MV and 18 MV photon beams using percent depth dose, dose profiles, and output factors. A 3-D conformal plan and an IMRT plan delivered to an anthropomorphic thorax phantom were used to benchmark the model. The calculated results were compared to Pinnacle v7.6c results and measurements made using radiochromic film and thermoluminescent detectors (TLD)
Davidson, S.; Cui, J.; Followill, D.; Ibbott, G.; Deasy, J.
2008-02-01
The Dose Planning Method (DPM) is one of several 'fast' Monte Carlo (MC) computer codes designed to produce an accurate dose calculation for advanced clinical applications. We have developed a flexible machine modeling process and validation tests for open-field and IMRT calculations. To complement the DPM code, a practical and versatile source model has been developed, whose parameters are derived from a standard set of planning system commissioning measurements. The primary photon spectrum and the spectrum resulting from the flattening filter are modeled by a Fatigue function, cut-off by a multiplying Fermi function, which effectively regularizes the difficult energy spectrum determination process. Commonly-used functions are applied to represent the off-axis softening, increasing primary fluence with increasing angle ('the horn effect'), and electron contamination. The patient dependent aspect of the MC dose calculation utilizes the multi-leaf collimator (MLC) leaf sequence file exported from the treatment planning system DICOM output, coupled with the source model, to derive the particle transport. This model has been commissioned for Varian 2100C 6 MV and 18 MV photon beams using percent depth dose, dose profiles, and output factors. A 3-D conformal plan and an IMRT plan delivered to an anthropomorphic thorax phantom were used to benchmark the model. The calculated results were compared to Pinnacle v7.6c results and measurements made using radiochromic film and thermoluminescent detectors (TLD).
Institute of Scientific and Technical Information of China (English)
CHE XingLai; LI diaHao; DAI Ye; LIU BaiXin
2009-01-01
The self-consistent electronic structure calculations were carried out with the accurate frozen-core full-potential projector augmented-wave method on 13 Ni-Pt intermetallic compounds of simple crys-talline structures, i.e. A15, D019, D03 and L12 Ni3Pt and NiPt3, and α-NiAs, B1, B2, L28, and L10 NiPt. The calculations reveal that the L12 Ni3Pt, L10 NiPt and L12 NiPt3 are energetically more stable than their respective competitive structures, indicating that the three structures may be formed in some appro-priate conditions. The obtained results match well with the experimental observation or other theory predictions. It is found that there is hybridization between Ni 3d and Pt 5d states, which may signifi-cantly affect the structural stability and magnetism of metastable Ni-Pt intermetallic compounds.
Ab initio calculation of structural stability, electronic and optical properties of Ag{sub 2}Se
Energy Technology Data Exchange (ETDEWEB)
Rameshkumar, S.; Jayalakshmi, V., E-mail: karthikajayam@yahoo.co.in [Department of Physics, SRM University, Ramapuram Campus, Chennai – 600089 (India); Jaiganesh, G. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam – 603102 (India); Palanivel, B. [Department of Physics, Pondicherry Engineering College, Puducherry – 605014 (India)
2015-06-24
The structural stability, electronic and optical properties of Ag{sub 2}Se compound is studied using ab initio packages. Ag{sub 2}Se is found to crystallize in orthorhombic structure with two different space groups i.e. P2{sub 1}2{sub 1}2{sub 1} (No. 19) and P222{sub 1} (No. 17). For this compound in these two space groups, the total energy has been computed as a function of volume. Our calculated results suggest that the P2{sub 1}2{sub 1}2{sub 1}–phase is more stable than that of the P222{sub 1}–phase. The band structure calculation show that Ag{sub 2}Se is semimetallic with an overlap of about 0.014 eV in P2{sub 1}2{sub 1}2{sub 1}–phase whereas is metallic in nature in P222{sub 1}–phase. Moreover, the optical properties including the dielectric function, energy loss spectrum are obtained and analysed.
Institute of Scientific and Technical Information of China (English)
无
2009-01-01
The self-consistent electronic structure calculations were carried out with the accurate frozen-core full-potential projector augmented-wave method on 13 Ni-Pt intermetallic compounds of simple crystalline structures,i.e. A15,D019,D03 and L12 Ni3Pt and NiPt3,and α-NiAs,B1,B2,L2a,and L10 NiPt. The calculations reveal that the L12 Ni3Pt,L10 NiPt and L12 NiPt3 are energetically more stable than their respective competitive structures,indicating that the three structures may be formed in some appropriate conditions. The obtained results match well with the experimental observation or other theory predictions. It is found that there is hybridization between Ni 3d and Pt 5d states,which may significantly affect the structural stability and magnetism of metastable Ni-Pt intermetallic compounds.
Luby, Alexandra O.; Breitner, Emily K.; Comfort, Kristen K.
2016-08-01
Due to their advantageous characteristics, gold nanoparticles (AuNPs) are being increasingly utilized in a vast array of biomedical applications. However, the efficacy of these procedures are highly dependent upon strong interactions between AuNPs and the surrounding environment. While the field of nanotechnology has grown exponentially, there is still much to be discovered with regards to the complex interactions between NPs and biological systems. One area of particular interest is the generation of a protein corona, which instantaneously forms when NPs encounter a protein-rich environment. Currently, the corona is viewed as an obstacle and has been identified as the cause for loss of application efficiency in physiological systems. To date, however, no study has explored if the protein corona could be designed and advantageously utilized to improve both NP behavior and application efficacy. Therefore, we sought to identify if the formation of a preliminary protein corona could modify both AuNP characteristics and association with the HaCaT cell model. In this study, a corona comprised solely of epidermal growth factor (EGF) was successfully formed around 10-nm AuNPs. These EGF-AuNPs demonstrated augmented particle stability, a modified corona composition, and increased deposition over stock AuNPs, while remaining biocompatible. Analysis of AuNP dosimetry was repeated under dynamic conditions, with lateral flow significantly disrupting deposition and the nano-cellular interface. Taken together, this study demonstrated the plausibility and potential of utilizing the protein corona as a means to influence NP behavior; however, fluid dynamics remains a major challenge to progressing NP dosimetry.
Preliminary Development of Thermal Power Calculation Code H-Power for a Supercritical Water Reactor
Directory of Open Access Journals (Sweden)
Fan Zhang
2014-01-01
Full Text Available SCWR (Supercritical Water Reactor is one of the promising Generation IV nuclear systems, which has higher thermal power efficiency than current pressurized water reactor. It is necessary to perform the thermal equilibrium and thermal power calculation for the conceptual design and further monitoring and calibration of the SCWR. One visual software named H-Power was developed to calculate thermal power and its uncertainty of SCWR, in which the advanced IAPWS-IF97 industrial formulation was used to calculate the thermodynamic properties of water and steam. The ISO-5167-4: 2003 standard was incorporated in the code as the basis of orifice plate to compute the flow rate. New heat balance model and uncertainty estimate have also been included in the code. In order to validate H-Power, an assessment was carried out by using data published by US and Qinshan Phase II. The results showed that H-Power was able to estimate the thermal power of SCWR.
de Jongh, A.; ten Broeke, E.
2014-01-01
Last November, the European Journal of Psychotraumatology published an interesting paper entitled "Treatment compliance and effectiveness in complex PTSD patients with co-morbid personality disorder undergoing stabilizing cognitive behavioral group treatment: a preliminary study". This article
Preliminary Calculations of Shutdown Dose Rate for the CTS Diagnostics System
DEFF Research Database (Denmark)
Klinkby, Esben Bryndt; Nonbøl, Erik; Lauritzen, Bent
2015-01-01
DTU and IST 2 are partners in the design of a collective Thomson Scattering (CTS) diagnostics for ITER through a contract with F4E. The CTS diagnostic utilizes probing radiation of ~60 GHz emitted into the plasma and, using a mirror, collects the scattered radiation by an array of receivers. Having...... a direct and unshielded view to the plasma, the first mirror will be subject to significant radiation and among the first tasks in the CTS design, is to determine whether the mirror will need active cooling. At present the CTS is in the conceptual design phase and the related neutronics calculations focus...
Kuś, Tomasz; Krylov, Anna I
2011-08-28
The charge-stabilization method is applied to double ionization potential equation-of-motion (EOM-DIP) calculations to stabilize unstable dianion reference functions. The auto-ionizing character of the dianionic reference states spoils the numeric performance of EOM-DIP limiting applications of this method. We demonstrate that reliable excitation energies can be computed by EOM-DIP using a stabilized resonance wave function instead of the lowest energy solution corresponding to the neutral + free electron(s) state of the system. The details of charge-stabilization procedure are discussed and illustrated by examples. The choice of optimal stabilizing Coulomb potential, which is strong enough to stabilize the dianion reference, yet, minimally perturbs the target states of the neutral, is the crux of the approach. Two algorithms of choosing optimal parameters of the stabilization potential are presented. One is based on the orbital energies, and another--on the basis set dependence of the total Hartree-Fock energy of the reference. Our benchmark calculations of the singlet-triplet energy gaps in several diradicals show a remarkable improvement of the EOM-DIP accuracy in problematic cases. Overall, the excitation energies in diradicals computed using the stabilized EOM-DIP are within 0.2 eV from the reference EOM spin-flip values.
Thermal stability of chemically denatured green fluorescent protein (GFP) A preliminary study
Energy Technology Data Exchange (ETDEWEB)
Nagy, Attila; Malnasi-Csizmadia, Andras; Somogyi, Bela; Lorinczy, Denes
2004-02-09
Green fluorescent protein (GFP) is a light emitter in the bioluminescence reaction of the jellyfish Aequorea victoria. The protein consist of 238 amino acids and produces green fluorescent light ({lambda}{sub max}=508 nm), when irradiated with near ultraviolet light. The fluorescence is due to the presence of chromophore consisting of an imidazolone ring, formed by a post-translational modification of the tripeptide -Ser{sup 65}-Tyr{sup 66}-Gly{sup 67}-, which buried into {beta}-barrel. GFP is extremely compact and heat stable molecule. In this work, we present data for the effect of chemical denaturing agent on the thermal stability of GFP. When denaturing agent is applied, global thermal stability and the melting point of the molecule is decreases, that can be monitored with differential scanning calorimetry. The results indicate, that in 1-6 M range of GuHCl the melting temperature is decreasing continuously from 83 to 38 deg. C. Interesting finding, that the calculated calorimetric enthalpy decreases with GuHCl concentration up to 3 M (5.6-0.2 kJ mol{sup -1}), but at 4 M it jumps to 8.4 and at greater concentration it is falling down to 1.1 kJ mol{sup -1}. First phenomena, i.e. the decrease of melting point with increasing GuHCl concentration can be easily explained by the effect of the extended chemical denaturation, when less and less amount of heat required to diminish the remaining hydrogen bonds in {beta}-barrel. The surprising increase of calorimetric enthalpy at 4 M concentration of GuHCl could be the consequence of a dimerization or a formation of stable complex between GFP and denaturing agent as well as a precipitation at an extreme GuHCl concentration. We are planning further experiments to elucidate fluorescent consequence of these processes.
Preliminary Calculation of the EROI for the Production of Gas in Russia
Directory of Open Access Journals (Sweden)
Roman Nogovitsyn
2014-09-01
Full Text Available Russia is one of the world’s largest producers of energy resources. Production of energy resources in Russia is profitable, both economically and in terms of the energy produced (as measured by EROI. At the present time, Russian oil and gas companies have a policy of energy saving, and data on energy consumption is given in annual reports. Based on these data, we can make the EROI calculation. In 2013, the EROI for the production, transportation and processing of gas for Open joint stock company (OJSC “Gazprom” was 79:1; for OJSC “NOVATEK”, 76:1; for OJSC “Yakutsk Fuel and Energy Company (YATEC”, only for production, 116:1. Currently, the situation in the oil and gas industry has come to a point when there is a need for the introduction of an energy audit.
Preliminary Analysis on Distribution Calculation of Elevator%电梯配电计算初析
Institute of Scientific and Technical Information of China (English)
谢宁
2014-01-01
以电机采用蜗轮蜗杆传动方式的一般电梯为例，提出电梯配电设计的功率应以满载时电功率转换为机械功率的传动功率为依据。对配置一般起重用（绕线转子异步）电动机为动力的曳引机的电梯主回路供电，提出配电计算思路。同时论述电动机铭牌功率和按需要系数法得出的功率，都不能真实反映电梯电功率和机械功率的能量关系。%A common elevator characterized in that the motor adopts worm-gear transmission is taken as an example, based on that the power of the elevator distribution design shall be the transmission power for converting the electrical power into the mechanical power under full load, a distribution calculation idea is proposed for power supply to the main circuit of the elevator with a general crane motor (asynchronous wound-rotor) as dynamic tractor. Besides, the rated power and the power calculated by demand factor method are discussed, both of which are unable to truly reflect the energy relationship between the electrical power and the mechanical power of the elevator.
Musharraf, Syed Ghulam; Ul Arfeen, Qamar; Ul Haq, Faraz; Khatoon, Aliya; Azher Ali, Rahat
2017-06-26
Methyltestosterone is a synthetic testosterone derivative commonly used for the treatment of testosterone deficiency in males and one the anabolic steroids whose use is banned by World Anti-Doping Agency (WADA). This study presents a simple, cost-effective and rapid stability-indicating assay for densitometric quantification of methyltestosterone in pharmaceutical formulation. The developed method employed pre-coated TLC plates with mobile phase hexane:acetone (6.5:3.5 v/v). Limit of detection and limit of quantitation were found to be 2.06 and 6.24 ng/spot, respectively. Stress degradation study of methyltestosterone was conducted by applying various stress conditions such as hydrolysis under acidic, basic and neutral conditions, heating in anhydrous conditions and exposure to light. Methyltestosterone was found to be susceptible to photodegradation, acidic and basic hydrolysis. Degraded products were well resolved with significantly different Rf values. Acid degraded product was identified as 17,17-dimethyl-18-norandrosta-4,13(14)-dien-3-one through spectroscopic methods. The reactivity of methyltestosterone under applied stress conditions was also explained by quantum chemical calculations. The developed method is found to be repeatable, selective and accurate for quantification of methyltestosterone and can be employed for routine analysis. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.
Energy Technology Data Exchange (ETDEWEB)
Maeta, Takahiro [Graduate School of System Engineering, Okayama Prefectural University, 111 Kuboki, Soja, Okayama 719-1197 (Japan); GlobalWafers Japan Co., Ltd., Higashikou, Seirou-machi, Kitakanbara-gun, Niigata 957-0197 (Japan); Sueoka, Koji [Department of Communication Engineering, Okayama Prefectural University, 111 Kuboki, Soja, Okayama 719-1197 (Japan)
2014-08-21
Ge-based substrates are being developed for applications in advanced nano-electronic devices because of their higher intrinsic carrier mobility than Si. The stability and diffusion mechanism of impurity atoms in Ge are not well known in contrast to those of Si. Systematic studies of the stable sites of 2nd to 6th row element impurity atoms in Ge crystal were undertaken with density functional theory (DFT) and compared with those in Si crystal. It was found that most of the impurity atoms in Ge were stable at substitutional sites, while transition metals in Si were stable at interstitial sites and the other impurity atoms in Si were stable at substitutional sites. Furthermore, DFT calculations were carried out to clarify the mechanism responsible for the diffusion of impurity atoms in Ge crystals. The diffusion mechanism for 3d transition metals in Ge was found to be an interstitial-substitutional diffusion mechanism, while in Si this was an interstitial diffusion mechanism. The diffusion barriers in the proposed diffusion mechanisms in Ge and Si were quantitatively verified by comparing them to the experimental values in the literature.
Energy Technology Data Exchange (ETDEWEB)
Wu, Hai-Ying; Zhou, Ping; Han, Xiang-Yu [Jiaotong Univ., Chongqing (China). School of Science; Chen, Ya-Hong [North Univ. of China, Taiyuan (China). Scholl of Chemical Engineering and Environment; Liu, Zi-Jiang [Lanzhou City Univ. (China). Dept. of Physics
2014-08-15
The structural, electronic, and mechanical stability properties of magnesium sulfide in different phases are presented using the plane wave pseudopotential method within the generalized gradient approximation. Eight different phases such as rocksalt (B1), zincblende (B3), wurtzite (B4), nickel arsenide (B8), cesium chloride (B2), PH{sub 4}I-type (B11), FeSi-type (B28), and MnP-type (B31) are considered in great detail. The calculated ground-state properties of these phases are consistent with available experimental and theoretical data. It is found that MgS in the B1 and B8 phases are indirect band gap materials, the B3, B4, B11, B28, and B31 phases are all direct gap materials, while the B2 phase displays the metallic character. The B1, B3, B4, B8, B28, and B31 phases are mechanically stable at ambient conditions, but the B2 and B11 phases are mechanically unstable under zero pressure and zero temperature.
Institute of Scientific and Technical Information of China (English)
陈之战; 施尔畏; 元如林; 郑燕青; 李汶军; 赵同荣
2003-01-01
Cuprite (Cu2O) particles are synthesized by hydrothermal method. Most crystalline particles have long column morphology. Particles which are regarded as assembling of the crystallites in definite directions are observed. The typical example is the particles formed by assembling six columns in three perpendicular directions. The cone surfaces are visible at the tops of the columns. The results revealed that the coalescence of the crystallites did happen under hydrothermal conditions in which the crystallite connected with other crystallite on certain structure compatible surfaces to form a crystalline particle with a special morphology. This phenomenon is called the second kind of coalescence. The Cu2O structure unit is determined by its crystal structure. It is concluded that the tetragonal prism and three tetragonal prism-like growth units are the favorable units after stability energy calculation was performed on different kinds of growth units. It is believed that the first kind of coalescence exists commonly. The second kind of coalescence is unlikely to occur for all crystallites under hydrothermal conditions. The occurrence is dependent on the crystal structure.
Preliminary study on CAD-based method of characteristics for neutron transport calculation
Chen, Zhen-Ping; Sun, Guang-Yao; Song, Jing; Hao, Li-Juan; Hu, Li-Qin; Wu, Yi-Can
2013-01-01
The method of characteristics (MOC) is widely used for neutron transport calculation in recent decades. However, the key problem determining whether MOC can be applied in highly heterogeneous geometry is how to combine an effective geometry modeling method with it. Most of the existing MOC codes conventionally describe the geometry model just by lines and arcs with extensive input data. Thus they have difficulty in geometry modeling and ray tracing for complicated geometries. In this study, a new method making use of a CAD-based automatic modeling tool MCAM which is a CAD/Image-based Automatic Modeling Program for Neutronics and Radiation Transport developed by FDS Team in China was introduced for geometry modeling and ray tracing of particle transport to remove those limitations. The diamond -difference scheme was applied to MOC to reduce the spatial discretization errors of the flat flux approximation. Based on MCAM and MOC, a new MOC code was developed and integrated into SuperMC system, whic h is a Super ...
Preliminary safety calculations to improve the design of Molten Salt Fast Reactor
Energy Technology Data Exchange (ETDEWEB)
Brovchenko, M.; Heuer, D.; Merle-Lucotte, E.; Allibert, M.; Capellan, N.; Ghetta, V.; Laureau, A. [LPSC, CNRS/IN2P3, Grenoble INP, 53,rue des Martyrs, 38026 Grenoble Cedex (France)
2012-07-01
Molten salt reactors are liquid fuel reactors so that they are flexible in operation but very different in the safety approach from solid fuel reactors. This study bears on the specific concept named Molten Salt Fast Reactor (MSFR). Since this new nuclear technology is in development, safety is an essential point to be considered all along the R and D studies. This paper presents the first step of the safety approach: the systematic description of the MSFR, limited here to the main systems surrounding the core. This systematic description is the basis on which we will be able to devise accidental scenarios. Thanks to the negative reactivity feedback coefficient, most accidental scenarios lead to reactor shut down. Because of the decay heat generated in the fuel salt, it must be cooled. After the description of the tools developed to calculate the residual heat, the different contributions are discussed in this study. The decay heat of fission products in the MSFR is evaluated to be low (3% of nominal power), mainly due to the reprocessing that transfers the fission products to the gas reprocessing unit. As a result, the contribution of the actinides is significant (0.5% of nominal power). The unprotected loss of heat sink transients are studied in this paper. It appears that slow transients are favorable (> 1 min) to minimize the temperature increase of the fuel salt. This work will be the basis of further safety studies as well as an essential parameter for the design of the draining system. (authors)
The complete quantum collapse scenario of 2+1 dust shell: Preliminary Calculations
Ortiz, L
2007-01-01
If we consider the gravitational collapse of a material object to a black hole, we would expect, for ranges of mass where a black hole would form, the following scenario. A large enough object would collapse classically until an event horizon forms, and to an external observer the object would be lost fom view. However, once the horizon has formed the black hole will begin to emit Hawking radiation and the hole will lose mass and the horizon will shrink. The final state of this process could be either a zero-mass "black hole" with consequent information loss, or some sort of "quantum remnant. A complete investigation of this process would require: 1) A complete and consistent theory of quantum gravity coupled to some kind of field that would provide the Hawking radiation (which could be the gravitational field itself --gravitons); 2) Some kind of definition of a "horizon" in this quantum gravity, and; 3) The calculational tools to achieve a description of the scenario. Lacking these, one may resort to toy mod...
Energy Technology Data Exchange (ETDEWEB)
Nakamura, Y.; Matsumoto, T.; Wakatani, M. [Kyoto Univ. (Japan). Plasma Physics Lab.; Galkin, S.A.; Drozdov, V.V.; Martynov, A.A.; Poshekhonov, Yu.Yu. [Keldysh Institute of Applied Mathematics, Moscow (Russian Federation); Ichiguchi, K. [National Institute for Fusion Science, Nagoya (Japan); Garcia, L. [Universidad Carlos III de Madrid (Spain); Carreras, B.A. [Oak Ridge National Lab., TN (United States)] [and others
1995-04-01
A particular configuration of the LHD stellarator with an unusually flat pressure profile has been chosen to be a test case for comparison of the MHD stability property predictions of different three-dimensional and averaged codes for the purpose of code comparison and validation. In particular, two relatively localized instabilities, the fastest growing modes with toroidal mode number n = 2 and n = 3 were studied using several different codes, with the good agreement that has been found providing justification for the use of any of them for equilibria of the type considered.
Jiang, Junhang; Zheng, Canhui; Zhu, Kongkai; Liu, Jia; Sun, Nannan; Wang, Chongqing; Jiang, Hualiang; Zhu, Ju; Luo, Cheng; Zhou, Youjun
2015-03-12
A potent combretastatin A-4 (CA-4) like tubulin polymerization inhibitor 22b was found with strong antitumor activity previously. However, it easily undergoes cis-trans isomerization under natural light, and the resulting decrease in activity limits its further applications. In this study, we used quantum chemistry calculations to explore the molecular basis of its instability. Aided by the calculations, two rounds of structural optimization of 22b were conducted. Accelerated quantitative light stability testing confirmed that the stability of these designed compounds was significantly improved as predicted. Among them, compounds 1 and 3b displayed more potent inhibitory activity on tumor cell growth than 22b. In addition, the potent in vivo antitumor activity of compound 1 was confirmed. Quantum chemistry calculations were used in the optimization of stilbene-like molecules, providing new insight into stilbenoid optimization and important implications for the future development of novel CA-4-like tubulin polymerization inhibitors.
Shimura, Takaaki; Jiao, Zhenjun; Shikazono, Naoki
2016-10-01
Degradation of Solid Oxide Fuel Cell (SOFC) anode during discharge operation and redox cycles operation were evaluated by three-dimensional electrochemical calculations using a Lattice Boltzmann method (LBM). Three dimensional microstructures were obtained by Focused Ion Beam Scanning Electron Microscopy (FIB-SEM) reconstruction. In the electrochemical calculations, changes in exchange current density and ionic conductivity of Yttria stabilized Zirconia (YSZ) during the operations were assumed and their values were calculated by fitting the calculated overpotential values to the experimental ones. Changes in triple phase boundary density calculated from the reconstructed microstructures were inconsistent with the gradual degradation observed during repeated redox-discharge cycles. Changes of the fitted exchange current density and YSZ ionic conductivity values in both discharge operation and redox cycle operation showed same tendency as the experimental results. Change in exchange current density or YSZ ionic conductivity should be considered as an essential factor which governs the cell performance change regardless of the redox treatment.
Bakker, D.J.; Vries, W. de
1996-01-01
Methodologies are described for calculating critical loads of persistent organic pollutants (POPs) for soils and surface waters. The various aspects which are discussed, are: environmental quality criteria, calculation methods, input data and the various sources of uncertainty. The calculation
Bentzien, Jörg; Hickey, Eugene R; Kemper, Raymond A; Brewer, Mark L; Dyekjaer, Jane D; East, Stephen P; Whittaker, Mark
2010-02-22
In this paper, we describe an in silico first principal approach to predict the mutagenic potential of primary aromatic amines. This approach is based on the so-called "nitrenium hypothesis", which was developed by Ford et al. in the early 1990s. This hypothesis asserts that the mutagenic effect for this class of molecules is mediated through the transient formation of a nitrenium ion and that the stability of this cation is correlated with the mutagenic potential. Here we use quantum mechanical calculations at different levels of theory (semiempirical AM1, ab initio HF/3-21G, HF/6-311G(d,p), and DFT/B3LYP/6-311G(d,p)) to compute the stability of nitrenium ions. When applied to a test set of 257 primary aromatic amines, we show that this method can correctly differentiate between Ames active and inactive compounds, and furthermore that it is able to rationalize and predict SAR trends within structurally related chemical series. For this test set, the AM1 nitrenium stability calculations are found to provide a good balance between speed and accuracy, resulting in an overall accuracy of 85%, and sensitivity and specificity of 91% and 72%, respectively. The nitrenium-based predictions are also compared to the commercial software packages DEREK, MULTICASE, and the MOE-Toxicophore descriptor. One advantage of the approach presented here is that the calculation of relative stabilities results in a continuous spectrum of activities and not a simple yes/no answer. This allows us to observe and rationalize subtle trends due to the different electrostatic properties of the organic molecules. Our results strongly indicate that nitrenium ion stability calculations should be used as a complementary approach to assist the medicinal chemist in prioritizing and selecting nonmutagenic primary aromatic amines during preclinical drug discovery programs.
Directory of Open Access Journals (Sweden)
Koritko N. N.
2009-06-01
Full Text Available The results of an optimization simulation of original manufacturing process and electric characteristics of stabilitrons with stabilizing voltage Ust=(6,5±0,5 V are presented. The flow of manufacturing process of simulated stabilitron includes the n+-type guard rings regions formation in the р-type substrate; the р–n-junction formation in the р-type substrate; intermediate oxide formation; metal deposition. The stabilizing voltage and differential resistance of the stabilitron voltage-current characteristic reverse branch values were received as the result of calculations at the normal, reduced and high temperature.
Energy Technology Data Exchange (ETDEWEB)
Gnirk, P.F.; Grams, W.H.; Zeller, T.J.; Ellis, D.B.; Pariseau, W.G.; Fossum, A.F.; Ratigan, J.L.; Hansen, F.D.
1975-04-14
Results of preliminary analysis of the stability of mines in salt formations underlying Eddy and Lea Counties in New Mexico are presented. Methods and equipment for drilling canister emplacement holes in these formations were evaluated along with methods for excavating storage areas and transport of the excavated salt. Progress during the period is reported in chapters on geological and rock properties at the repository site, preliminary mine layout, basic requirements for repository usage, excavation geometries, drill selection, excavation systems, and safety requirements. (JRD)
Directory of Open Access Journals (Sweden)
Żelazny Katarzyna
2015-01-01
Full Text Available During ship design, its service speed is one of the crucial parameters which decide on future economic effects. As sufficiently exact calculation methods applicable to preliminary design stage are lacking the so called contract speed which a ship reaches in calm water is usually applied. In the paper [11] a parametric method for calculation of total ship resistance in actual weather conditions (wind, waves, sea current, was presented. This paper presents a parametric model of ship propulsion system (screw propeller - propulsion engine as well as a calculation method, based on both models, of mean statistical value of ship service speed in seasonal weather conditions occurring on shipping lines. The method makes use of only basic design parameters and may be applied in preliminary design stage.
Energy Technology Data Exchange (ETDEWEB)
Georgiev, G.; Todorova, M.; Doneva, V.; Novachkov, N.; Nedyalkov, N.; Mitev, A.; Rachev, R.
1984-08-01
Major landslides are described which occurred in the basin between 1963 and 1970 during overburden removal and formation of spoil banks. Guidelines for the prevention of landslides were developed on the basis of large scale studies of geomechanics, geostatic calculations and geodetic observations of slope behavior; no further landslide has occurred since 1970. Cohesion coefficients, angle of internal friction and shear properties were determined for each material occurring in the clayey and sandy overburden and for the coal (ash content 15-55%). Slope stability of working benches and spoil banks at the Troyanovo mines was then calculated. 8 references.
Dynamic Stability of Passive Bipedal Walking on Rough Terrain:A Preliminary Simulation Study
Institute of Scientific and Technical Information of China (English)
Parsa Nassiri Afshar; Lei Ren
2012-01-01
A simplified 2D passive dynamic model was simulated to walk down on a rough slope surface defined by deterministic profiles to investigate how the walking stability changes with increasing surface roughness.Our results show that the passive walker can walk on rough surfaces subject to surface roughness up to approximately 0.1％ of its leg length.This indicates that bipedal walkers based on passive dynamics may possess some intrinsic stability to adapt to rough terrains although the maximum roughness they can tolerate is small.Orbital stability method was used to quantify the walking stability before the walker started to fall over.It was found that the average maximum Floquet multiplier increases with surface roughness in a non-linear form.Although the passive walker remained orbitally stable for all the simulation cases,the results suggest that the possibility of the bipedal model moving away from its limit cycle increases with the surface roughness if subjected to additional perturbations.The number of consecutive steps before falling was used to measure the walking stability after the passive walker started to fall over.The results show that the number of steps before falling decreases exponentially with the increase in surface roughness.When the roughness magnitude approached to 0.73％ of the walker's leg length,it fell down to the ground as soon as it entered into the uneven terrain.It was also found that shifting the phase angle of the surface profile has apparent affect on the system stability.This is probably because point contact was used to simulate the heel strikes and the resulted variations in system states at heel strikes may have pronounced impact on the passive gaits,which have narrow basins of attraction.These results would provide insight into how the dynamic stability of passive bipedal walkers evolves with increasing surface roughness.
Directory of Open Access Journals (Sweden)
Dalibor Petrović
2006-07-01
Full Text Available U ovom radu opisan je softver za proračun uzdužne statičke stabilnosti i upravljivosti aviona za osnovnu obuku pilota. Softver je urađen sa numerom da konstruktorima omogući brzo i lako dobijanje potrebnih rezultata vezanih za stabilnost i upravljivost kod preliminarnih proračuna vezanih za ovu vrstu aviona. Program je urađen na osnovu analize velikog broja aviona iz ove klase, a njegova tačnost je testirana na avionu "Lasta". Rezultati koji su dobijeni ovim softverom bili su više od zadovoljavajućih, s obzirom na to da se radi o programu koji bi se koristio za preliminarni proračun. / This document introduced software for calculation of an axial static stability and management of airplanes for basic pilot training. The purpose of this software is to provide a quicker and an easier way of getting results regarding preliminary calculation of stability and management for these types of airplanes. The program is based upon analysis of data gathered from a large number of tested airplanes of this class. The accuracy of the program has been tested on the airplane type 'Lasta' and results were more than satisfying, especially regarding the fact that the program is meant to be used for preliminary calculation.
Jones, Krista L.; Wallick, J. Rose; O'Connor, Jim E.; Keith, Mackenzie K.; Mangano, Joseph F.; Risley, John C.
2011-01-01
This preliminary assessment of (1) bed-material transport in the Hunter Creek basin, (2) historical changes in channel condition, and (3) supplementary data needed to inform permitting decisions regarding instream gravel extraction revealed the following: Along the lower 12.4 km (kilometers) of Hunter Creek from its confluence with the Little South Fork Hunter Creek to its mouth, the river has confined and unconfined segments and is predominately alluvial in its lowermost 11 km. This 12.4-km stretch of river can be divided into two geomorphically distinct study reaches based primarily on valley physiography. In the Upper Study Reach (river kilometer [RKM] 12.4-6), the active channel comprises a mixed bed of bedrock, boulders, and smaller grains. The stream is confined in the upper 1.4 km of the reach by a bedrock canyon and in the lower 2.4 km by its valley. In the Lower Study Reach (RKM 6-0), where the area of gravel bars historically was largest, the stream flows over bed material that is predominately alluvial sediments. The channel alternates between confined and unconfined segments. The primary human activities that likely have affected bed-material transport and the extent and area of gravel bars are (1) historical and ongoing aggregate extraction from gravel bars in the study area and (2) timber harvest and associated road construction throughout the basin. These anthropogenic activities likely have varying effects on sediment transport and deposition throughout the study area and over time. Although assessing the relative effects of these anthropogenic activities on sediment dynamics would be challenging, the Hunter Creek basin may serve as a case study for such an assessment because it is mostly free of other alterations to hydrologic and geomorphic processes such as flow regulation, dredging, and other navigation improvements that are common in many Oregon coastal basins. Several datasets are available that may support a more detailed physical assessment
CAN THE STABILITY OF PROTEIN MUTANTS BE PREDICTED BY FREE-ENERGY CALCULATIONS
YUNYU, S; MARK, AE; WANG, CX; HUANG, FH; BERENDSEN, HJC; VANGUNSTEREN, WF
1993-01-01
The use of free energy simulation techniques in the study of protein stability is critically evaluated. Results from two simulations of the thermostability mutation Asn218 to Ser218 in Subtilisin are presented. It is shown that components of the free energy change can be highly sensitive to the comp
CAN THE STABILITY OF PROTEIN MUTANTS BE PREDICTED BY FREE-ENERGY CALCULATIONS
YUNYU, S; MARK, AE; WANG, CX; HUANG, FH; BERENDSEN, HJC; VANGUNSTEREN, WF
The use of free energy simulation techniques in the study of protein stability is critically evaluated. Results from two simulations of the thermostability mutation Asn218 to Ser218 in Subtilisin are presented. It is shown that components of the free energy change can be highly sensitive to the
Directory of Open Access Journals (Sweden)
Baba Shehu Waziri
2013-11-01
Full Text Available Materials used for the construction of walls are normally required to possess adequate strength and erosion resistance. The study investigates the suitability of stabilized laterite soils for the production of compressed earth blocks for low-cost housing construction. Soil samples for the experiment were obtained at two different locations. Sample I was obtained at a borrow pit along Gujba road in Damaturu Yobe state while Sample II was taken at a borrow pit near lake Alau in Borno sate, Nigeria. The results of the study revealed that the specific gravity, bulk density, moisture content and plasticity index of both samples showed satisfactory performance. Different cement stabilization levels of 0%, 2.5%, 5% and 7.5% were used to prepare the specimens for testing. The blocks were moulded using hand operated CINVA-Ram machine. The maximum compressive strength of 2.48N/mm2 was obtained with stabilization level of 7.5% with sample I at 28 days curing. The strength of the specimens increases with increasing cement content with an average value of 0.35N/mm2. For higher strength requirements different stabilization options can be considered.
Lan, C. Edward
1985-01-01
A computer program based on the Quasi-Vortex-Lattice Method of Lan is presented for calculating longitudinal and lateral-directional aerodynamic characteristics of nonplanar wing-body combination. The method is based on the assumption of inviscid subsonic flow. Both attached and vortex-separated flows are treated. For the vortex-separated flow, the calculation is based on the method of suction analogy. The effect of vortex breakdown is accounted for by an empirical method. A summary of the theoretical method, program capabilities, input format, output variables and program job control set-up are described. Three test cases are presented as guides for potential users of the code.
A Preliminary Study on Modeling Stability of Planning Inventory and Incentive Effects
Institute of Scientific and Technical Information of China (English)
陈文; 殷志文
2003-01-01
The incentive effects and dynamic aspects of the inventory system were discussed in this paper. The wage policy was regarded as a factor to influence workers' thinking of their action. A multiple objective problem was constructed for the owners and the workers. At the same time, the planning stability is considered in the presented model. Since the process speed is decided by the dynamic demand of production or the interior system itself, two situations were discussed in this paper.
Institute of Scientific and Technical Information of China (English)
罗渝; 许强; 何思明; 李新坡; 何尽川; 吴永
2015-01-01
A new method based on the multi-wedge translation mechanism is presented to calculate the lateral force acting on the stabilizing piles. At first, there is no assumption for the shape of potential sliding surface, it is just considered that the potential sliding surface is a composite of a number of straight lines. And then, the potential sliding mass is divided into a number of triangular wedges take with these straight lines as its base. The kinematic theorem of limit analysis is adopted to calculate the rate of external work and the rate of energy dissipation for each triangular wedge, respectively. Furthermore, the multivariate functions are established to calculate the lateral force acting on the stabilizing piles. The lateral force and the corresponding potential sliding surfaces can be obtained by an optimizational technique. At last, an example is taken to illustrate the method. The effect of soil strength parameters, slope angle and pile roughness on the lateral force and the corresponding potential sliding surface are analyzed. The result are compared with those obtained using other methods.
Bannikov, V. V.; Shein, I. R.; Ivanovskii, A. L.
2010-05-01
First-principles FLAPW-GGA calculations for six possible polymorphs of ruthenium mononitride RuN indicate that the most stable structure is that of zinc blende rather than the rock salt structure recently reported for synthesized RuN samples. The elastic, electronic properties and the features of chemical bonds of zinc-blende RuN polymorph were investigated and discussed in detail.
Braswell, Jennifer; Rine, Rose Marie
2006-11-01
Despite impaired gaze stability and reading in children with sensorineural hearing loss (SNHL) and vestibular hypofunction (VH), there are no reports of intervention. We examined the effect of visual-vestibular exercises in two children on dynamic visual acuity (DVA), critical print size (CPS) and reading acuity (RA) using an ABA design. Improvement in CPS and RA was seen in both subjects. DVA improved only in the subject with acquired versus congenital VH. These results suggest that although exercise improves reading acuity, age at the time of lesion affects the improvement of DVA in children with SNHL and BVH.
Institute of Scientific and Technical Information of China (English)
陈双涛; 赵红利; 马斌; 侯予
2012-01-01
A modularized code based on the Finite Element QZ (FEQZ) method is developed, for a better estimate of the critical speed and a more convenient method of rotor-dynamic stability analysis for a gas bearing high speed turboexpander rotor system with actual structure and application of a cryogenic turboexpander. This code is then validated by the experimental data of a gas bearing turboexpander, with a rotor diameter of 25 mm and a rated speed of 106,400 rpm. With this code, four rotors with different structures, available to the turboexpander, are parametrically analyzed by the available speed range, vibration modes and logarithmic attenuation rate. The results suggest that the rotor with a structure of two thrust collars on the system exhibits a better performance in the designed conditions.
AB initio calculations of the structure and stability of the non-rigid LiBF 4 molecule
Zakzhevzskii, V. G.; Boldyrev, A. I.; Charkin, O. P.
1980-07-01
Ab initio calculations of the potential energy surface, equilibrium geometry and energetic stability of the non-rigid LiBF4 molecule have been performed using the basis sets of Roos and Siegbahn, and Huzinaga and Dunning in a doublezeta contraction. The results are compared with similar ab initio data for LiBH 4, LiAlH 4, LiBeH -4, LiCH +4, Li 2 F 2, and LiBeF 3 ‡The geometry of the most disadvantageous configuration (m) was not optimized completely
Directory of Open Access Journals (Sweden)
Yuriy Natanzon
2008-01-01
Full Text Available We report ﬁrst principles calculations of the electronic and elastic properties of yttriastabilized tetragonal zirconium dioxide doped with metal oxides like: GeO2, TiO2, SiO2,MgO and Al2O3. It is shown that addition of such dopants aﬀects selected elastic propertiesof ZrO2, which is driven by the attraction of electron density by dopant atom and creationof stronger dopant–oxygen bonds. This eﬀect contributes to the increase of superplasticityof doped material.
Energy Technology Data Exchange (ETDEWEB)
Wanne, Toivo; Johansson, Erik; Potyondy, David [Saanio and Riekkola Oy, Helsinki (Finland)
2004-02-01
SKB is planning to perform a large-scale pillar stability experiment called APSE (Aespoe Pillar Stability Experiment) at Aespoe HRL. The study is focused on understanding and control of progressive rock failure in hard crystalline rock and damage caused by high stresses. The elastic thermo-mechanical modeling was carried out in three dimensions because of the complex test geometry and in-situ stress tensor by using a finite-difference modeling software FLAC3D. Cracking and damage formation were modeled in the area of interest (pillar between two large scale holes) in two dimensions by using the Particle Flow Code (PFC), which is based on particle mechanics. FLAC and PFC were coupled to minimize the computer resources and the computing time. According to the modeling the initial temperature rises from 15 deg C to about 65 deg C in the pillar area during the heating period of 120 days. The rising temperature due to thermal expansion induces stresses in the pillar area and after 120 days heating the stresses have increased about 33% from the excavation induced maximum stress of 150 MPa to 200 MPa in the end of the heating period. The results from FLAC3D model showed that only regions where the crack initiation stress has exceeded were identified and they extended to about two meters down the hole wall. These could be considered the areas where damage may occur during the in-situ test. When the other hole is pressurized with a 0.8 MPa confining pressure it yields that 5 MPa more stress is needed to damage the rock than without confining pressure. This makes the damaged area in some degree smaller. High compressive stresses in addition to some tensile stresses might induce some AE (acoustic emission) activity in the upper part of the hole from the very beginning of the test and are thus potential areas where AE activities may be detected. Monitoring like acoustic emissions will be measured during the test execution. The 2D coupled PFC-FLAC modeling indicated that
Bağlayan, Özge; Kaya, Mehmet Fatih; Güneş, Esma; Şenyel, Mustafa
2016-10-01
FT-IR and FT-Raman spectra of 1-butylpiperazine (1bpa) were experimentally recorded in the region of 4000-10 cm-1 and 4000-100 cm-1, respectively. The optimized geometric parameters, conformational equilibria, normal mode frequencies and corresponding vibrational assignments of 1bpa (C8H18N2) are theoretically examined by means of B3LYP hybrid density functional theory (DFT) method together with 6-31++G(d,p) basis set. Also, reliable conformational investigation and vibrational assignments have been performed by the potential energy surface (PES) and potential energy distribution (PED) analysis, respectively. Calculations are made for four possible conformations. According to the experimental and theoretical data, density functional B3LYP method provides reliable results for predicting vibrational wavenumbers and equatorial-equatorial conformer is considered to be the most stable form of 1bpa.
Singh, Swapnil; Singh, Harshita; Srivastava, Anubha; Tandon, Poonam; Sinha, Kirti; Bharti, Purnima; Kumar, Sudhir; Kumar, Padam; Maurya, Rakesh
2014-11-11
In the present work, a detailed conformational study of cladrin (3-(3,4-dimethoxy phenyl)-7-hydroxychromen-4-one) has been done by using spectroscopic techniques (FT-IR/FT-Raman/UV-Vis/NMR) and quantum chemical calculations. The optimized geometry, wavenumber and intensity of the vibrational bands of the cladrin in ground state were calculated by density functional theory (DFT) employing 6-311++G(d,p) basis sets. The study has been focused on the two most stable conformers that are selected after the full geometry optimization of the molecule. A detailed assignment of the FT-IR and FT-Raman spectra has been done for both the conformers along with potential energy distribution for each vibrational mode. The observed and scaled wavenumber of most of the bands has been found to be in good agreement. The UV-Vis spectrum has been recorded and compared with calculated spectrum. In addition, 1H and 13C nuclear magnetic resonance spectra have been also recorded and compared with the calculated data that shows the inter or intramolecular hydrogen bonding. The electronic properties such as HOMO-LUMO energies were calculated by using time-dependent density functional theory. Molecular electrostatic potential has been plotted to elucidate the reactive part of the molecule. Natural bond orbital analysis was performed to investigate the molecular stability. Non linear optical property of the molecule have been studied by calculating the electric dipole moment (μ) and the first hyperpolarizability (β) that results in the nonlinearity of the molecule.
Energy Technology Data Exchange (ETDEWEB)
Tao, Xiaoma [Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physical Science and Technology, Guangxi University, Nanning 530004 (China); Computational Alloy Design Group, IMDEA Materials Institute, Getafe, Madrid 28906 (Spain); Wang, Ziru; Lan, Chunxiang [Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physical Science and Technology, Guangxi University, Nanning 530004 (China); Xu, Guanglong [Computational Alloy Design Group, IMDEA Materials Institute, Getafe, Madrid 28906 (Spain); Ouyang, Yifang, E-mail: ouyangyf@gxu.edu.cn [Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physical Science and Technology, Guangxi University, Nanning 530004 (China); Du, Yong [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 (China)
2016-05-15
The phase stability, electronic and mechanical properties of Ce–Pb intermetallics have been investigated by using first-principles calculations. Five stable and four metastable phases of Ce–Pb intermetallics were verified. Among them, CePb{sub 2} has been confirmed as HfGa{sub 2}-type structure. For Ce{sub 5}Pb{sub 3}, the high pressure phase transformation from D8{sub m} to D8{sub 8} with trivalent Ce has been predicted to occur at P=1.2 GPa and a high temperature phase transformation has been predicted from D8{sub m} to D8{sub 8} with tetravalent Ce at 531.5 K. The calculated lattice constants of the five stable phases are in good agreement with experimental values. The electronic density of states, charge density and electron localization function of Ce{sub 3}Pb have been calculated, which indicated that the Ce and Pb show ionic behavior. The polycrystalline bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are also estimated from the calculated single crystalline elastic constants. All of the calculated elastic constants satisfy mechanical stability criteria. The microhardness and mechanical anisotropy are predicted. The anisotropic nature of the Ce–Pb intermetallic compounds are demonstrated by the three-dimensional orientation dependent surfaces of Young's moduli and linear compressibility are also demonstrated. The longitudinal, transverse and average sound velocities and the Debye temperatures are also obtained in this work. The Ce{sub 3}Pb has the largest Debye temperature of 192.6 K, which means the Ce{sub 3}Pb has a highest melting point and high thermal conductivity than other compounds. - Graphical abstract: The convex hull plots of the enthalpies of formation for Ce–Pb binary systems calculated at 0 K. - Highlights: • The five stable and four metastable phases in the Ce–Pb binary system were predicted. • The crystal structure of CePb{sub 2} has been confirmed as HfGa{sub 2}-type.
Directory of Open Access Journals (Sweden)
Wei LI
2013-01-01
Full Text Available Background: Vitiligo is an acquired pigmentary disorder. In vivo reﬂectance confocal microscopy (RCM reproducible imaging technique has already been reported to be useful in the diagnosis of other skin diseases. Objective: To deﬁne RCM features of vitiligo on different clinical stages. Materials and Methods: A total of 125 patients with a clinical diagnosis of vitiligo were included in this study. After informed consent, lesional skins of those vitiligo patients were characterized by using RCM. Five patients with inflammatory cell infiltration observed at the edge of skin lesions and another 5 patients without inflammatory cell infiltration were selected. Biopsies were performed at same sites of the RCM examination areas for histological and immune-histological analysis. Results: In the active stage of vitiligo, the RCM examination revealed that the bright dermal papillary rings presented at the dermoepidermal junction level in normal skin lost their integrity or totally disappeared, border between vitiligo lesion and normal skin became unclear, and highly refractile cells that referred to infiltrated inflammatory cells could be seen within the papillary dermis at the edge of the lesions. In the stable stage of vitiligo, the RCM showed a complete loss of melanin in lesional skin and a clear border between lesional and normal skin. Conclusion: A simple clinical examination with RCM may reliably and efficiently allow evaluation of the stability status of vitiligo lesions.
Institute of Scientific and Technical Information of China (English)
Ye Xiao-Qiu; Luo De-Li; Sang Ge; Ao Bing-Yun
2011-01-01
The alanates (complex aluminohydrides) have relatively high gravimetric hydrogen densities and are among the most promising solid-state hydrogen-storage materials. In this work, the electronic structures and the formation enthalpies of seven typical aluminum-based deuterides have been calculated by the plane-wave pseudopotential method,these being AID3, LiAID4, Li3AID6, BaAID5, Ba2AID7, LiMg(AID4)3 and LiMgAID6. The results show that all these compounds are large band gap insulators at 0 K with estimated band gaps from 2.31 eV in AID3 to 4.96 eV in LiMg(AID4)3. The band gaps are reduced when the coordination of Al varies from 4 to 6. Two peaks present in the valence bands are the common characteristics of aluminum-based deuterides containing AID4 subunits while three peaks are the common characteristics of those containing AID6 subunits. The electronic structures of these compounds are determined mainly by aluminum deuteride complexes (AID4 or AID6) and their mutual interactions. The predicted formation enthalpies are presented for the studied aluminum-based deuterides.
Energy Technology Data Exchange (ETDEWEB)
NONE
2005-09-15
The European Commission decided in 2001 an analysis program to reduce the atmospheric emissions. This report presents different limit scenari for France in 2020 (the reference scenari and the MTFR scenari, Maximum Technically Feasible Reduction), optimized scenari calculated by the RAINS model (Regional Air Pollution Information and Simulation), the costs of the scenari calculated with RAINS and the cost-benefit analysis of the strategy CAFE. From the study results, the benefits are higher than the costs, even with the most ambitious scenari. At an european level the emission reduction strategies have no effect on the employment but an impact on the Gross Domestic Product (decrease between 0,04 % and 0,12 % in function of the scenari). (A.L.B.)
Thompson, N.; Watters, R. J.; Schiffman, P.
2004-12-01
Selected portions of the 3-km HSDP II core were tested to provide unconfined rock strength data from hyaloclastite alteration zones and pillow lavas. Though the drilling project was not originally intended for strength purpose, it is believed the core can provide unique rock strength insights into the flank stability of the Hawaiian Islands. The testing showed that very weak rock exists in the hyaloclastite abundant zones in the lower 2-km of the core with strength dependent on the degree of consolidation and type of alteration. Walton and Schiffman identified three zones of alteration, an upper incipient alteration zone (1080-1335m), a smectitic zone (1405-1573m) and a lower palagonitic zone from about 1573 m to the base of the core. These three zones were sampled and tested together with pillow lava horizons for comparison. Traditional cylindrical core was not available as a consequence of the entire core having been split lengthwise for archival purposes. Hence, point load strength testing was utilized which provides the unconfined compressive strength on irregular shaped samples. The lowest unconfined strengths were recorded from incipient alteration zones with a mean value of 9.5 MPa. Smectitic alteration zones yielded mean values of 16.4 MPa, with the highest measured alteration strengths from the palagonite zones with a mean value of 32.1 MPa. As anticipated, the highest strengths were from essentially unaltered lavas with a mean value of 173 MPa. Strength variations of between one to two orders of magnitude were identified in comparing the submarine hyaloclastite with the intercalated submarine lavas. The weakest zones within the hyaloclastites may provide horizons for assisting flank collapse by serving as potential thrust zones and landslide surfaces.
Li, Feifei; Feng, Yexin; Hu, Zhenpeng; Xu, Jing-Jun; Zhang, Lixin
2014-08-01
Growing MgO(1 1 1) polar ultrathin films (PUFs) on heterogeneous substrates is technologically challenging. By using first-principles calculations, we show that while the O-termination of the supported PUF can be perfectly passivated by H adatoms, the compensation of the Mg-termination at the interface is the key to the stabilization. Proper charge transfer across the interface is highly required, which is dominated by the work function difference between the two surfaces that form the interface. Taking Ag(1 1 1) as an example, we propose that a thin Pt buffer layer can increase the work function of the substrate, and improve the PUF quality significantly.
Rak, Zs.; Rost, C. M.; Lim, M.; Sarker, P.; Toher, C.; Curtarolo, S.; Maria, J.-P.; Brenner, D. W.
2016-09-01
Density functional theory calculations were carried out for three entropic rocksalt oxides, (Mg0.1Co0.1Ni0.1Cu0.1Zn0.1)O0.5, termed J14, and J14 + Li and J14 + Sc, to understand the role of charge neutrality and electronic states on their properties, and to probe whether simple expressions may exist that predict stability. The calculations predict that the average lattice constants of the ternary structures provide good approximations to that of the random structures. For J14, Bader charges are transferable between the binary, ternary, and random structures. For J14 + Sc and J14 + Li, average Bader charges in the entropic structures can be estimated from the ternary compositions. Addition of Sc to J14 reduces the majority of Cu, which show large displacements from ideal lattice sites, along with reduction of a few Co and Ni cations. Addition of Li to J14 reduces the lattice constant, consistent with experiment, and oxidizes some of Co as well as some of Ni and Cu. The Bader charges and spin-resolved density of states (DOS) for Co+3 in J14 + Li are very different from Co+2, while for Cu and Ni the Bader charges form continuous distributions and the two DOS are similar for the two oxidation states. Experimental detection of different oxidation states may therefore be challenging for Cu and Ni compared to Co. Based on these results, empirical stability parameters for these entropic oxides may be more complicated than those for non-oxide entropic solids.
Energy Technology Data Exchange (ETDEWEB)
Rak, Zs.; Rost, C. M.; Lim, M.; Maria, J.-P.; Brenner, D. W. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7907 (United States); Sarker, P.; Toher, C.; Curtarolo, S. [Department of Mechanical Engineering and Materials Science and Center for Materials Genomics, Duke University, Durham, North Carolina 27708 (United States)
2016-09-07
Density functional theory calculations were carried out for three entropic rocksalt oxides, (Mg{sub 0.1}Co{sub 0.1}Ni{sub 0.1}Cu{sub 0.1}Zn{sub 0.1})O{sub 0.5}, termed J14, and J14 + Li and J14 + Sc, to understand the role of charge neutrality and electronic states on their properties, and to probe whether simple expressions may exist that predict stability. The calculations predict that the average lattice constants of the ternary structures provide good approximations to that of the random structures. For J14, Bader charges are transferable between the binary, ternary, and random structures. For J14 + Sc and J14 + Li, average Bader charges in the entropic structures can be estimated from the ternary compositions. Addition of Sc to J14 reduces the majority of Cu, which show large displacements from ideal lattice sites, along with reduction of a few Co and Ni cations. Addition of Li to J14 reduces the lattice constant, consistent with experiment, and oxidizes some of Co as well as some of Ni and Cu. The Bader charges and spin-resolved density of states (DOS) for Co{sup +3} in J14 + Li are very different from Co{sup +2}, while for Cu and Ni the Bader charges form continuous distributions and the two DOS are similar for the two oxidation states. Experimental detection of different oxidation states may therefore be challenging for Cu and Ni compared to Co. Based on these results, empirical stability parameters for these entropic oxides may be more complicated than those for non-oxide entropic solids.
Directory of Open Access Journals (Sweden)
Jeffrey M Dick
Full Text Available Uncovering the chemical and physical links between natural environments and microbial communities is becoming increasingly amenable owing to geochemical observations and metagenomic sequencing. At the hot spring known as Bison Pool in Yellowstone National Park, the cooling of the water in the outflow channel is associated with an increase in oxidation potential estimated from multiple field-based measurements. Representative groups of proteins whose sequences were derived from metagenomic data also exhibit an increase in average oxidation state of carbon in the protein molecules with distance from the hot-spring source. The energetic requirements of reactions to form selected proteins used in the model were computed using amino-acid group additivity for the standard molal thermodynamic properties of the proteins, and the relative chemical stabilities of the proteins were investigated by varying temperature, pH and oxidation state, expressed as activity of dissolved hydrogen. The relative stabilities of the proteins were found to track the locations of the sampling sites when the calculations included a function for hydrogen activity that increases with temperature and is higher, or more reducing, than values consistent with measurements of dissolved oxygen, sulfide and oxidation-reduction potential in the field. These findings imply that spatial patterns in the amino acid compositions of proteins can be linked, through energetics of overall chemical reactions representing the formation of the proteins, to the environmental conditions at this hot spring, even if microbial cells maintain considerably different internal conditions. Further applications of the thermodynamic calculations are possible for other natural microbial ecosystems.
Chen, C. Z.; Wen, N. Y.; Chen, H. J.; Li, Y.; Cai, C. B.
2017-02-01
Tungsten (W)-doped SnO2 is investigated by first-principle calculations, with a view to understand the effect of doping on the lattice structure, thermal stability, conductivity, and optical transparency. Due to the slight difference in ionic radius as well as high thermal and chemical compatibility between the native element and the heterogeneous dopant, the doped system changes a little with different deviations in the lattice constant from Vegard's law, and good thermal stability is observed as the doping level reaches x = 0.125 in Sn1- x W x O2 compounds. Nevertheless, the large disparities in electron configuration and electronegativity between W and Sn atoms will dramatically modify the electronic structure and charge distribution of W-doped SnO2, leading to a remarkable enhancement of conductivity, electron excitation in the low energy region, and the consequent optical properties, while the visible transparency of Sn1 -x W x O2 is still preserved. Particularly, it is found that the optimal photoelectric properties of W-doped SnO2 may be achieved at x = 0.03. These observations are consistent with the experimental results available on the structural, thermal, electronic, and optical properties of Sn1- x W x O2, thus presenting a practical way of tailoring the physical behaviors of SnO2 through the doping technique.
ESTAB-A Computer Package for Stability Calculation of Ships%船舶稳性计算程序ESTAB
Institute of Scientific and Technical Information of China (English)
赵成璧; 邹早建
2001-01-01
This paper introduces a practical computer package for effective 3 dimensional stability calculation of ships, which involves various advanced skill and techniques in order to describe the ship surfaces and hulls conveniently, get the floating attitude and various curves of stability.%介绍了一个基于三维稳性计算方法的实用计算机程序ESTAB。采用三角形剖分技术和一些先进的算法，实现了船舶舱室和各种剖面的生成，可以可靠地获得各种载况下的浮态、不同纵向位置的进水角、各类型舱室的舱容要素曲线和船舶静水力曲线、邦戎曲线、插值曲线、静（动）稳性曲线、可浸长度曲线、弯矩与剪力曲线以及破舱时的浮态和破舱稳性。
Energy Technology Data Exchange (ETDEWEB)
Wu, Lailei; Wang, Yachun; Yan, Zhigang; Zhang, Jingwu; Xiao, Furen [Key Laboratory of Metastable Materials Science and Technology, College of Material Science and Engineering, Yanshan University, Qinhuangdao 066004 (China); Liao, Bo, E-mail: wll@ysu.edu.cn [Key Laboratory of Metastable Materials Science and Technology, College of Material Science and Engineering, Yanshan University, Qinhuangdao 066004 (China)
2013-06-05
Highlights: ► Hardness and Young’s modulus of c-NbC have been evaluated by nano-indentation. ► The properties of Nb–C system have been studied by first-principles calculations. ► Pnma-Nb{sub 2}C and P3{sub 1}-Nb{sub 6}C{sub 5} are identified as ground state structures for Nb–C system. ► Four proposed Nb-C phases are stable energetically, mechanically, dynamically. -- Abstract: Structural stability and mechanical property of niobium carbide (NbC) were characterized by combined experimental methods and first-principles technique. The hardness and Young’s modulus were measured to be 24.5 GPa and 406 GPa for NbC from nano-indentation, respectively. Moreover, the systematically studies of the structural, mechanical, and electronic properties of niobium carbides show that pnma-Nb{sub 2}C and P3{sub 1}-Nb{sub 6}C{sub 5} are the ground state structures, consistent with the experiment results. The proposed Fm-3m-Nb{sub 23}C{sub 6}, Pnma-Nb{sub 3}C, C2/c-Nb{sub 5}C{sub 2}, and P6{sub 3}mc-Nb{sub 7}C{sub 3}, are stable energetically, mechanically, and dynamically from first-principles calculations. The effects of carbon content on the elastic modulus and theoretical hardness of niobium carbides were also discussed.
Waggoner, E. G.; Phillips, P. S.; Viken, J. K.; Davis, W. H.
1985-01-01
NASA Langley and NASA Ames-Dryden have defined a variable-sweep transition-flight experiment utilizing the F-14 aircraft to enhance understanding of the interaction of crossflow and Tollmien-Schlichting instabilities on a laminar-boundary-layer transition. The F-14 wing outer panel will be modified to generate favorable pressure gradients on the upper wing surface over a wide range of flight conditions. Extensive computations have been performed using two-dimensional and three-dimensional transonic analysis codes. Flight-test and computational data are compared and shown to validate the applicability of the three-dimensional codes (WBPPW and TAWFIVE). In addition, results from two preliminary glove designs derived from two different approaches to the design problem are presented. Advantages and disadvantages of each approach are identified, and it is concluded that coupling an analysis code with an automated design procedure yields a powerful code with distinct advantages over a 'cut-and-dry' approach.
Energy Technology Data Exchange (ETDEWEB)
NONE
1993-12-31
This document contains the ground water hydrology calculations for the remedial action plan for the codisposal and stabilization of uranium mill tailings at Mexican Hat, Utah. Included are calculations for the following: slug test analyses for monitor wells, analyses of packer tests, hydraulic gradients and ground water velocities, volume of released water, aquifer pumping test analysis, slug test analysis to determine hydraulic conductivity, and gradient calculations.
Energy Technology Data Exchange (ETDEWEB)
Jin, L; Eldib, A; Li, J; Price, R; Ma, C [Fox Chase Cancer Center, Philadelphia, PA (United States)
2015-06-15
Purpose: Uneven nose surfaces and air cavities underneath and the use of bolus present complexity and dose uncertainty when using a single electron energy beam to plan treatments of nose skin with a pencil beam-based planning system. This work demonstrates more accurate dose calculation and more optimal planning using energy and intensity modulated electron radiotherapy (MERT) delivered with a pMLC. Methods: An in-house developed Monte Carlo (MC)-based dose calculation/optimization planning system was employed for treatment planning. Phase space data (6, 9, 12 and 15 MeV) were used as an input source for MC dose calculations for the linac. To reduce the scatter-caused penumbra, a short SSD (61 cm) was used. Our previous work demonstrates good agreement in percentage depth dose and off-axis dose between calculations and film measurement for various field sizes. A MERT plan was generated for treating the nose skin using a patient geometry and a dose volume histogram (DVH) was obtained. The work also shows the comparison of 2D dose distributions between a clinically used conventional single electron energy plan and the MERT plan. Results: The MERT plan resulted in improved target dose coverage as compared to the conventional plan, which demonstrated a target dose deficit at the field edge. The conventional plan showed higher dose normal tissue irradiation underneath the nose skin while the MERT plan resulted in improved conformity and thus reduces normal tissue dose. Conclusion: This preliminary work illustrates that MC-based MERT planning is a promising technique in treating nose skin, not only providing more accurate dose calculation, but also offering an improved target dose coverage and conformity. In addition, this technique may eliminate the necessity of bolus, which often produces dose delivery uncertainty due to the air gaps that may exist between the bolus and skin.
Bird, John D; Jaquet, Byron M
1951-01-01
An investigation was made to determine the accuracy with which the lateral flight motions of a swept-wing airplane could be predicted from experimental stability derivatives, determined in the 6-foot-diameter rolling-flow test section and 6 by 6-foot curved-flow test section of the Langley stability tunnel. In addition, determination of the significance of including the nonlinear aerodynamic effects of sideslip in the calculations of the motions was desired. All experimental aerodynamic data necessary for prediction of the lateral flight motions are presented along with a number of comparisons between flight and calculated motions caused by rudder and aileron disturbances.
Preliminary Calculation of the EROI for the Production of Crude Oil and Light Oil Products in Russia
Directory of Open Access Journals (Sweden)
Alexander Safronov
2014-09-01
Full Text Available Russia is one of the world’s largest producers of energy resources. The production of energy resources in Russia is profitable both economically and in terms of energy production. Currently, Russian oil and gas companies have a policy of increasing energy efficiency, which will led to an increase in the energy return on investment (EROI of both oil and gas production as a whole, and of separate companies in particular. By our calculations, the EROI for oil production in Russia differs for the different companies, and in 2012 was in the range of 22–35:1. The EROI for light oil products in 2012 was in the range of 5–13:1.
Holod, Aleksandra; Johnson, Anna D.; Martin, Anne; Gardner, Margo; Brooks-Gunn, Jeanne
2012-01-01
Background: The federal child care subsidy program, funded through the Child Care and Development Fund (CCDF), is the nation's largest public investment in early child care. However, little is known about whether and how subsidy payment mechanisms relate to the stability of subsidy receipt or the stability of children's care arrangements.…
Directory of Open Access Journals (Sweden)
Muhammad H. Al-Malack
2016-07-01
Full Text Available Fuel oil flyash (FFA produced in power and water desalination plants firing crude oils in the Kingdom of Saudi Arabia is being disposed in landfills, which increases the burden on the environment, therefore, FFA utilization must be encouraged. In the current research, the effect of adding FFA on the engineering properties of two indigenous soils, namely sand and marl, was investigated. FFA was added at concentrations of 5%, 10% and 15% to both soils with and without the addition of Portland cement. Mixtures of the stabilized soils were thoroughly evaluated using compaction, California Bearing Ratio (CBR, unconfined compressive strength (USC and durability tests. Results of these tests indicated that stabilized sand mixtures could not attain the ACI strength requirements. However, marl was found to satisfy the ACI strength requirement when only 5% of FFA was added together with 5% of cement. When the FFA was increased to 10% and 15%, the mixture’s strength was found to decrease to values below the ACI requirements. Results of the Toxicity Characteristics Leaching Procedure (TCLP, which was performed on samples that passed the ACI requirements, indicated that FFA must be cautiously used in soil stabilization.
Jaeger, C.R.; Debowski, M.A.; Manners, I.; Vancso, G.J.
1999-01-01
Ab initio molecular orbital calculations at the MP2/6-31G* level of theory have been used to study the molecular geometry, electronic structure, and the thermal stability of six-membered phosphazene and heterophosphazene rings. The studies included the phosphazene ring [NPCl2]3, the carbophosphazene
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Inseon Ryoo
Full Text Available PURPOSE: To evaluate the usefulness of dynamic susceptibility contrast (DSC enhanced perfusion MR imaging in predicting major genetic alterations in glioblastomas. MATERIALS AND METHODS: Twenty-five patients (M:F = 13∶12, mean age: 52.1±15.2 years with pathologically proven glioblastoma who underwent DSC MR imaging before surgery were included. On DSC MR imaging, the normalized relative tumor blood volume (nTBV of the enhancing solid portion of each tumor was calculated by using dedicated software (Nordic TumorEX, NordicNeuroLab, Bergen, Norway that enabled semi-automatic segmentation for each tumor. Five major glioblastoma genetic alterations (epidermal growth factor receptor (EGFR, phosphatase and tensin homologue (PTEN, Ki-67, O6-methylguanine-DNA methyltransferase (MGMT and p53 were confirmed by immunohistochemistry and analyzed for correlation with the nTBV of each tumor. Statistical analysis was performed using the unpaired Student t test, ROC (receiver operating characteristic curve analysis and Pearson correlation analysis. RESULTS: The nTBVs of the MGMT methylation-negative group (mean 9.5±7.5 were significantly higher than those of the MGMT methylation-positive group (mean 5.4±1.8 (p = .046. In the analysis of EGFR expression-positive group, the nTBVs of the subgroup with loss of PTEN gene expression (mean: 10.3±8.1 were also significantly higher than those of the subgroup without loss of PTEN gene expression (mean: 5.6±2.3 (p = .046. Ki-67 labeling index indicated significant positive correlation with the nTBV of the tumor (p = .01. CONCLUSION: We found that glioblastomas with aggressive genetic alterations tended to have a high nTBV in the present study. Thus, we believe that DSC-enhanced perfusion MR imaging could be helpful in predicting genetic alterations that are crucial in predicting the prognosis of and selecting tailored treatment for glioblastoma patients.
Tripathi, Shubhandra; Kumar, Akhil; Kumar, B Sathish; Negi, Arvind S; Sharma, Ashok
2016-06-01
Microtubule stabilizers provide an important mode of treatment via mitotic cell arrest of cancer cells. Recently, we reported two novel neolignans derivatives Cmp10 and Cmp19 showing anticancer activity and working as microtubule stabilizers at micromolar concentrations. In this study, we have explored the binding site, mode of binding, and stabilization by two novel microtubule stabilizers Cmp10 and Cmp19 using in silico molecular docking, molecular dynamics (MD) simulation, and binding free energy calculations. Molecular docking studies were performed to explore the β-tubulin binding site of Cmp10 and Cmp19. Further, MD simulations were used to probe the β-tubulin stabilization mechanism by Cmp10 and Cmp19. Binding affinity was also compared for Cmp10 and Cmp19 using binding free energy calculations. Our docking results revealed that both the compounds bind at Ptxl binding site in β-tubulin. MD simulation studies showed that Cmp10 and Cmp19 binding stabilizes M-loop (Phe272-Val288) residues of β-tubulin and prevent its dynamics, leading to a better packing between α and β subunits from adjacent tubulin dimers. In addition, His229, Ser280 and Gln281, and Arg278, Thr276, and Ser232 were found to be the key amino acid residues forming H-bonds with Cmp10 and Cmp19, respectively. Consequently, binding free energy calculations indicated that Cmp10 (-113.655 kJ/mol) had better binding compared to Cmp19 (-95.216 kJ/mol). This study provides useful insight for better understanding of the binding mechanism of Cmp10 and Cmp19 and will be helpful in designing novel microtubule stabilizers.
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Nada S. Abdelwahab
2017-05-01
Full Text Available The present work concerns with the development of stability indicating the RP-HPLC method for simultaneous determination of guaifenesin (GUF and pseudoephedrine hydrochloride (PSH in the presence of guaifenesin related substance (Guaiacol. GUC, and in the presence of syrup excepients with minimum sample pre-treatment. In the developed RP-HPLC method efficient chromatographic separation was achieved for GUF, PSH, GUC and syrup excepients using ODS column as a stationary phase and methanol: water (50:50, v/v, pH = 4 with orthophosphoric acid as a mobile phase with a flow rate of 1 mL min−1 and UV detection at 210 nm. The chromatographic run time was approximately 10 min. Calibration curves were drawn relating the integrated area under peak to the corresponding concentrations of PSH, GUF and GUC in the range of 1–8, 1–20, 0.4–8 μg mL−1, respectively. The developed method has been validated and met the requirements delineated by ICH guidelines with respect to linearity, accuracy, precision, specificity and robustness. The validated method was successfully applied for determination of the studied drugs in triaminic chest congestion® syrup; moreover its results were statistically compared with those obtained by the official method and no significant difference was found between them.
Formica, Matteo; Cavagnaro, Luca; Basso, Marco; Zanirato, Andrea; Felli, Lamberto; Formica, Carlo
2015-11-01
To evaluate the results of a novel rigid-dynamic stabilization technique in lumbar degenerative segment diseases (DSD), expressly pointing out the preservation of postoperative lumbar lordosis (LL). Forty-one patients with one level lumbar DSD and initial disc degeneration at the adjacent level were treated. Circumferential lumbar arthrodesis and posterior hybrid instrumentation were performed to preserve an initial disc degeneration above the segment that has to be fused. Clinical and spino-pelvic parameters were evaluated pre- and postoperatively. At 2-year follow-up, a significant improvement of clinical outcomes was reported. No statistically significant difference was noted between postoperative and 2-year follow-up in LL and in disc/vertebral body height ratio at the upper adjacent fusion level. When properly selected, this technique leads to good results. A proper LL should be achieved after any hybrid stabilization to preserve the segment above the fusion.
Bobrowski, Piotr; Faryna, Marek; Pędzich, Zbigniew
2017-06-01
A set of yttria-stabilized zirconia samples sintered at increasing temperatures was investigated using two-dimensional (2D) and three-dimensional (3D) electron backscatter diffraction (EBSD) techniques to calculate grain size distributions and grain boundary densities. The obtained results were compared to the results of stereological calculations and revealed that mean intercept length, a commonly used stereological parameter, is ca. 20% lower than an average grain diameter derived from 2D and 3D EBSD data. Moreover, the results based on 2D and 3D EBSD analyses were similar to each other in grain boundary density, while the values obtained from the stereological approach were noticeably lower.
Dorrepaal, Ethy; Thomaes, Kathleen; Smit, Johannes H; Veltman, Dick J; Hoogendoorn, Adriaan W; van Balkom, Anton J L M; Draijer, Nel
2013-01-01
In the empirical and clinical literature, complex posttraumatic stress disorder (PTSD) and personality disorders (PDs) are suggested to be predictive of drop-out or reduced treatment effectiveness in trauma-focused PTSD treatment. In this study, we aimed to investigate if personality characteristics would predict treatment compliance and effectiveness in stabilizing complex PTSD treatment. In a randomized controlled trial on a 20-week stabilizing group cognitive behavioral treatment (CBT) for child-abuse-related complex PTSD, we included 71 patients of whom 38 were randomized to a psycho-educational and cognitive behavioral stabilizing group treatment. We compared the patients with few PD symptoms (adaptive) (N=14) with the non-adaptive patients (N=24) as revealed by a cluster analysis. We found that non-adaptive patients compared to the adaptive patients showed very low drop-out rates. Both non-adaptive patients, classified with highly different personality profiles "withdrawn" and "aggressive," were equally compliant. With regard to symptom reduction, we found no significant differences between subtypes. Post-hoc, patients with a PD showed lower drop-out rates and higher effect sizes in terms of complex PTSD severity, especially on domains that affect regulation and interpersonal problems. Contrary to our expectations, these preliminary findings indicate that this treatment is well tolerated by patients with a variety of personality pathology. Larger sample sizes are needed to study effectiveness for subgroups of complex PTSD patients.
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Ethy Dorrepaal
2013-11-01
Full Text Available Background: In the empirical and clinical literature, complex posttraumatic stress disorder (PTSD and personality disorders (PDs are suggested to be predictive of drop-out or reduced treatment effectiveness in trauma-focused PTSD treatment. Objective: In this study, we aimed to investigate if personality characteristics would predict treatment compliance and effectiveness in stabilizing complex PTSD treatment. Method: In a randomized controlled trial on a 20-week stabilizing group cognitive behavioral treatment (CBT for child-abuse-related complex PTSD, we included 71 patients of whom 38 were randomized to a psycho-educational and cognitive behavioral stabilizing group treatment. We compared the patients with few PD symptoms (adaptive (N=14 with the non-adaptive patients (N=24 as revealed by a cluster analysis. Results: We found that non-adaptive patients compared to the adaptive patients showed very low drop-out rates. Both non-adaptive patients, classified with highly different personality profiles “withdrawn” and “aggressive,” were equally compliant. With regard to symptom reduction, we found no significant differences between subtypes. Post-hoc, patients with a PD showed lower drop-out rates and higher effect sizes in terms of complex PTSD severity, especially on domains that affect regulation and interpersonal problems. Conclusion: Contrary to our expectations, these preliminary findings indicate that this treatment is well tolerated by patients with a variety of personality pathology. Larger sample sizes are needed to study effectiveness for subgroups of complex PTSD patients.
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Mein, S [Duke University Medical Physics Graduate Program (United States); Gunasingha, R [Department of Radiation Safety, Duke University Medical Center (United States); Nolan, M [Department of Clinical Sciences, College of Veterinary Medicine, North Carolina State University (United States); Oldham, M; Adamson, J [Department of Radiation Oncology, Duke University Medical Center (United States)
2016-06-15
Purpose: X-PACT is an experimental cancer therapy where kV x-rays are used to photo-activate anti-cancer therapeutics through phosphor intermediaries (phosphors that absorb x-rays and re-radiate as UV light). Clinical trials in pet dogs are currently underway (NC State College of Veterinary Medicine) and an essential component is the ability to model the kV dose in these dogs. Here we report the commissioning and characterization of a Monte Carlo (MC) treatment planning simulation tool to calculate X-PACT radiation doses in canine trials. Methods: FLUKA multi-particle MC simulation package was used to simulate a standard X-PACT radiation treatment beam of 80kVp with the Varian OBI x-ray source geometry. The beam quality was verified by comparing measured and simulated attenuation of the beam by various thicknesses of aluminum (2–4.6 mm) under narrow beam conditions (HVL). The beam parameters at commissioning were then corroborated using MC, characterized and verified with empirically collected commissioning data, including: percent depth dose curves (PDD), back-scatter factors (BSF), collimator scatter factor(s), and heel effect, etc. All simulations were conducted for N=30M histories at M=100 iterations. Results: HVL and PDD simulation data agreed with an average percent error of 2.42%±0.33 and 6.03%±1.58, respectively. The mean square error (MSE) values for HVL and PDD (0.07% and 0.50%) were low, as expected; however, longer simulations are required to validate convergence to the expected values. Qualitatively, pre- and post-filtration source spectra matched well with 80kVp references generated via SPEKTR software. Further validation of commissioning data simulation is underway in preparation for first-time 3D dose calculations with canine CBCT data. Conclusion: We have prepared a Monte Carlo simulation capable of accurate dose calculation for use with ongoing X-PACT canine clinical trials. Preliminary results show good agreement with measured data and hold
Sample Calculations and Analysis on Vulnerability Criteria of Dead Ship Stability%瘫船稳性薄弱性评估样船计算分析
Institute of Scientific and Technical Information of China (English)
马坤; 刘飞; 李楷
2015-01-01
IMO is now drafting the second generation intact stability criterion, one of which main parts is dead ship stability vulnerability assessment. Based on IMO SDC1/INF.6 dead ship stability failure mode vulnerability criterion draft, computation programs for dead ship stability vulnerability assessment level 1 and level 2 are developed. Calculation samples include fishery administration vessels, oil tankers, patrol ships and sea guard ships. There are three loading conditions containing load draft, design draft and ballast draft being calculated for each ship assessing the dead ship stability vulnerability. Consistency between level 1 and level 2 is studied, which provides reference to the level 2 vulnerability criterion for dead ship stability.%国际海事组织 IMO 目前正在制定第二代完整稳性衡准，其中瘫船稳性薄弱性衡准是其中的重要内容。基于 IMO SDC 1/INF.6瘫船稳性失效模式薄弱性衡准草案的相关内容，开发了瘫船稳性薄弱性衡准第一层和第二层计算程序，并进行了11艘样船计算，样船包括渔政船、油船、巡逻船、海域看护船等。对于各种船型分别进行满载、设计和压载三个吃水状态的瘫船稳性薄弱性评估，根据计算结果分析了第一层和第二层的协调性，为制定瘫船稳性第二层薄弱性衡准提供参考。
Bouffard, Jeffrey; Kunzi, Tasha
2012-01-01
A central proposition of Gottfredson and Hirschi's (1990) General Theory of Crime is the relative stability of low self-control, however research on "self-control strength" suggests that it may vary across contexts. The current study examines these differing conceptions by randomly assigning participants to one of two sexual arousal conditions or…
Nong, Zhi-Sheng; Zhu, Jing-Chuan; Yang, Xia-Wei; Cao, Yong; Lai, Zhong-Hong; Liu, Yong; Sun, Wen
2014-06-01
The structural, elastic properties, electronic structure and hydrogen storage behavior of TiCrMn with a hexagonal C14 structure were investigated by the first-principles calculations within the frame work of DFT. The calculated lattice constants were consistent with the experimental values, and obtained cohesive energy and formation enthalpy showed TiCrMn is of the structural stability. These results also indicated that Mn atoms would optionally substitute on the Cr sites of TiCr2 phase to form the ternary intermetallic TiCrMn. The five independent elastic constants as well as polycrystalline elastic parameters (bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio ν and anisotropy value A) were calculated, and then the ductility and elastic anisotropy of TiCrMn were discussed in details. Furthermore, the electronic DOS and charge density distribution of TiCrMn were also calculated, which revealed the underlying mechanism of structural stability and chemical bonding. Finally, the binding energy of hydrogen in hydride TiCrMn(H3) was investigated, confirming the better hydrogen storage behavior of C14 Laves phase TiCrMn.
Institute of Scientific and Technical Information of China (English)
Tao Haiqiao; Long Jun; Zhou Han; Xie Chaogang; Dai Zhenyu; Wei Xiaoli
2009-01-01
The structure and energy of the carbonium ions formed upon protonation of butane were studied by the DFT methods. Four stable structures are identified for the protonated form of n-butane, the energy increases in the following order: C2HC3C1HC2>C2HH>C1HH. The stability of the penta-enordinated carbonium ions may be explained by the electron distribution in the three-center-two-electron bonds. The delocalization of the penta-eoordinated carbonium ion CHC with three-center-two-electron bonds on positive charges was stronger than that of the penta-coordinated carbonium ion CHH with three-center-two-electron bonds and its stability was higher than that of the penta-coordinated earbonium ion CHH with three-center-two-electron bonds.
Ferullo, Ricardo M.; Branda, Maria Marta; Illas, Francesc
2013-11-01
The interaction of acrolein and allyl alcohol with the Ag(111) surface has been studied by means of periodic density functional theory based calculations including explicitly dispersion terms. Different coverage values have been explored going from isolated adsorbed molecules to isolated dimers, interacting dimers or ordered overlayers. The inclusion of the dispersion terms largely affects the calculated values of the adsorption energy and also the distance between adsorbed molecule and the metallic surface but much less the adsorbate-adsorbate interactions. Owing to the large dipole moment of acrolein, the present calculations predict that at high coverage this molecule forms a stable extensive two-dimensional network on the surface, caused by the alignment of the adsorbate dipoles. For the case of allyl alcohol, dimers and complex networks exhibit similar stability.
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Alejandro Amor-Coarasa
2014-01-01
Full Text Available Chitosan (CHS is used to prepare microspheres of 31 ± 8 µm size. Surface modification with p-SCN-Bn-DOTA was performed. A maximum 90Y capacity was found to be 12.1 ± 4.4 µCi/particle. The best obtained labeling yield was 87.7 ± 0.6%. More than 90% in vitro stability was found. Particle in vitro degradation half-life in PBS was found to be greater than 21 days. In vivo studies with 90Y-DOTA-CHS showed more than 95% of the injected activity (decay corrected in the lungs 24 hours after tail vein administration. 90Y-DOTA-CHS in vivo label stability was superior to resin microspheres. The addition of p-SCN-Bn-DOTA served as a radioprotectant for bone marrow as the 5% 90Y released, during the first 24 hours, was quickly eliminated via urine.
Balachandran, V.; Parimala, K.
This study is a comparative analysis of FT-IR and FT-Raman spectra of vanillin (3-methoxy-4-hydroxybenzaldehyde) and isovanillin (3-hydroxy-4-methoxybenzaldehyde). The molecular structure, vibrational wavenumbers, infrared intensities, Raman scattering activities were calculated for both molecules using the B3LYP density functional theory (DFT) with the standard 6-311++G∗∗ basis set. The computed values of frequencies are scaled using multiple scaling factors to yield good coherence with the observed values. The calculated harmonic vibrational frequencies are compared with experimental FT-IR and FT-Raman spectra. The geometrical parameters and total energies of vanillin and isovanillin were obtained for all the eight conformers (a-h) from DFT/B3LYP method with 6-311++G∗∗ basis set. The computational results identified the most stable conformer of vanillin and isovanillin as in the "a" form. Non-linear properties such as electric dipole moment (μ), polarizability (α), and hyperpolarizability (β) values of the investigated molecules have been computed using B3LYP quantum chemical calculation. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecules.
Kharissova, Oxana V; Osorio, Mario; Vázquez, Mario Sánchez; Kharisov, Boris I
2012-08-01
Using molecular mechanics (MM+), semi-empirical (PM6) and density functional theory (DFT) (B3LYP) methods we characterized bismuth nanotubes. In addition, we predicted the bismuth clusters {Bi(20)(C(5V)), Bi(24)(C(6v)), Bi(28)(C(1)), B(32)(D(3H)), Bi(60)(C(I))} and calculated their conductor properties.
Mizutani, U.; Asahi, R.; Sato, H.; Noritake, T.; Takeuchi, T.
2008-07-01
The first-principles FLAPW (full potential linearized augmented plane wave) electronic structure calculations were performed for the Ag5Li8 gamma-brass, which contains 52 atoms in a unit cell and has been known for many years as one of the most structurally complex alloy phases. The calculations were also made for its neighboring phase AgLi B2 compound. The main objective in the present work is to examine if the Ag5Li8 gamma-brass is stabilized at the particular electrons per atom ratio e/a = 21/13 in the same way as some other gamma-brasses like Cu5Zn8 and Cu9Al4, obeying the Hume-Rothery electron concentration rule. For this purpose, the e/a value for the Ag5Li8 gamma-brass as well as the AgLi B2 compound was first determined by means of the FLAPW-Fourier method we have developed. It proved that both the gamma-brass and the B2 compound possess an e/a value equal to unity instead of 21/13. Moreover, we could demonstrate why the Hume-Rothery stabilization mechanism fails for the Ag5Li8 gamma-brass and proposed a new stability mechanism, in which the unique gamma-brass structure can effectively lower the band-structure energy by forming heavily populated bonding states near the bottom of the Ag-4d band.
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Jasiewicz, K.; Cieslak, J.; Kaprzyk, S.; Tobola, J., E-mail: tobola@ftj.agh.edu.pl
2015-11-05
Electronic structure of Al{sub x}FeNiCrCo (x ≤ 3) high-entropy alloys (HEAs) was calculated using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation (KKR-CPA). Total energy minimization was performed for bcc and fcc structures in each alloy composition. The phase stability was investigated from the total energy analysis, which finally allowed to determine the bcc–fcc phase transition for aluminium concentration close to 13 at%. It inspired us to synthesize Al{sub x}FeNiCrCo (0 ≤ x ≤ 1.5) using two procedures based on arc melting and sintering to allow for observation of entropy effect on phase formation. The XRD measurements evidently proved an occurence of fcc or bcc structure and their coexistence, depending on Al concentration and temperature. This finding remains in good agreement with theoretical results from free energy analysis, when accounting for KKR-CPA total energy as well as entropy terms. Furthermore, the structure preference, from fcc to bcc HEAs, with increasing Al content was discussed in view of total and atomic-dependent density of states computed in non-magnetic and paramagnetic-like states. - Highlights: • Crystal stability and electronic properties of high entropy alloys from KKR-CPA. • Influence of configuration entropy on phase preference (or coexistence). • Effect of configuration entropy on phase stability: arc melting viz. sintering. • Ab initio calculations (accounting for disorder) of phase preference in HEA.
Sridevi, C; Velraj, G
2014-01-01
This study represents the conformation, tautomeric stability, protonation and deprotonation effects, vibrational, electronic, NBO and NMR aspects of 2,4-Dioxoimidazolidine-5-acetic acid (DOIAA). Theoretical calculations were performed by ab initio HF and density functional theory (DFT)/B3LYP method using 6-311++G(d,p) basis sets. Tautomerism and the effect of solvent on the tautomeric equilibria in the gas phase and in different solvents were studied. The protonation and deprotonation effects on the reactivity and conformations of DOIAA were investigated. Electronic transitions were also studied and the most prominent transition corresponds to π→π*. Natural bond orbital (NBO) analysis was also carried out to find the intramolecular interactions and their stabilization energy. In DOIAA, the interaction between the lone pair donor orbital (n(LP1N5)) and the acceptor antibonding orbital π*(C6O7) reveals the strong stabilization energy of 224.9 kJ mol(-1). Molecular electrostatic potential (MEP) was calculated to predict the reactive sites of the title compound. The NMR results indicated that the observed chemical shifts for NH, COOH protons of DOIAA not only depend on the structure of the molecule being studied but also on the nature of the solvent, concentration of the sample and the presence of the other exchangeable protons.
Jones, Krista L.; O'Connor, Jim E.; Keith, Mackenzie K.; Mangano, Joseph F.; Wallick, J. Rose
2012-01-01
This report summarizes a preliminary assessment of bed-material transport, vertical and lateral channel changes, and existing datasets for the Rogue River basin, which encompasses 13,390 square kilometers (km2) along the southwestern Oregon coast. This study, conducted to inform permitting decisions regarding instream gravel mining, revealed that: * The Rogue River in its lowermost 178.5 kilometers (km) alternates between confined and unconfined segments, and is predominately alluvial along its lowermost 44 km. The study area on the mainstem Rogue River can be divided into five reaches based on topography, hydrology, and tidal influence. The largely confined, active channel flows over bedrock and coarse bed material composed chiefly of boulders and cobbles in the Grants Pass (river kilometers [RKM] 178.5-152.8), Merlin (RKM 152.8-132.7), and Galice Reaches (RKM 132.7-43.9). Within these confined reaches, the channel contains few bars and has stable planforms except for locally wider segments such as the Brushy Chutes area in the Merlin Reach. Conversely, the active channel flows over predominately alluvial material and contains nearly continuous gravel bars in the Lobster Creek Reach (RKM 43.9-6.7). The channel in the Tidal Reach (RKM 6.7-0) is also alluvial, but tidally affected and unconfined until RKM 2. The Lobster Creek and Tidal Reaches contain some of the most extensive bar deposits within the Rogue River study area. * For the 56.6-km-long segment of the Applegate River included in this study, the river was divided into two reaches based on topography. In the Upper Applegate River Reach (RKM 56.6-41.6), the confined, active channel flows over alluvium and bedrock and has few bars. In the Lower Applegate River Reach (RKM 41.6-0), the active channel alternates between confined and unconfined segments, flows predominantly over alluvium, shifts laterally in unconfined sections, and contains more numerous and larger bars. * The 6.5-km segment of the lower
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Mejia-Urueta, Rafael; Mestre-Quintero, Kleyber; Vivas-Reyes, Ricardo, E-mail: rvivasr@unicartagena.edu.co [Grupo de Quimica Cuantica y Teorica, Facultad de Ciencias Exactas y Naturales, Universidad de Cartagena, Cartagena (Colombia)
2011-09-15
Perfluorinated organic compounds (POCs), such as perfluorooctanesulfonate (PFOS) and perfluoroalkylsulfonamide (PFASA) are compounds that have recently attracted considerable attention worldwide because of its high persistence and wide distribution in the environment. Among the spectroscopic methods used to study the PFASA, {sup 19}F nuclear magnetic resonance (NMR {sup 19}F) is very effective, due to its ability to determine concentrations of PFASA in biological samples and measure pollution in water samples. For this reason, a theoretical study of the properties of {sup 19}F NMR was performed. In this study we have determined the shielding constant ({sigma}) for different fluorine nucleus of the 18 molecules under study, using density functional theory (DFT) and GIAO method with the B3PW91/6-31+G(d,p) level of calculation. The {sigma} calculations were made at vacuum and in presence of a solvent. The values of chemical shifts ({delta}), were also calculated in a different level of theory. The best results were obtained with the level of calculation DFT-GIAO/B3PW91/6-31+G(d,p) by considering the solvent such as dimethylsulfoxide (DMSO), chloroform (CHCl{sub 3}), acetone (CH{sub 3}COCH{sub 3}) and methanol (CH{sup 3}OH). The results were interpreted in terms of calculated hardness at DFT/B3PW91/6-31+G(d, p) level. The behaviour of the hardness was higher in the molecules of four carbons PFASA than eight carbons. This explain theoretically resistance of four carbons PFAS to be transformed into perfluorobutanesulfonate (PFBS). (author)
Rustad, James R.; Felmy, Andrew R.; Hay, Benjamin P.
1996-05-01
A new approach to estimating stability constants for proton binding in multisite surface complexation models is presented. The method is based on molecular statics computation of energies for the formation of proton vacancies and interstitials in ideal periodic slabs representing the (100), (110), (010), (001), and (021) surfaces of goethite. Gas-phase energies of clusters representing the hydrolysis products of ferric iron are calculated using the same potential energy functions used for the surface. These energies are linearly related to the hydrolysis constants for ferric iron in aqueous solution. Stability constants for proton binding at goethite surfaces are estimated by assuming the same log K- Δ E relationship for goethite surface protonation reactions. These stability constants predict a pH of zero charge of 8.9, in adequate agreement with measurements on CO 2-free goethite. The estimated stability constants differ significantly from previous estimations based on Pauling bond strength. We find that nearly all the surface oxide ions are reactive; nineteen of the twenty-six surface sites investigated have log Kint between 7.7 and 9.4. This implies a site density between fifteen and sixteen reactive sites/nm for crystals dominated by (110) and (021) crystal faces.
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Zhou, Zhaobo [Key Laboratory of Advanced Materials of Yunnan Province & Key Laboratory of Advanced Materials of Non-Ferrous and Precious Rare Metals Ministry of Education, Kunming University of Science and Technology, Kunming 650093 (China); Zhou, Xiaolong, E-mail: kmzxlong@163.com [Key Laboratory of Advanced Materials of Yunnan Province & Key Laboratory of Advanced Materials of Non-Ferrous and Precious Rare Metals Ministry of Education, Kunming University of Science and Technology, Kunming 650093 (China); Zhang, Kunhua [State Key Laboratory of Rare Precious Metals Comprehensive Utilization of New Technologies, Kunming Institute of Precious Metals, Kunming 650106 (China)
2016-12-15
First-principle calculations were performed to investigate the structural, phase stability, electronic, elastic properties and hardness of monoclinic structure IrN{sub 2} (m-IrN{sub 2}), orthorhombic structure IrN{sub 2} (o-IrN{sub 2}) and zinc blende structure IrN (ZB IrN). The results show us that only m-IrN{sub 2} is both thermodynamic and dynamic stability. The calculated band structure and density of states (DOS) curves indicate that o-IrN{sub 2} and ZB Ir-N compounds we calculated have metallic behavior while m-IrN{sub 2} has a small band gap of ~0.3 eV, and exist a common hybridization between Ir-5d and N-2p states, which forming covalent bonding between Ir and N atoms. The difference charge density reveals the electron transfer from Ir atom to N atom for three Ir-N compounds, which forming strong directional covalent bonds. Notable, a strong N-N bond appeared in m-IrN{sub 2} and o-IrN{sub 2}. The ratio of bulk to shear modulus (B/G) indicate that three Ir-N compounds we calculated are ductile, and ZB IrN possesses a better ductility than two types IrN{sub 2}. m-IrN{sub 2} has highest Debye temperature (736 K), illustrating it possesses strongest covalent bonding. The hardness of three Ir-N compounds were also calculated, and the results reveal that m-IrN{sub 2} (18.23 GPa) and o-IrN{sub 2} (18.02 GPa) are ultraincompressible while ZB IrN has a negative value, which may be attributed to phase transition at ca. 1.98 GPa.
Energy Technology Data Exchange (ETDEWEB)
Song, T., E-mail: songting_lzjtu@yeah.net [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); School of Material Science and Engineering, Lanzhou University of Technology, Lanzhou 730050 (China); Ma, Q. [School of Material Science and Engineering, Lanzhou University of Technology, Lanzhou 730050 (China); Sun, X.W., E-mail: xsun@carnegiescience.edu [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015 (United States); Liu, Z.J., E-mail: liuzj_lzcu@163.com [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Department of Physics, Lanzhou City University, Lanzhou 730070 (China); Fu, Z.J. [School of Electrical and Electronic Engineering, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Wei, X.P.; Wang, T.; Tian, J.H. [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China)
2016-09-07
The phase transition, electronic band structure, and equation of state (EOS) of cubic TcN are investigated by first-principles pseudopotential method based on density-functional theory. The calculated enthalpies show that TcN has a transformation between zincblende and rocksalt phases and the pressure determined by the relative enthalpy is 32 GPa. The calculated band structure indicates the metallic feature and it might make cubic TcN a better candidate for hard materials. Particular attention is paid to the predictions of volume, bulk modulus and its pressure derivative which play a central role in the formulation of approximate EOSs using the quasi-harmonic Debye model. - Highlights: • The phase transition pressure and electronic band structure for cubic TcN are determined. • Particular attention is paid to investigate the equation of state parameters for cubic TcN. • The thermodynamic properties up to 80 GPa and 3000 K are successfully predicted.
Senkerik, Roman; Oplatkova, Zuzana; Zelinka, Ivan; Davendra, Donald; Jasek, Roman
2012-11-01
This research deals with a synthesis of control law for selected discrete chaotic system - logistic equation by means of analytic programming. The novelty of the approach is that a tool for symbolic regression - analytic programming - is used for the purpose of stabilization of higher periodic orbits - oscillations between several values of chaotic system. The paper consists of the descriptions of analytic programming as well as used chaotic system and detailed proposal of cost function used in optimization process. For experimentation, Self-Organizing Migrating Algorithm (SOMA) with analytic programming and Differential evolution (DE) as second algorithm for meta-evolution were used.
Cao, Peiyu; Tian, F Y; Wang, Yandong
2017-08-23
Ti-Mo alloys are promising materials for shape memory alloys and biomedical materials. Whereas, the appearance of metastable ω phase can cause embrittlement and destroy the shape memory effect. In order to avoid the ω phase, the effect of Mo on the temperature dependent lattice parameters, phase stability and elastic mechanical properties of β, α, and ω Ti1-xMox (x = 0~2.0) random alloys was systematically investigated by using the exact muffin-tin orbitals method in combination with the coherent potential approximation. The theoretical predictions for the lattice parameters are in good agreement with the available experiments. Results show that β Ti0.96Mo0.04 can almost transform to ω phase without lattice deformation and volume change, which suggests that the athermal ω phase is easier to precipitate and grow near 4 at.% Mo content in the β Ti1-xMox alloys. The critical content of Mo for the competed stabilization of β phase at T = 300 K is ~11.2 at.%. Its valence electron concentration of 4.224 is viewed as a necessary criterion for the competed phase stability. The calculations of formation energy are used to explain successfully why the partitioning of Mo can be found in Ti0.91Mo0.09 alloy after annealing. Through the analysis of formation energy, both Mo addition and increasing temperature can stabilize the β phase. The calculated Cauchy pressure, Pugh's ratio, Poisson ratio, and Young's modulus suggests that ω phase is intrinsically brittle and has large Young's modulus compared with β and α phases. © 2017 IOP Publishing Ltd.
Borque-Fernando, Á; Esteban-Escaño, L M; Rubio-Briones, J; Lou-Mercadé, A C; García-Ruiz, R; Tejero-Sánchez, A; Muñoz-Rivero, M V; Cabañuz-Plo, T; Alfaro-Torres, J; Marquina-Ibáñez, I M; Hakim-Alonso, S; Mejía-Urbáez, E; Gil-Fabra, J; Gil-Martínez, P; Ávarez-Alegret, R; Sanz, G; Gil-Sanz, M J
2016-04-01
To prevent the overdiagnosis and overtreatment of prostate cancer (PC), therapeutic strategies have been established such as active surveillance and focal therapy, as well as methods for clarifying the diagnosis of high-grade prostate cancer (HGPC) (defined as a Gleason score ≥7), such as multiparametric magnetic resonance imaging and new markers such as the 4Kscore test (4KsT). By means of a pilot study, we aim to test the ability of the 4KsT to identify HGPC in prostate biopsies (Bx) and compare the test with other multivariate prognostic models such as the Prostate Cancer Prevention Trial Risk Calculator 2.0 (PCPTRC 2.0) and the European Research Screening Prostate Cancer Risk Calculator 4 (ERSPC-RC 4). Fifty-one patients underwent a prostate Bx according to standard clinical practice, with a minimum of 10 cores. The diagnosis of HGPC was agreed upon by 4 uropathologists. We compared the predictions from the various models by using the Mann-Whitney U test, area under the ROC curve (AUC) (DeLong test), probability density function (PDF), box plots and clinical utility curves. Forty-three percent of the patients had PC, and 23.5% had HGPC. The medians of probability for the 4KsT, PCPTRC 2.0 and ERSPC-RC 4 were significantly different between the patients with HGPC and those without HGPC (p≤.022) and were more differentiated in the case of 4KsT (51.5% for HGPC [25-75 percentile: 25-80.5%] vs. 16% [P 25-75: 8-26.5%] for non-HGPC; p=.002). All models presented AUCs above 0.7, with no significant differences between any of them and 4KsT (p≥.20). The PDF and box plots showed good discriminative ability, especially in the ERSPC-RC 4 and 4KsT models. The utility curves showed how a cutoff of 9% for 4KsT identified all cases of HGPC and provided a 22% savings in biopsies, which is similar to what occurs with the ERSPC-RC 4 models and a cutoff of 3%. The assessed predictive models offer good discriminative ability for HGPCs in Bx. The 4KsT is a good classification
Energy Technology Data Exchange (ETDEWEB)
Djukanovic, M. (Inst. ' Nikola Tesla' , Belgrade (Yugoslavia)); Sobajic, D.J.; Yohhan Pao (Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Electrical Engineering and Applied Physics Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Computer Engineering and Science AI WARE inc., Cleveland, OH (United States))
1992-10-01
In heavily stressed power systems, post-fault transient voltage dips can lead to undesired tripping of industrial drives and large induction motors. The lowest transient voltage dips occur when fault clearing times are less than critical ones. In this paper, we propose a new iterative analytical methodology to obtain more accurate estimates of voltage dips at maximum angular swing in direct transient stability analysis. We also propose and demonstrate the possibility of storing the results of these computations in the associative memory (AM) system, which exhibits remarkable generalization capabilities. Feature-based models stored in the AM can be utilized for fast and accurate prediction of the location, duration and the amount of the worst voltage dips, thereby avoiding the need and cost for lengthy time-domain simulations. Numerical results obtained using the example of the New England power system are presented to illustrate our approach. (Author)
Karthikeyan, S; Sedlak, Robert; Hobza, Pavel
2011-09-01
Weak, medium, and strong charge-transfer (CT) complexes containing various electron donors (C(2)H(4), C(2)H(2), NH(3), NMe(3), HCN, H(2)O) and acceptors (F(2), Cl(2), BH(3), SO(2)) were investigated at the CCSD(T)/complete basis set (CBS) limit. The nature of the stabilization for these CT complexes was evaluated on the basis of perturbative NBO calculations and DFT-SAPT/CBS calculations. The structure of all of the complexes was determined by the counterpoise-corrected gradient optimization performed at the MP2/cc-pVTZ level, and most of complexes possess a linear-like contact structure. The total stabilization energies lie between 1 and 55 kcal/mol and the strongest complexes contain BH(3) as an electron acceptor. When ordering the electron donors and electron acceptors on the basis of these energies, we obtain the same order as that based on the perturbative E2 charge-transfer energies, which provides evidence that the charge-transfer term is the dominant energy contribution. The CCSD(T) correction term, defined as the difference between the CCSD(T) and MP2 interaction energies, is mostly small, which allows the investigation of the CT complexes of this type at the "cheap" MP2/CBS level. In the case of weak and medium CT complexes (with stabilization energy smaller than about 15 kcal/mol), the dominant stabilization originates in the electrostatic term; the dispersion as well as induction and δ(HF) terms covering the CT energy contribution are, however, important as well. For strong CT complexes, induction energy is the second (after electrostatic) most important energy term. The role of the induction and δ(HF) terms is unique and characteristic for CT complexes. For all CT complexes, the CCSD(T)/CBS and DFT-SAPT/CBS stabilization energies are comparable, and surprisingly, it is true even for very strong CT complexes with stabilization energy close to 50 kcal/mol characteristic by substantial charge transfer (more than 0.3 e). It is thus possible to conclude
Bannikov, V. V.; Shein, I. R.; Ivanovskiĭ, A. L.
2007-09-01
Using the full-potential linearized augmented plane wave method (FLAPW) and the WIEN2k software package, calculations of the band structure and the elastic and magnetic properties of the ternary antiperovskite carbides MCNi3, where M = Y, Zr, ..., Ag (overall, nine compounds) are performed and the features of interatomic interactions in them are considered. Stability of these antiperovskite compounds depending on the 4 d metal is discussed based on the calculated energies of formation of MCNi3 from the corresponding elements (according to the formal reaction M + C + 3Ni → MCNi3), and the conclusion is drawn that the YCNi3, ZrCNi3, and PdCNi3 antiperovskites can be synthesized. The obtained results are compared with the available data on known isostructural nickel-based carbides (antiperovskites MgCNi3, ZnCNi3).
Zapata-Rivera, Jhon; Caballol, Rosa; Calzado, Carmen J
2011-04-30
A computational strategy to analyze Cu-O(2) adducts based on the use of difference-dedicated configuration interaction (DDCI) calculations is presented. The electronic structure, vertical gaps and nature of the metal-O(2) interaction, and the extension of the charge transfer between both fragments have been investigated. Relative stabilities between isomers are determined from triplet states CCSD(T) calculations. The key point of the here proposed strategy rests on the use of a rationally designed active space, containing only those orbitals, which optimize the interaction pathways between LCu and O(2) fragments. The procedure has been tested on a broad set of model and synthetic biomimetic systems, the results compared with previous theoretical evaluations and/or available experimental data. Our study indicates that this strategy can be considered as an alternative approach to multireference second-order perturbation theory methods to deal with this type of systems with remarkable biradical nature.
Directory of Open Access Journals (Sweden)
Rulina Suradi
2006-12-01
Full Text Available Background Kangaroo mother care (KMC has been accepted as an effective method in nursing low birth weight infant (LBWI. However, the application of this method in the early life of infants has not been studied in Indonesia. Objective To evaluate some physiologic parameters of LBWI treated with early KMC compared to conventional method. Methods This was a randomized clinical-trial, which compared early KMC to conventional method in stabilizing LBWI in the first 4 hours of life. All LBWI (birth weight 1500-2499 g bom at Cipto Mangunkusumo Hospital and Budi Kemuliaan Matemity Hospital Jakarta were recruited consecutively in the period of November 2001 until March 2002. The inclusion criteria were spontaneous delivery, APGAR scores 13t and 5th minute 37, and parental consent. Results Sixty-four subjects distributed evenly into early KMC group and control group. One subject in the KMC group and three subjects in the control group were excluded due to respiratory distress. The mean birth weight was 2091 (SO 299.4 g in the KMC group and 2184 (SO 214.9 g inthe control group. The mean gestational-age in both groups was 35.6 (SO 3.0 weeks. There were no statistical differences in mean temperature (P=0.281, heart rate (P=0.956, and respiratory rate (P=0.898 between the two groups during the first 4 hours of life. We found a larger proportion of infants reaching the temperature of 36.5QC in the KMC group, especially at one hour (49% vs. 7%; the difference of proportion was 0.42 (95%CI 0.22 to 0.61. Conclusion Early KMC method is proved to be as safe as conventional method in stabilizing healthy LBWI.
Energy Technology Data Exchange (ETDEWEB)
Manning, Karessa L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dolislager, Fredrick G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bellamy, Michael B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2016-11-01
The Preliminary Remediation Goal (PRG) and Dose Compliance Concentration (DCC) calculators are screening level tools that set forth Environmental Protection Agency's (EPA) recommended approaches, based upon currently available information with respect to risk assessment, for response actions at Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) sites, commonly known as Superfund. The screening levels derived by the PRG and DCC calculators are used to identify isotopes contributing the highest risk and dose as well as establish preliminary remediation goals. Each calculator has a residential gardening scenario and subsistence farmer exposure scenarios that require modeling of the transfer of contaminants from soil and water into various types of biota (crops and animal products). New publications of human intake rates of biota; farm animal intakes of water, soil, and fodder; and soil to plant interactions require updates be implemented into the PRG and DCC exposure scenarios. Recent improvements have been made in the biota modeling for these calculators, including newly derived biota intake rates, more comprehensive soil mass loading factors (MLFs), and more comprehensive soil to tissue transfer factors (TFs) for animals and soil to plant transfer factors (BV's). New biota have been added in both the produce and animal products categories that greatly improve the accuracy and utility of the PRG and DCC calculators and encompass greater geographic diversity on a national and international scale.
Semenyuk, N. P.; Trach, V. M.; Zhukova, N. B.; Vlasuk, D. S.
2015-05-01
The nonlinear deformation and stability of composite shells are estimated by using the Timoshenko-Mindlin theory of anisotropic shells. The resolving system of equations is presented in a mixed form in displacements, forces, and moments. For its derivation, a modified version of the generalized Hu-Washizu variational principle formulated in rates for a quasi-static problem is used. However, instead of differentiation with respect to time, displacements, stresses, and loads are assumed to depend on a parameter, for which it is advisable to take the length of the arc of equilibrium states, as demonstrated in some studies. On variation of this parameter, the shell-load system can occur either at regular or singular points. A boundary value problem is formulated in the form of a normal system of differential equations in the derivatives of displacements, forces, and moments. In the separation of variables, the Fourier series are used in a complex form. The boundary value problem is solved by the Godunov discrete orthogonalization method in the field of complex numbers. Then, the Cauchy problem is solved by using known methods. Using the methodology developed, an analysis of the influence of composite properties and parameters of the layered structures on the form of the equilibrium curves of cylindrical shells is carried out. The mechanical characteristics of the initial elementary layers of the reinforced material are determined by the micromechanics methods developed by Eshelby, Mori-Tanaka, and Vanin.
Roskam, J.; Lan, C.; Mehrotra, S.
1972-01-01
The computer program used to determine the rigid and elastic stability derivatives presented in the summary report is listed in this appendix along with instructions for its use, sample input data and answers. This program represents the airplane at subsonic and supersonic speeds as (a) thin surface(s) (without dihedral) composed of discrete panels of constant pressure according to the method of Woodward for the aerodynamic effects and slender beam(s) for the structural effects. Given a set of input data, the computer program calculates an aerodynamic influence coefficient matrix and a structural influence coefficient matrix.
Shin-ya, Kei; Takahashi, Osamu; Katsumoto, Yukiteru; Ohno, Keiichi
2007-02-01
Contributions of the intramolecular CH⋯π and CH⋯O interactions to the molecular conformation of benzyl methyl ether (BME) have been investigated by matrix-isolation infrared (IR) spectroscopy combined with quantum chemical calculations. Comparative investigations have been carried out for propylbenzene. Quantum chemical calculations predict that there are two conformers for BME; for the ET conformer the methyl ether and the phenyl groups lie in the plane of the benzene ring, while for the AG conformer they are out of the plane. Comparison between the observed and calculated spectra for BME reveals that the ET and AG conformers coexist in an Ar matrix. By measuring matrix-isolation IR spectra of BME deposited at different gas temperatures, the enthalpy difference (Δ H (AG - ET)) between ET and AG conformers was determined to be -1.03 ± 0.06 kJ mol -1. The experimental and calculation results indicate that the AG conformer of BME is stabilized by the intramolecular CH⋯π and CH⋯O interactions.
New method of calculating fuzzy reliability of hydraulic cylinder stability%液压缸稳定性模糊可靠度计算的新方法
Institute of Scientific and Technical Information of China (English)
龚相超; 胡百鸣; 韩芳
2011-01-01
There are many factors to influence the critical press of the hydraulic cylinder. The action mechanism is not entirely clear about how various parts of the hydraulic cylinder work on its stability, moreover, the load of the hydraulic cylinder is fuzzy and random. In the paper, the fuzzy reliability of the hydraulic cylinder stability is calculated according to mechanical fuzzy reliability theory, which provides an important reference for the design of the hydraulic cylinder. In addition, linear membership function is used for the critical pressure of the hydraulic cylinder, and the load is a kind of random variable which is normallydistributed. The calculation example shows that the method is effective.%根据机械模糊可靠性理论，笔者计算了液压缸稳定性的模糊可靠度，为液压缸设计提供了一个重要的参照指标。计算液压缸临界压力采用了线性隶属度函数，工作载荷为正态分布的随机变量，计算实例证明了该计算方法的有效性。
Kong, Yuanyuan; Duan, Yonghua; Ma, Lishi; Li, Runyue
2016-10-01
By performing first-principles calculations within the generalized gradient approximation, the phase stability, elastic constant and anisotropy, and density of states of cubic C15-type MAl2 (M = Mg, Ca, Sr and Ba) Laves phases have been investigated. Optimized equilibrium lattice parameters and formation enthalpies agree well with the available experimental data. Elastic constants C ij have been evaluated, and these C15-type MAl2 Laves phases are mechanically stable due to the meeting of C ij to the mechanical stability criteria. Polycrystalline elastic moduli have been deduced from elastic constants by Voigt-Reuss-Hill approximation. Plastic properties were characterized via values of B/G, Poisson’s ratio ν and Cauchy pressure (C 12-C 44). The elastic anisotropy has been considered by several anisotropy indexes (A U , A Z , A shear and A comp), anisotropy of shear modulus, and 3D surface constructions of bulk and Young’s moduli. Additionally, the sound velocity anisotropy and Debye temperature were predicted. Finally, electronic structures were carried out to reveal the underlying phase stability mechanism of these Laves phases.
Li, Chun-Mei; Yang, Rui; Johansson, Börje; Vitos, Levente
2016-12-01
The composition-dependent crystal structure, volume, elastic constants, and electronic structure of δ -Pu1 -xMx (M =Ga and Al,0 ≤x ≤0.1 ) alloys are systematically studied by using first-principles EMTO-CPA calculations. It is shown that the fcc and L 12 structures co-exist in the alloys with x ≤0.04 whereas for x >0.04 , the L 12 structure is more and more preferable and around x =0.1 , it tends to be stabilized alone. The evaluated V ˜x of the L 12 structure, being negative deviation from Vegard's law, turns out to be in good agreement with the experimental result. For x ≤0.04 , the estimated E , G , ν , and Θ of both the fcc and L 12 structures are in line with the measured data, whereas when x >0.04 , only those of the L 12 structure are close to the experimental results. The electronic hybridization between Pu and M atoms is dominated by Pu for the s ,d , and f states but M for the p state. The strong interactions between Pu and M atoms in the same site of the L 12 structure should be responsible for its relative stability in the alloys with x >0.04 . The electron-phonon coupling further decreases the phase stability of δ -Pu1 -xMx with increasing x .
Balachandran, R; ter Haar, E; Welsh, M J; Grant, S G; Day, B W
1998-01-01
(+)-Discodermolide, a sponge-derived natural product, stabilizes microtubules more potently than paclitaxel despite the lack of any obvious structural similarities between the drugs. It competitively inhibits the binding of paclitaxel to tubulin polymers, hypernucleates microtubule assembly more potently than paclitaxel, and inhibits the growth of paclitaxel-resistant ovarian and colon carcinoma cells. Because paclitaxel shows clinical promise for breast cancer treatment, its effects in a series of human breast cancer cells were compared to those of (+)-discodermolide. Growth inhibition, cell and nuclear morphological, and electrophoretic and flow cytometric analyses were performed on (+)-discodermolide-treated MCF-7 and MDA-MB231 cells. (+)-Discodermolide potently inhibited the growth of both cell types (IC50 Discodermolide-treated cells exhibited condensed and highly fragmented nuclei. Flow cytometric comparison of cells treated with either drug at 10 nM, a concentration well below that achieved clinically with paclitaxel, showed both caused cell cycle perturbation and induction of a hypodiploid cell population. (+)-Discodermolide caused these effects more extensively and at earlier time points. The timing and type of high molecular weight DNA fragmentation induced by the two agents was consistent with induction of apoptosis. The results suggest that (+)-discodermolide has promise as a new chemotherapeutic agent against breast and other cancers.
Energy Technology Data Exchange (ETDEWEB)
Kucharyson, J. F.; Cheng, L.; Tung, S. O.; Curtiss, L. A.; Thompson, L. T.
2017-07-14
New active materials are needed to improve the performance and reduce the cost of non-aqueous redox flow batteries (RFBs) for grid-scale energy storage applications. Efforts to develop better performing materials, which have largely been empirical, would benefit from a better understanding of relationships between structural, electronic and RFB-relevant functional properties. This paper focuses on metal-acetylacetonates, a class of metal coordination complexes that has shown promise for use in RFBs, and describes correlations between their experimentally measured standard potentials, solubilities, and stabilities (cycle lifes), and selected chemical, structural and electronic properties determined from Density Functional Theory (DFT) calculations. The training set consisted of 16 complexes including 5 different metals and 11 different substituents on the acetylacetonate ligand. Standard potentials for those compounds were calculated and are in good agreement with experimentally measured results. A predictive equation based on the solvation energies and dipole moments, two easily computed properties, reasonably modeled the experimentally determined solubilities. Importantly, we were able to identify a descriptor for the stability of acetylacetonates. The experimentally determined stability, quantified as the cycle life to a given degree of degradation, correlated with the percentage of the highest occupied (HOMO) or lowest unoccupied molecular orbital (LUMO) on the metal of the complex. This percentage is influenced by the degree of ligand innocence (irreducibility), and complexes with the most innocent ligands yielded the most stable redox reactions. To this end, VO(acetylacetonate)(2) and Fe(acetylacetonate)(3), with nearly 80% of the HOMO and LUMO on the metal, possessed the most stable oxidation and reduction half-reactions, respectively. The structure-function relationships and correlations presented in this paper could be used to predict new, highly soluble
Energy Technology Data Exchange (ETDEWEB)
Imai, Yoji, E-mail: imai-y@aist.go.jp [National Institute of Advanced Industrial Science and Technology, AIST Tsukuba Central 5, Higashi 1-1, Tsukuba, Ibaraki 305-8565 (Japan); Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennohdai, Tsukuba, Ibaraki 305-8573 (Japan); Sohma, Mitsugu [National Institute of Advanced Industrial Science and Technology, AIST Tsukuba Central 5, Higashi 1-1, Tsukuba, Ibaraki 305-8565 (Japan); Suemasu, Takashi [Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennohdai, Tsukuba, Ibaraki 305-8573 (Japan)
2014-10-25
Highlights: • Formation energies of tri-, tetra-, and octa-metal nitrides of Fe, Co and Ni were calculated. • It is predicted that Fe{sub 4}N is stable, Ni{sub 4}N is metastable, and Co{sub 4}N is unstable. • Octa-metal nitrides with the α″-Fe{sub 16}N{sub 2} type structure is stable only for Fe. • All the tri-metal nitrides with the Ni{sub 3}N type structure are stable. - Abstract: Formation energies and magnetic moments of tri-, tetra-, and octa- ferromagnetic element nitrides have been calculated using spin-polarized Perdew–Wang generalized gradient approximations of the density functional theory. From the energetic point of view, Fe{sub 4}N are more stable compared to Fe and N{sub 2} gas. Ni{sub 4}N may be a metastable phase since mixture of Ni{sub 3}N and Ni would be more energetically stable. Fe{sub 4}N may be also a metastable from energetic point of view but effect of configurational entropy caused by N-vacancy and of disregarded random occupation of interstitial sites by N observed in Fe{sub 3}N must be evaluated so as to make precise evaluation, which is beyond the scope of the present work. Co{sub 4}N are not stable compared to Co metal with the hcp structure and N{sub 2} gas, but more stable in case Co metal with the fcc structure is used as a reference state. Only Fe{sub 8}N with the α″-Fe{sub 16}N{sub 2} type structure would be stable among octa-metal nitrides with the assumed structure of the α″-Fe{sub 16}N{sub 2} type and the Ni{sub 32}N{sub 4} type structure. All of Fe{sub 3}N, Co{sub 3}N, and Ni{sub 3}N are stable, but Ni{sub 3}N would be non-magnetic in contrast to ferromagnetism of other tri-metal nitrides.
Klaassen, Joshua J; Darkhalil, Ikhlas D; Deodhar, Bhushan S; Gounev, Todor K; Gurusinghe, Ranil M; Tubergen, Michael J; Groner, Peter; Durig, James R
2013-08-01
The FT-microwave spectrum of cyclobutylcarboxylic acid chloride, c-C4H7C(O)Cl, has been recorded and 153 transitions for the (35)Cl and (37)Cl isotopologues have been assigned for the gauche-equatorial (g-Eq) conformation. The ground state rotational constants were determined for (35)Cl [(37)Cl]: A = 4349.8429(25) [4322.0555(56)] MHz, B = 1414.8032(25) [1384.5058(25)] MHz, and C = 1148.2411(25) [1126.3546(25)] MHz. From these rotational constants and ab initio predicted parameters, adjusted r0 parameters are reported with distances (Å) rCα-C = 1.491(4), rC═O = 1.193(3), rCα-Cβ = 1.553(4), rCα-Cβ' = 1.540(4), rCγ-Cβ = 1.547(4), rCγ-Cβ' = 1.546(4), rC-Cl = 1.801(3) and angles (deg) τCγCβCβ'Cα = 30.9(5). Variable temperature (-70 to -100 °C) infrared spectra (4000 to 400 cm(-1)) were recorded in liquid xenon and the g-Eq conformer was determined the most stable form, with enthalpy differences of 91 ± 9 cm(-1) (1.09 ± 0.11 kJ/mol) for the gauche-axial (g-Ax) form and 173 ± 17 cm(-1) (2.07 ± 0.20 kJ/mol) for the trans-equatorial (t-Eq) conformer. The relative amounts at ambient temperature are 54% g-Eq, 35 ± 1% g-Ax, and 12 ± 1% t-Eq forms. Vibrational assignments have been provided for the three conformers and theoretical calculations were carried out. The results are discussed and compared to corresponding properties of related molecules.
Institute of Scientific and Technical Information of China (English)
Di WU; Wan-tang FU; Yong LI; Chun-xu WANG; Jing-lin TANG
2016-01-01
Phase stability,elastic properties,thermo-physical properties,as well as electronic properties of hexa-(Mo,Cr,W )2 C carbides were investigated by first-principles calculations.The results indicated that the Mo8 C4 , Mo7 Cr1 C4 ,Mo7 W1 C4 ,Mo6 W2 C4 ,and Mo6 W1 Cr1 C4 are stable and the stability follows the sequence:Mo6 W1 Cr1 C4>Mo7 W1 C4>Mo7 Cr1 C4>Mo6 W2 C4>Mo8 C4 .Mo6 W1 Cr1 C4 shows the highest stability,deformation resistance and hardness.G/B (shear modulus/bulk modulus)and Poisson′s ratio of the stable hexa-(Mo,Cr,W)2 C are all larger than 1.75 and 0.26,respectively,which indicates that they are all brittle.The anisotropies are mainly due to the dif-ferent Vogit shear modulus/Reuss shear modulus;the mechanical anisotropy of Mo7 Cr1 C4 is the largest,and that of Mo8 C4 is the smallest.Moreover,the obtained Debye temperatureΘD and heat capacity Cp indicate that Mo6 W2 C4 possesses the best thermal conductivity (ΘD=497.72 K),while Mo7 Cr1 C4 and Mo6 W2 C4 possess the largest heat capacity when the temperature is in the range of 0-10 K and larger than 10 K,respectively.From the electronic property analysis,the doped Cr and W atoms can not only participate in orbitals hybridization themselves but also enhance the orbitals hybridization between Mo and C atoms,which can reinforce the interatomic interactions.
关于挡土墙抗倾覆稳定性的计算%Calculation of Stability Against Overturning of Retaining Wall
Institute of Scientific and Technical Information of China (English)
姚存锴; 吴钊
2016-01-01
经研究认为，有些文献介绍的岩基上挡土墙抗倾覆稳定安全系数计算新公式存在一定问题。建议仍用传统的公式计算，传统公式合理、意义明确、其结果唯一。对土基上挡土墙，当基底应力的最大值与最小值之比值满足规范要求时，挡土墙抗倾覆稳定安全系数满足规范要求，即挡土墙抗倾覆稳定，挡土墙抗倾覆稳定性无需验算。%The new formula for calculation of the safety factor of the stability against overturning of the retaining wall on rock foundation is doubted. It suggests that the conventional formula shall be still utilized because it is rational, its meaning is definite and the result is sole. Regarding the retaining wall on the earth and when the ratio of the maximum value to the minimum value of the stress on the foundation bot-tom satisfies the requirement in the code, the safety factor of the stability against overturning of the retaining wall meets the requirement in the code. Namely, the retaining wall against overturning is stable. Its stability against overturning is not necessary to verify.
Chen, Qianghua; Zhang, Mengce; Liu, Shuaijie; He, Yongxi; Luo, Huifu; Luo, Jun; Lv, Weiwei
2016-12-01
At present the formulae proposed by G Boensch and E Potulski in 1998 (Boensch and Potulski 1998 Metrologia 35 133-9) are mostly used to calculate the air refractive index. However, the humidity correction equation in the formulae is derived by using the light source of a Cd lamp whose light frequency stability is poor and at a narrow temperature range, around 20 °C. So it is no longer suitable in present optical precision measurements. To solve this problem, we propose a refractive index measurement system based on phase step interferometer with three frequency stabilized lasers (532 nm, 633 nm, 780 nm), corrected coefficients of the humidity are measured and a corresponding revised humidity correction equation is acquired. Meanwhile, the application temperature range is extended from 14.6 °C to 25.0 °C. The experiment comparison results at the temperature of 22.2-23.2 °C show the accuracy by the presented equation is better than that of Boensch and Potulski.
重力式泥石流拦挡坝稳定性计算%Calculation of the Stability of the Gravity Dam in Front of Debris Flows
Institute of Scientific and Technical Information of China (English)
吴玮江; 冯乐涛
2012-01-01
Based on the structure types, the combination of loads and other characteristics of thdam, the Calculation of the stability of the gravity dam is discussed. The method of calculations and formulas are put forward, and they can promote the reliability and safety of the dam in design and reduce the damages of debris flows.%在分析重力式拦挡坝的结构形式、受力荷载组合及变化特征的基础上,对重力式泥石流拦挡坝稳定性计算问题进行了探讨,规范和统一了重力式拦挡坝的稳定性计算方法和公式以及不同地震烈度区地震角的取值,工程实践证明,这套方法简单可靠,可保证重力式泥石流拦挡坝的可靠性和安全性.
Energy Technology Data Exchange (ETDEWEB)
Cuskelly, Dylan T., E-mail: Dylan.cuskelly@uon.edu.au [School of Engineering, The University of Newcastle, Callaghan, NSW 2308 (Australia); Richards, Erin R.; Kisi, Erich H. [School of Engineering, The University of Newcastle, Callaghan, NSW 2308 (Australia); Keast, Vicki J. [School of Mathematical and Physical Sciences, The University of Newcastle, Callaghan, NSW 2308 (Australia)
2015-10-15
A simple methodology for identifying possible higher order M{sub n+1}AX{sub n} phases (n≥2) from the chemical characteristics of known phases was developed. The method was used to identify two potential M{sub 3}AC{sub 2} phases Ti{sub 3}GaC{sub 2} and Ti{sub 3}InC{sub 2}. After verifying that the n=1 MAX phases in these systems could be synthesised in bulk using a simple pressureless reactive sintering process, the new phases were synthesised using the same method. DFT calculations were used to test the thermodynamic stability of the new phases against the known competing phases within the same ternary systems. Both were found to be stable although Ti{sub 3}InC{sub 2} only marginally so. Crystal structure refinements and comparison to other MAX phases revealed a linear increase in the c-axis length as a function of the atomic radius of the A element. - Highlights: • Chemical systematics were used to highlight a search window for new MAX phases. • Two new higher order MAX phases, Ti{sub 3}InC{sub 2} and Ti{sub 3}GaC{sub 2}, were synthesised. • Pressureless reactive sintering was effective in producing bulk material. • DFT calculations indicate that the new phases are stable.
Energy Technology Data Exchange (ETDEWEB)
Dolly, S [Washington University School of Medicine, Saint Louis, MO (United States); University of Missouri, Columbia, MO (United States); Chen, H; Anastasio, M; Mutic, S; Li, H [Washington University School of Medicine, Saint Louis, MO (United States)
2015-06-15
Purpose: Local noise power spectrum (NPS) properties are significantly affected by calculation variables and CT acquisition and reconstruction parameters, but a thoughtful analysis of these effects is absent. In this study, we performed a complete analysis of the effects of calculation and imaging parameters on the NPS. Methods: The uniformity module of a Catphan phantom was scanned with a Philips Brilliance 64-slice CT simulator using various scanning protocols. Images were reconstructed using both FBP and iDose4 reconstruction algorithms. From these images, local NPS were calculated for regions of interest (ROI) of varying locations and sizes, using four image background removal methods. Additionally, using a predetermined ground truth, NPS calculation accuracy for various calculation parameters was compared for computer simulated ROIs. A complete analysis of the effects of calculation, acquisition, and reconstruction parameters on the NPS was conducted. Results: The local NPS varied with ROI size and image background removal method, particularly at low spatial frequencies. The image subtraction method was the most accurate according to the computer simulation study, and was also the most effective at removing low frequency background components in the acquired data. However, first-order polynomial fitting using residual sum of squares and principle component analysis provided comparable accuracy under certain situations. Similar general trends were observed when comparing the NPS for FBP to that of iDose4 while varying other calculation and scanning parameters. However, while iDose4 reduces the noise magnitude compared to FBP, this reduction is spatial-frequency dependent, further affecting NPS variations at low spatial frequencies. Conclusion: The local NPS varies significantly depending on calculation parameters, image acquisition parameters, and reconstruction techniques. Appropriate local NPS calculation should be performed to capture spatial variations of
Salloom, R.; Banerjee, R.; Srinivasan, S. G.
2016-11-01
The effect of W, Mo, V, Ta, and Nb, five common β-stabilizing substitutional elements, on α-Ti stacking fault energy has been studied using first principle calculations. The generalized stacking fault energy (GSFE) curves have been determined for different concentrations of β-stabilizers at the fault plane using supercells with up to 360 atoms. Both basal and prismatic slip systems with the stable (γSF) and unstable (γUSF) stacking faults and twinning fault energies were determined. All the alloying elements reduce the stacking fault energy for Ti for both basal and prismatic slip. At higher concentration of 25 at. % of V, Ta, and Nb at the slip plane, the basal slip becomes more favorable than the prismatic slip in Ti. Ti-Mo and Ti-W systems also show a significant shift in the GSFE curve towards a higher shear deformation strain along due to the change in bond character between Ti and those two elements. Using Rice criterion, which employs γS/γUSF ratio to estimate ductility, we show that all the alloying elements likely improve the ductility of α-Ti with Ti-25 at. % Nb exhibiting the most ductile behavior. However, according to the Tadmor and Bernstein model, all the alloying elements considered here do not improve the partial dislocation emission or the twinning propensity in spite of decreasing the stacking fault energies for α-Ti and. Hence, a better empirical model that incorporates changes in the character of directional bonding upon alloying is needed to estimate how alloying influences ductility in hcp metals.
Arendse, Lauren; Blundell, Tom L; Blackburn, Jonathan
2013-09-01
We carried out an in silico structural analysis of 348 non-synonymous single nucleotide polymorphisms, found across nine of the major human drug metabolising cytochrome P450 isoforms, to determine the effects of mutations on enzyme structure and function. Previous functional studies in our group have delineated regions of the cytochrome P450 structure important for substrate recognition, substrate and product access and egress from the active site and interaction with the cytochrome P450 reductase. Here we combine the information from those studies with new in silico calculations on the effect of mutations on protein stability and we compare our results to experimental data in order to establish the likely causes of altered drug metabolism observed for cytochrome P450 variants in functional assays to date, in the process creating a cytochrome P450 polymorphic variant map. Using the computational tool Site Directed Mutator we predicted destabilising mutations that result in altered enzyme function in vitro with a specificity of 83%. We found that 75% of all cytochrome P450 mutations that show altered activity in vitro are either predicted to be destabilising to protein structure or are found within regions predicted to be important for catalytic activity. Furthermore, we found that 70% of the mutations that showed similar activity to the wild-type enzyme in in vitro studies lie outside of functional regions important for catalytic activity and are predicted to have no effect on protein stability. Our resultant cytochrome P450 polymorphic variant map should therefore find utility in predicting the likely functional effect of uncharacterised variants on drug metabolism.
Energy Technology Data Exchange (ETDEWEB)
Dixon, David A.; Wang, Tsang-Hsiu; Grant, Daniel J.; Peterson, Kirk A.; Christe, Karl O.; Schrobilgen, Gary J.
2007-11-12
The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Atomization energies at 0 K and heats of formation at 0 and 298 K are predicted for KrF⁺, KrF-, KrF₂, KrF₃⁺, KrF₄, KrF₅⁺, and KrF₆ from coupled-cluster theory (CCSD(T)) calculations with effective core potential correlation-consistent basis sets for krypton. To achieve near chemical accuracy (±1 kcal/mol), three corrections were added to the complete basis set binding energies based on frozen core coupled-cluster theory energies: a correction for corevalence effects, a correction for scalar relativistic effects, and a correction for first-order atomic spin-orbit effects. Vibrational zero point energies were computed at the coupled-cluster level of theory. The calculated value for the heat of formation of KrF₂ is in excellent agreement with the experimental value. Contrary to the analogous xenon fluorides, KrF₂, KrF₄, and KrF₆ are predicted to be thermodynamically unstable with respect to loss of F₂. An analysis of the energetics of KrF₄ and KrF₆ with respect to fluorine atom loss together with calculations of the transition states for the intramolecular loss of F₂ show that fluorine atom loss is the limiting factor determining the kinetic stabilities of these molecules. Whereas KrF₄ possesses a marginal energy barrier of 10 kcal/mol toward fluorine atom loss and might be stable at moderately low temperatures, the corresponding barrier in KrF₆ is only 0.9 kcal/mol, suggesting that it could exist only at very low temperatures. Although the simultaneous reactions of either two or four fluorine atoms with KrF₂ to give KrF₄ or KrF₆, respectively, are exothermic, they do not represent feasible synthetic approaches because the attack of
Energy Technology Data Exchange (ETDEWEB)
Ognibene, T J; Bench, G; Brown, T A; Vogel, J S
2005-12-13
Ion-optics calculations were performed for a new ion source and injection beam line. This source, which can accept both solid and gaseous targets, will be installed onto the 1-MV BioAMS spectrometer at the Center for Accelerator Mass Spectrometry, located at Lawrence Livermore National Laboratory and will augment the current LLNL cesium-sputter solid sample ion source. The ion source and its associated injection beam line were designed to allow direct quantification of {sup 14}C/{sup 12}C and {sup 3}H/{sup 1}H isotope ratios from both solid and gaseous targets without the need for isotope switching. Once installed, this source will enable the direct linking of a nanoflow LC system to the spectrometer to provide for high-throughput LC-AMS quantitation from a continuous flow. Calculations show that, for small samples, the sensitivity of the gas-accepting ion source could be precision limited but zeptomole quantitation should be feasible.
Energy Technology Data Exchange (ETDEWEB)
Toreti, Dalila; Xavier, Clarice; Moura, Fabio, E-mail: clarice.xavier@rem.ind.b, E-mail: fabio.moura@rem.ind.b [REM Industria e Comercio Ltda., Sao Paulo, SP (Brazil)
2011-10-26
The CyberKnife robotic system uses a manipulator with six grade of freedom for positioning a 6 MV Linac accelerator for treatment of lesions. This paper presents calculations for a standard room, with 200 cm of thickness walls primary, build for a CyberKnife system, and calculations for a room originally designed for a Linac conventional (with gantry), with secondary barriers of 107 cm thickness. After the realization of shielding for both rooms, the results shown that walls of standard room with 200 cm thickness are adequate for the secondary shield, and for a room with a conventional Linac, from all six evaluated points, two would require additional shielding of nine cm and four cm of concrete with 2.4 g/cubic cm. This shows that the CyberKnife system can be installed in a originally designed room for a conventional Linac with neither restrict nor any shielding, since no incidence of beams on the secondary barriers is existent
Preliminary Design of a LSA Aircraft Using Wind Tunnel Tests
Directory of Open Access Journals (Sweden)
Norbert ANGI
2015-12-01
Full Text Available This paper presents preliminary results concerning the design and aerodynamic calculations of a light sport aircraft (LSA. These were performed for a new lightweight, low cost, low fuel consumption and long-range aircraft. The design process was based on specific software tools as Advanced Aircraft Analysis (AAA, XFlr 5 aerodynamic and dynamic stability analysis, and Catia design, according to CS-LSA requirements. The calculations were accomplished by a series of tests performed in the wind tunnel in order to assess experimentally the aerodynamic characteristics of the airplane.
Dorrepaal, Ethy; Thomaes, Kathleen; Smit, Johannes H; Veltman, Dick J.; Hoogendoorn, Adriaan W.; van Balkom, Anton J. L. M.; Draijer, Nel
2013-01-01
Background: In the empirical and clinical literature, complex posttraumatic stress disorder (PTSD) and personality disorders (PDs) are suggested to be predictive of drop-out or reduced treatment effectiveness in trauma-focused PTSD treatment.Objective: In this study, we aimed to investigate if personality characteristics would predict treatment compliance and effectiveness in stabilizing complex PTSD treatment. Method: In a randomized controlled trial on a 20-week stabilizing group cognitive ...
Institute of Scientific and Technical Information of China (English)
2013-01-01
为分析110 kV并网电源对电网安全稳定影响，提出构建考虑110 kV并网电源计算网络的原则，通过建立模拟简单2区域电网，从机理上分析使用考虑110 kV并网电源计算网络与使用220 kV及以上电压等级计算网络得到不同暂态稳定计算结论的原因。通过构建湖南电网考虑110 kV并网电源计算网络，并开展牌长Ⅰ，Ⅱ与艳宗Ⅱ线外送功率极限计算，表明考虑110 kV并网电源计算网络对暂态稳定水平有较大提高，建议使用考虑110 kV并网电源计算网络开展稳定计算。%To analyze influences of 110 kV power supply on safety and stability, principles of constructing calculation network including 110 kV power supplies are presented.The different results of transient stability are explained based on 110 kV and low calculation network and 220 kV and above calculation, through simulating simple 2-area power network.Then calculation network of Hunan power system including 110 kV and low power supply is constructed.And the transmission limit of section made of Paichang ⅠⅡ and YanzongⅡ is calculated.The result shows that the transient stability based on calculation network including 110 kV and low supplies is improved.It is suggested that the stability calculation should be conduceted based on 110 kV and above power supplies calculation network.
Jones, Krista L.; Keith, Mackenzie K.; O'Connor, Jim E.; Mangano, Joseph F.; Wallick, J. Rose
2012-01-01
subject to incision and aggradation as well as lateral shifts in thalweg position and bank deposition and erosion. * In fluvial reaches, unit bar area declined a net 5.3-83.6 percent from 1939 to 2009. The documented reduction in bar area may be attributable to several factors, including vegetation establishment and stabilization of formerly active bar surfaces, lateral channel changes and resulting alterations in sediment deposition and erosion patterns, and streamflow and/or tide differences between photographs. Other factors that may be associated with the observed reduction in bar area but not assessed in this reconnaissance level study include changes in the sediment and hydrology regimes of these rivers over the analysis period. * In tidal reaches, unit bar area increased on the Tillamook and Nehalem Rivers (98.0 and 14.7 percent, respectively), but declined a net 24.2 to 83.1 percent in the other four tidal reaches. Net increases in bar area in the Tidal Tillamook and Nehalem Reaches were possibly attributable to tidal differences between the photographs as well as sediment deposition behind log booms and pile structures on the Tillamook River between 1939 and 1967. * The armoring ratio (ratio of the median grain sizes of a bar's surface and subsurface layers) was 1.6 at Lower Waldron Bar on the Miami River, tentatively indicating a relative balance between transport capacity and sediment supply at this location. Armoring ratios, however, ranged from 2.4 to 5.5 at sites on the Trask, Wilson, Kilchis, and Nehalem Rivers; these coarse armor layers probably reflect limited bed-material supply at these sites. * On the basis of mapping results, measured armoring ratios, and channel cross section surveys, preliminary conclusions are that the fluvial reaches on the Tillamook, Trask, Kilchis, and Nehalem Rivers are currently sediment supply-limited in terms of bed material - that is, the transport capacity of the channel generally exceeds the supply of bed material. The
Preliminary calculation of proliferation resistance of Pyroprocess
Energy Technology Data Exchange (ETDEWEB)
Yeop, Joung Sung; Chang, Soon Heung [Korea Advanced Institute Science and Technology, Daejeon (Korea, Republic of)
2010-10-15
We measured the proliferation resistance of Pyroprocess by using multi-attribute utility analysis method. This methodology is intended to allow for the assessment of the effectiveness of safeguards implementation at facilities within a large-scale fuel cycle and allow for the ability to choose technologies based in part on their effectiveness to deter the proliferation of nuclear materials. Pyroprocess may be the part of new Fuel cycle that includes PWR, fuel storage facilities, Pryoprocessing facilities, SFR, fuel repository facilities. In this paper we only focused on Pyroprocessing facilities as a single process
Energy Technology Data Exchange (ETDEWEB)
Nguyen, Son (ed.) [Canadian Nuclear Safety Commission (Canada); Lanru Jing (ed.) [Royal Institute of Technology, Stockholm (Sweden); Boergesson, Lennart [Clay Technology AB, Lund (Sweden); Chijimatzu, Masakazu [Hazama Corporation (Japan); Jussila, Petri [Helsinki Univ. of Technology, Helsinki (Finland); Rutqvist, Jonny [Lawrence Berkeley National Laboratory CA (United States)
2007-02-15
The DECOVALEX-THMC project is an ongoing international co-operative project that was stared in 2004 to support the development of mathematical models of coupled Thermal (T), Hydrological (H), Mechanical (M) and Chemical (C) processes in geological media for siting potential nuclear fuel waste repositories. The general objective is to characterise and evaluate the coupled THMC processes in the near field and far field of a geological repository and to assess their impact on performance assessment: - during the three phases of repository development: excavation phase, operation phase and post-closure phase; - for three different rocks types: crystalline, argillaceous and tuff; - with specific focus on the issues of: Excavation Damaged Zone (EDZ), permanent property changes of rock masses, and glaciation and permafrost phenomena. The project involves a large number of research teams supported by radioactive waste management agencies or governmental regulatory bodies in Canada, China, Finland, France, Germany, Japan, Sweden and USA, who conducted advanced studies and numerical modelling of coupled THMC processes under five tasks. This report presents the definition of the first phase, Task A-1, of the Task A of the project. The task is a working example of how interaction between THMC modelling and SA analysis could be performed. Starting with the technical definition of the Task A, the report presents the results of preliminary THM calculations with a purpose of an initial appreciation of the phenomena and material properties that must be better understood in subsequent phases. Many simplifications and assumptions were introduced and the results should be considered under these assumptions. Based on the evaluation of the multiple teams' results, a few points of concern were identified that may guide the successive phases of Task A studies: 1. The predicted maximum total stress in the MX-80 bentonite could slightly exceed the 15 MPa design pressure for the
Analysis on dam seepage and dam slope stability calculation in Renzhuang Reservoir%任庄水库大坝渗流及坝坡稳定计算分析
Institute of Scientific and Technical Information of China (English)
高超
2016-01-01
任庄水库防洪任务艰巨，大坝的安全至关重要。现状土坝坝体密实度不高且不均匀，内部存在多处软弱带，其坝坡稳定计算较为复杂。本文主要介绍了该土坝的渗流及坝坡稳定计算情况，并对计算参数选取及计算结果进行了合理性分析，最后判定该坝体不安全，水库属病险库，应尽快进行除险加固。%Renzhuang Reservoir has hard flood control task.Whether the dam is safe or not is very important.Current earth dam degree of density is low and uneven.There are many weak belts in the dam.The dam stability calculation is more complicated.In the paper,dam seepage and dam slope stability calculation condition are mainly introduced.The rationality of calculation parameter selection and calculation results is analyzed.Finally,it is determined that the dam body is not safe,the reservoir is risky.Risks should be removed for reinforcement as soon as possible.
Energy Technology Data Exchange (ETDEWEB)
1994-03-01
This proposed remedial action plan incorporates the results of detailed investigation of geologic, geomorphic, and seismic conditions at the proposed disposal site. The proposed remedial action will consist of relocating the uranium mill tailings, contaminated vicinity property materials, demolition debris, and windblown/waterborne materials to a permanent repository at the proposed Burro Canyon disposal cell. The proposed disposal site will be geomorphically stable. Seismic design parameters were developed for the geotechnical analyses of the proposed cell. Cell stability was analyzed to ensure long-term performance of the disposal cell in meeting design standards, including slope stability, settlement, and liquefaction potential. The proposed cell cover and erosion protection features were also analyzed and designed to protect the RRM (residual radioactive materials) against surface water and wind erosion. The location of the proposed cell precludes the need for permanent drainage or interceptor ditches. Rock to be used on the cell top-, side-, and toeslopes was sized to withstand probable maximum precipitation events.
Energy Technology Data Exchange (ETDEWEB)
NONE
1995-09-01
This volume contains calculations for: Slick Rock processing sites background ground water quality; Slick Rock processing sites lysimeter water quality; Slick Rock processing sites on-site and downgradient ground water quality; Slick Rock disposal site background water quality; Burro Canyon disposal site, Slick Rock, Colorado, average hydraulic gradients and average liner ground water velocities in the upper, middle, and lower sandstone units of the Burro Canyon formation; Slick Rock--Burro Canyon disposal site, Burro Canyon pumping and slug tests--analyses; water balance and surface contours--Burro Canyon disposal cell; and analytical calculation of drawdown in a hypothetical well completed in the upper sandstone unit of the Burro Canyon formation.
Institute of Scientific and Technical Information of China (English)
陈文; 殷志文
2003-01-01
The incentive effects and dynamic aspects of the inventory system were discussed in this paper. The wage policy was re-garded as a factor to influence workers' thinking of their action. A multiple objective problem was constructed for the owners and theworkers. At the same time, the planning stability is considered in the presented model. Since the process speed is decided by the dy-namic demand of production or the interior system itself, two situations were discussed in this paper.
Preliminary Study on Preparation and Stability of Lansoprazole Tablets%兰索拉唑肠溶片的制备及稳定性的分析
Institute of Scientific and Technical Information of China (English)
李辉
2015-01-01
Objective To investigate the preparation and stability of Lansoprazole Tablets.Methods Using prescription,chip isolation layer coating,casing coating preparation method of drug,in different conditions on the stability of Lansoprazole Tablets comparison.Results The system Lansoprazole Tablets prepared has good stability. Conclusion The prescription process improved the operation control more convenient,beneficial to the drug preparation.%目的：探讨兰索拉唑肠溶片的制备及其稳定性。方法采用片芯处方、隔离层包衣、肠衣层包衣制备方法制备药物后，在不同条件下对兰索拉唑肠溶片的稳定性进行比较。结果所制备的兰索拉唑肠溶片具有良好的稳定性。结论处方工艺改进后操作控制更加便捷，利于药品制备。
Directory of Open Access Journals (Sweden)
Antonio A. Martínez García
2015-04-01
Full Text Available La regulación de la tensión es el modo más elemental de control de los Sistemas Eléctricos de Potencia que mejora la estabilidad y la estabilidad transitoria. La introducción de reguladores de tensión muy rápidos facilita la capacidad del sistema de generar acciones que conserven su estabilidad (incremento del torque sincronizante. No obstante, estos dispositivos disminuyen el amortiguamiento del sistema. La forma más económica de mejorar el amortiguamiento de las oscilaciones mecánicas de las unidades generadoras se logra con la adición de un control suplementario agregado en el sistema de excitación, que se conoce como estabilizador de potencia (PSS, por sus siglas en inglés Power System Stabilizer. En el presente trabajo se utilizan las posibilidades del paquete PSAT para seleccionar la mejor ubicación y ajustar PSS en un sistema longitudinal sencillo de dos áreas, similar al caso del Sistema Eléctrico de la República de Cuba. Normally, voltage regulation is the primary mode of control, which improves voltage and transient stability. The introduction of generator´s fast voltage regulators improves Electrical Power Systems ability to generate synchronizing torque to maintain stability. These control devices have a negative effect in damping system oscillations. Supplementary control in generator’s voltage regulators (PSS is the most economic solution to improve system damping. This supplementary control is obtained using power system dampers. PSAT abilities are used in order to obtain setting of this supplementary control in a simple longitudinal two areas system, similar to Cuban Electric Power System.
Bahgat, Khaled; EL-Emary, Talaat
2013-02-01
FT Raman and IR spectra of the crystallized biologically active molecule, 5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (5-APHC, C11H11N3O) have been recorded and analyzed. The equilibrium geometry, bonding features and harmonic vibrational frequencies of 5-APHC have been investigated with the help of B3LYP density functional theory (DFT) method with 6-31G(d) and 6-311+G(d,p) as basis set. The calculated molecular geometry has been compared with the experimental data. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis (NCA) following the scaled quantum mechanical force field (SQM) technique. The optimized geometry shows the co-planarity of the aldehyde group with pyrazole ring. Potential energy surface (PES) scan studies has also been carried out by ab initio calculations with B3LYP/6-311+G(d,p) basis set. The red shifting of NH2 stretching wavenumber indicates the formation of N-H⋯O hydrogen bonding. 1H and 13C NMR spectra were recorded and 1H and 13C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-Vis spectrum of the compound was recorded in the region 200-400 nm and the electronic properties HOMO and LUMO energies were calculated by time-dependent TD-DFT approach. Mulliken charges of the 5-APHC molecule was also calculated and interpreted.
A Preliminary Study on Hu Jintao＇s Though of Maintaining Social Stability%胡锦涛维护社会稳定思想初探
Institute of Scientific and Technical Information of China (English)
赵雪峰; 田志平
2011-01-01
以胡锦涛为总书记的党中央高度重视维护社会稳定工作，维护社会稳定是一项系统工程，不但要实现经济、政治、文化、社会、生态及党建方面在自身发展过程中的有序性，而且还必须实现这些领域相互之间的协调发展与有序运行。任何一个领域的问题都会引发社会不稳定。维护社会稳定需要具有整体性和系统性思维，要注重各个领域的协调关系，采取综合措施，促进整个社会稳定。%The CPC＇s central committee led by Hujintao pays great attention to social tability.Maintaining social stability is a systematic project, which not only requires the orderly self-development of economy, politics, culture, society, ecology and party-building, but also requires the mutually coordinated development and the orderly operation of all the above. Problems in any of these fields will lead to social instability. Therefore, maintaining social stability needs the thinking mode of integrity and systematization, requires efforts and measures to coordinate the relationship among various fields and to promote social stability.
Institute of Scientific and Technical Information of China (English)
付书红; 董建新; 张麦仓; 谢锡善
2009-01-01
The effect of the alloying elements C, Al, Ti, Nb and W in 718 type alloys on equilibrium phases precipitation behavior was investigated employing the Thermo-Calc software and nickel-base superalloy database. Chemical composition of the equilibrium phases was also calculated. The calcula-tion results provide the theoretical bases for developing 718 type alloys with high structure stability.%利用Thermo-Calc热力学计算软件和与之相应的镍基高温合会数据库,计算了碳、铝、钛、铌和钨成分改变时对718合金中平衡相的析出规律影响,并预测了平衡相的化学成分,以期为发展高稳定性718合金提供理论依据.
Energy Technology Data Exchange (ETDEWEB)
Ding, Ying-chun, E-mail: dyccqzx@cuit.edu.cn; Chen, Min; Wu, Wenjuan
2014-09-15
Some fundamental properties of Si{sub 2}N{sub 2}O polymorphs are calculated using first principles calculations based on density functional theory. The results indicate that orthorhombic-Si{sub 2}N{sub 2}O is the most stable phase at ambient conditions; it transforms into tetragonal-Si{sub 2}N{sub 2}O at a relatively low pressure (10 GPa). PBEsol predicts lattice constants and mechanical properties better than PBE, but PBE gives better phase transition parameters. The mechanical properties, such as bulk modulus, Young's modulus and shear modulus, are evaluated by the Voigt–Reuss–Hill approach. The tetragonal-Si{sub 2}N{sub 2}O exhibits larger mechanical moduli than other phases. The obtained Vickers hardness of Si{sub 2}N{sub 2}O structures shows that the hardness of tetragonal-Si{sub 2}N{sub 2}O is slightly higher than those of monoclinic and orthorhombic phases. The minimum thermal conductivities of Si{sub 2}N{sub 2}O polymorphs in crystalline and amorphous states are estimated, and we conclude that the thermal conductivities of amorphous Si{sub 2}N{sub 2}O phases are comparable to typical thermal barrier coatings.
El-Nahas, Ahmed M.; El-Demerdash, Safinaz H.; El-Shereefy, El-Sayed E.
2007-06-01
The structure and stability of Mg2+XH3OH complexes in gas phase (X = C, Si and Ge) have been studied using the B3LYP/6-31 + G(d) and CBS-QB3 levels of theory. Several dissociation pathways for Mg2+XH3OH complexes have been investigated. The complexes are thermodynamically stable with respect to the loss of H+, OH+, XH3, XH4, and XH4+ but thermodynamically unstable toward the loss of XH3+, XH3OH+, and XH3O+ ions. The presence of sizable kinetic energy barriers (25-81 kcal/mol) for unimolecular dissociation hinders the exothermic processes. This indicates that Mg2+XH3OH complexes can form metastable species and is likely observed under appropriate experimental conditions. On the other hand, endothermic channels are unlikely occurred under mild experimental conditions. Binding energies in the investigated complexes parallel charge transfer from ligands to the Mg2+ ion. Comparison between B3LYP and CBS-QB3 results is also presented.
Discussion on Calculation of Structure Stability of Super Large Cooling Tower%超大型冷却塔结构稳定性计算的探讨
Institute of Scientific and Technical Information of China (English)
董胜宪; 戴永志
2014-01-01
Hyperbolic natural draft cooling tower is an important project in construction of electricity, with power construction in China's booming, stand-alone power plants installed capacity increased, cooling tower of power plant have gone from cooling tower of large and medium to very large cooling towers. Very large cooling tower structure stability already mentioned work on our agenda, should be a matter of attention.%双曲线自然通风冷却塔是电力建设中的一项重要工程，随着我国电力建设事业的蓬勃发展，发电厂单机装机容量的增大，电厂内的冷却塔已从过去的大中型冷却塔转为超大型冷却塔。超大型冷却塔结构稳定性工作已提到我们的议事日程上，应该引起各方面的重视。
Institute of Scientific and Technical Information of China (English)
王渊旭; 王春雷
2003-01-01
Electronic structure of ferroelectric PbTiO3 and BaTiO3 is calculated by the full potential linearized augmented plane wave method. The total energy as a function of the displacement of Ti-cation is obtained for PbTiO3 and BaTiO3 at different cell volumes. At experimental cell volume, Ti-displacement lowers the total energy and the ferroelectricity is stable. When the cell volume is reduced to 90%, total energy is increased with Ti-displacement and ferroelectricity will disappear. The cell volume effect is also confirmed by comparison of the density of states of Ti and O at different cell volumes.
Boek, E. S.; Briels, W. J.
1993-01-01
Molecular dynamics simulations have been performed in order to study the structure of two molal urea solutions in D2O. Several initial dimer configurations were considered for an adequate sampling of phase space. Eventually all of them appeared to be unstable, when system size and periodic boundary conditions are chosen properly, even after a very careful equilibration. The total nitrogen scattering function GN(r), calculated from these simulations, is in good agreement with neutron scattering experiments when both intra- and intermolecular correlations are considered and the experimental truncation ripples are introduced by a Fourier transform of GN(r) back and forth. The simple pair potential model that we used gives results in good agreement with experiments and with a much more involved potential model, recently described in the literature [J. Chem. Phys. 95, 8419 (1991)].
Energy Technology Data Exchange (ETDEWEB)
1994-03-01
This report contains calculations for: hydraulic gradients for Alluvial Aquifer and Salt Wash Aquifer; slug test analysis to determine hydraulic conductivity for Alluvial Aquifer and Salt Wash Aquifer; average linear groundwater velocity for Alluvial Aquifer and Salt Wash Aquifer; statistical analysis of the extent of existing groundwater contamination; hydraulic gradients for Dakota/Burro Canyon Formation and Salt Wash Aquifer; slug test analysis to determine hydraulic conductivity for Dakota/Burro Canyon Formation and Perched Salt Wash Aquifer; determination of hydraulic conductivity of the Dakota/Burro Canyon Formation from Packer Tests; average linear groundwater velocity for Dakota/Burro Canyon and Salt Wash Aquifer; chemical and mineralogical characterization of core samples from the Dry Flats Disposal Site; and demonstration of low groundwater yield from Uppermost Aquifer.
Mohamed, Tarek A.; Hassan, Ahmed E.; Shaaban, Ibrahim A.; Abuelela, Ahmed M.; Zoghaib, Wajdi M.
2017-02-01
The infrared (4000-225 cm-1) and Raman (3500-60 cm-1) spectra of 2-Amino-5-(ethylthio)-1,3,4-thiadiazole (AEST; C4H7N3S2) have been recorded in the solid phase. In addition, the 1H and 13C NMR spectra of AEST were obtained in DMSO-d6. We have focused on five staggered conformers (1-5) resulting from rotations of the methyl, ethyl and thioethyl groups around Csbnd C and Csbnd S bonds with the sbnd NH2 group having a non-planar (sp3) geometry. DFT-B3LYP/6-31G(d) calculations proved that only conformers 4 and 5 produce real vibrational frequencies and conformer 5 is the favored one with an energy difference of 124 cm-1 (0.35 kcal/mol) in agreement with the observed ethyl torsion at 92 cm-1. The calculated frequencies, infrared intensities, Raman activities and potential energy distributions were compiled with spectral observations in favor of conformer 5. All vibrational modes were assigned to their corresponding vibrational bands. Applying the observed methyl torsions, the kinetic parameter F number was found to be 5.3263 cm-1 and an average V3 value of 1565 ± 14 cm-1 (4.48 ± 0.04 kcal/mol) was obtained. These values are close to the methyl barriers predicted from B3LYP/6-31G(d) potential surface scans. Moreover, the 1H and 13C NMR chemical shifts were also estimated for conformers 4 and 5 with DMSO as solvent implementing GIAO/PCM approximation utilizing B3LYP method at 6-311++G (d,p) basis set. The results are reported and discussed herein and compared with 2-Amino-5-ethyl-1,3,4-thiadiazole (AET) whenever appropriate.
Mohamed, Tarek A.; Hassan, Ali M.; Soliman, Usama A.; Zoghaib, Wajdi M.; Husband, John; Abdelall, Mahmoud M.
2011-01-01
The Raman and infrared spectra of solid 5-amino-4-cyano-3-(methylthio)-1H-pyrazole-1-carbothioamide (AMPC, C 6H 7N 5S 2) were measured in the spectral range of 3700-100 cm -1 and 4000-200 cm -1 with a resolution of 4 and 0.5 cm -1, respectively. Aided by normal coordinate analysis and potential energy distributions, a confident vibrational assignment of all fundamentals is proposed herein. As a result of internal rotation around C sbnd N and/or C sbnd S bonds, 32 rotational isomers are suggested for AMPC (C s symmetry). RHF and DFT/B3LYP quantum mechanical calculations including polarization and diffusion functions up to 6-311++G(d,p) basis sets, predict that after complete relaxation of the 32 possible isomers, four structures lie within 1500 cm -1 of the lowest energy conformer. However, vibrational analysis reveals the lowest energy conformer to be the only structure giving all real frequencies. Thus, the only stable conformer of AMPC is shown to have a fully planar skeleton with the NH 2 groups trans to one another. The recorded IR and Raman spectral measurements favor the calculated structural parameters which are further supported by spectral simulation. Additional support is given by 1H and 13C NMR spectra recorded with the sample dissolved in DMSO-d 6 and by predicted chemical shifts at the B3LYP/6-311+G(2d,p) level obtained using the Gauge-Invariant Atomic Orbitals (GIAO) method with and without inclusion of solvent using the Polarizable Continuum Model (PCM). Finally, CH 3, CH 3S, and NH 2 torsional barriers to internal rotation have been investigated using the optimized structural parameters from the B3LYP method with the 6-31G(d) basis set. The results are discussed herein and compared with similar molecules whenever appropriate.
Directory of Open Access Journals (Sweden)
Mileo J. C.
2006-11-01
Full Text Available L'évaluation comparative du comportement en solution des polylmides 6F fait ressortir que ces nouveaux polymères, doués d'une stabilité thermique élevée par référence à l'analyse thermogravimétrique, ont, par contraste, une résistance beaucoup plus limitée aux influences ioniques et que l'hydrolyse, qui entraîne une réduction substantielle de leur masse moléculaire, est, dans leur cas, un processus de dégradation d'importance majeure. Despite its importance, particularly during the phase-inversion creation of asymmetrical gaseous-permeation membranes, the behavior in solution of polyImides derived from 4,4'-hexafluoroisopropylidenediphthalic anhydride has not, to our knowledge, been the subject of any published report. The present project was thus undertaken to assess the hydrolysis resistance of such polymers. This article describes and interprets some results highlighting the influence of structural factors. The products, which differ in the nature of both the initial diamine and dianhydride, were prepared by thermal polyheterocyclization in a single stage in different solvents at 200°C, and their stability was determined by the variations in their intrinsic viscosity after aging in a sealed tube at 90°C. Hydrolysis does not affect all 6F polyImides in a uniform way but seems to be governed by differences in the chemical affinity and in the morphology of the chains. Polymers having an increasing number of alkyl groups on the aminated remainder show a less and less marked susceptibility. A more specific fragility, however, affects polyImides having a carboxylic acid group. Other polar substituents have a stabilizing influence. A comparison with other polyImides is undeniably unfavorable to 6F derivatives. Degradation is very marked in dipolar aprotic solvents, whereas it appears quite limited in m-cresol. It apparantly cannot be blamed on the possible presence of uncyclized acid-amide units. The influence of the amount of
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
@@High-temperature proton conductors (HTPC) have been extensively studied since I wahara et al?1? reported protonic conduction in SrCeO3-based oxid es. Later, the BaCeO3-based oxides, such as BaCe0.90Yb0.10O3- d (BCYb10) and BaCe0.90Y0.10-O3-d (BCY10), we re fou nd to show higher conductivity?2?. High electronic and protonic conducti vity makes BCY10 a potential membrane for hydrogen separation?3?. Thin f ilms with high density, most probably made by sequential coating on porous subst rates, are imperative in order to promote hydrogen permeation flux?4?. T his makes it more necessary for such membranes to be kept stable and unspoilt un der asymmetric hydrogen-permeation atmosphere at elevated temperatures. In this paper, the stability and hydrogen permeation ability of BCY10 membrane are stud ied by XRD, SEM, energy dispersive X-ray (EDX) analysis, H2-TPR process and hydrogen permeation experiment. The results showed that hydrogen cannot permeate through the BCY10 membrane without surface modification, and its surface cannot keep a uniform perovskite structure in the asymmetric atmosphere.
Preliminary designs: passive solar manufactured housing. Technical status report
Energy Technology Data Exchange (ETDEWEB)
1980-05-12
The criteria established to guide the development of the preliminary designs are listed. Three preliminary designs incorporating direct gain and/or sunspace are presented. Costs, drawings, and supporting calculations are included. (MHR)
National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...
Dos Santos, Renato B; Rivelino, R; Mota, F de Brito; Kakanakova-Georgieva, A; Gueorguiev, G K
2015-02-21
We employ ab initio calculations to predict the equilibrium structure, stability, reactivity, and Raman scattering properties of sixteen different (H3C)nX(SiH3)3-n compounds (X = B, Al, Ga, In) with n = 0-3. Among this methylsilylmetal family, only the (H3C)3X members, i.e., trimethylboron (TMB), trimethylaluminum (TMA), trimethylgallium (TMG), and trimethylindium (TMI), are currently well-studied. The remaining twelve compounds proposed here open up a two-dimensional array of new possibilities for precursors in various deposition processes, and evoke potential applications in the chemical synthesis of other compounds. We infer that within the (H3C)nX(SiH3)3-n family, the compounds with fewer silyl groups (and consequently with more methyl groups) are less reactive and more stable. This trend is verified from the calculated cohesive energy, Gibbs free energy of formation, bond strength, and global chemical indices. Furthermore, we propose sequential reaction routes for the synthesis of (H3C)nX(SiH3)3-n by substitution of methyl by silyl groups, where the silicon source is the silane gas. The corresponding reaction barriers for these chemical transformations lie in the usual energy range typical for MOCVD processes. We also report the Raman spectra and light scattering properties of the newly proposed (H3C)nX(SiH3)3-n compounds, in comparison with available data of known members of this family. Thus, our computational experiment provides useful information for a systematic understanding of the stability/reactivity and for the identification of these compounds.
Institute of Scientific and Technical Information of China (English)
张学银; 张寒
2011-01-01
对曲柄压力机摩擦离合器结构分析,提出了离合器顶杆的稳定性校核的必要性,给出了离合器顶杆稳定性的计算方法和计算实例.提出应尽量将离合器顶杆设计成中粗杆,其临界力可通过提高材料的屈服强度极限来增大.%The structure of friction clutch on crank press has been analyzed. The check necessity of the stability of the ejector rod on clutch has been put forward. The calculation method and instance of the stability for ejector rod have been given. It is pointed out that the clutch rod should be coarse rod of which the critical force can be increased as improving the yield strength limit of the material.
Voltage Stability Evaluation Incorporating Wind Power Intermittency
Institute of Scientific and Technical Information of China (English)
Libao SHI; Yang ZHAO; Yixin NI; Liangzhong YAO; Masoud BAZARGAN
2013-01-01
A simulation framework is proposed to evaluate the voltage stability of power systems incorporating wind power intermittency.Firstly,the power output modelings of three types of wind turbines are discussed.Secondly,the Jensen model is employed to simulate the wind farm with the wake effect.The Monte Carlo based technique is used to conduct the voltage stability evaluation incorporating the randomness of the wind speed based on the Weibull probability distribution.Thirdly,the relative sensitivity index (RSI) is calculated to identify weak buses during analysis.Finally,case studies with different simulation scenarios are carried out.Some statistical results involving weakness probability,expected value and variance of RSI as well as preliminary conclusions are drawn based on numerical simulation results.
Directory of Open Access Journals (Sweden)
Zydroń Tymoteusz
2016-03-01
Full Text Available Analysis of rainfall-induced shallow landslides in Jamne and Jaszcze stream valleys (Polish Carpathians - preliminary results. Preliminary shallow landslide susceptibility mapping of the Jamne and Jaszcze stream valleys, located in the Polish Flysch Carpathians, is presented in the paper. For the purpose of mapping, there were used SINMAP and Iverson’s models integrating infiltration and slope stability calculations. The calibration of the used models parameters, obtained from limited field and laboratory tests, was performed using data from 8-9 July 1997, when as a consequence of a very intense rainfall, 94 shallow landslides were observed on meadows and arable lands. A comparison of the slope stability calculation results and the localisation of the noticed shallow landslides showed satisfactory agreement between localisation of the observed and computed unstable areas. However, it was concluded that better simulation results were obtained using Iverson’s model.
Xavier, R John; Dinesh, P
2013-09-01
The experimental and theoretical study on the structure and vibrations of 1,3,4-thiadiazolidine-2,5-dithione (TDZD) is presented. The FT-IR spectra (4000-400 cm(-1)) and the FT-Raman spectra (4000-50 cm(-1)) of the title molecule have been recorded. The energies of TDZD were obtained for all the possible four conformers from HF and DFT with 6-311G(d,p) and 6-311++G(d,p) basis set calculations. From the computational results, conformer C4 is identified as the most stable conformers of TDZD. The spectroscopic and theoretical results are compared with the corresponding properties for TDZD of C4 conformer. The temperature dependence of thermodynamic properties has been analyzed. Molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO). The calculated HOMO and LUMO energies show that charge transfer occurs in the molecules. Information about the size, shape, charge density distribution, and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential (ESP). The dipole moment (λ) and polarizability (α), anisotropy polarizability (Δα) and first hyperpolarizability (βtotal) of the molecule have been reported.
Hubbard, W B
2016-01-01
In anticipation of new observational results for Jupiter's axial moment of inertia and gravitational zonal harmonic coefficients from the forthcoming Juno orbiter, we present a number of preliminary Jupiter interior models. We combine results from ab initio computer simulations of hydrogen-helium mixtures, including immiscibility calculations, with a new nonperturbative calculation of Jupiter's zonal harmonic coefficients, to derive a self-consistent model for the planet's external gravity and moment of inertia. We assume helium rain modified the interior temperature and composition profiles. Our calculation predicts zonal harmonic values to which measurements can be compared. Although some models fit the observed (pre-Juno) second- and fourth-order zonal harmonics to within their error bars, our preferred reference model predicts a fourth-order zonal harmonic whose absolute value lies above the pre-Juno error bars. This model has a dense core of about 12 Earth masses, and a hydrogen-helium-rich envelope with...
Hubbard, W. B.; Militzer, B.
2016-03-01
In anticipation of new observational results for Jupiter's axial moment of inertia and gravitational zonal harmonic coefficients from the forthcoming Juno orbiter, we present a number of preliminary Jupiter interior models. We combine results from ab initio computer simulations of hydrogen-helium mixtures, including immiscibility calculations, with a new nonperturbative calculation of Jupiter's zonal harmonic coefficients, to derive a self-consistent model for the planet's external gravity and moment of inertia. We assume helium rain modified the interior temperature and composition profiles. Our calculation predicts zonal harmonic values to which measurements can be compared. Although some models fit the observed (pre-Juno) second- and fourth-order zonal harmonics to within their error bars, our preferred reference model predicts a fourth-order zonal harmonic whose absolute value lies above the pre-Juno error bars. This model has a dense core of about 12 Earth masses and a hydrogen-helium-rich envelope with approximately three times solar metallicity.
Institute of Scientific and Technical Information of China (English)
付文光; 柳建国; 杨志银
2014-01-01
抗浮锚杆及锚杆抗浮体系的抗浮稳定性验算公式宜采用综合安全系数法、分项系数表达方式。群锚稳定性验算可简化为单锚稳定性验算，验算模型可按上半部分长方体、下半部分圆锥体的假定破裂面形状，锥尖深度为锚固段计算长度与自由段长度之和。群锚整体抗浮承载力为单锚抗浮承载力之和，单锚抗浮力设计值可取假定破裂体内岩土体重量与破裂面黏聚力提供的摩阻力分别除以分项安全系数后之和，分项安全系数取值水准为1.5及3.0。锚杆抗浮体系稳定性验算公式中，抗力设计值可取建筑物自重标准值及其上作用的永久荷载标准值之和除以1.05的安全系数、抗拔桩的抗浮承载力设计值、抗浮锚杆的抗浮承载力设计值三者之和，而浮力设计值则取建构筑物基底静水压力标准值。%The comprehensive safety factor methods and partial safety factor expressions should be adopted for the formulae to calculate the stability of anti-floating anchor and anchor anti-floating system. The model for the stability of anchor groups can be simplified as that of single anchor, the fracture surface is assumed that the upper part is cuboid and the lower part is cone, and the depth of conical tip is the sum of the fixed anchor length for calculation and free anchor length. The whole anti-floating bearing capacity of the anchor group is the sum of that of the single anchor. The anti-floating bearing capacity of the single anchor is the sum of the weight of soils inside the fracture body and the frictional resistance supplied by cohesive force on the assumed fracture surface divided by the partial safety factor, which is 1.5 and 3.0, respectively. In the formula for calculating the stability of anchor anti-floating system, the design resistance value is the sum of the design of values anti-floating bearing capacity of uplift piles and anti-floating anchor and the standard
Transfer Area Mechanical Handling Calculation
Energy Technology Data Exchange (ETDEWEB)
B. Dianda
2004-06-23
This calculation is intended to support the License Application (LA) submittal of December 2004, in accordance with the directive given by DOE correspondence received on the 27th of January 2004 entitled: ''Authorization for Bechtel SAX Company L.L. C. to Include a Bare Fuel Handling Facility and Increased Aging Capacity in the License Application, Contract Number DE-AC28-01R W12101'' (Arthur, W.J., I11 2004). This correspondence was appended by further Correspondence received on the 19th of February 2004 entitled: ''Technical Direction to Bechtel SAIC Company L.L. C. for Surface Facility Improvements, Contract Number DE-AC28-OIRW12101; TDL No. 04-024'' (BSC 2004a). These documents give the authorization for a Fuel Handling Facility to be included in the baseline. The purpose of this calculation is to establish preliminary bounding equipment envelopes and weights for the Fuel Handling Facility (FHF) transfer areas equipment. This calculation provides preliminary information only to support development of facility layouts and preliminary load calculations. The limitations of this preliminary calculation lie within the assumptions of section 5 , as this calculation is part of an evolutionary design process. It is intended that this calculation is superseded as the design advances to reflect information necessary to support License Application. The design choices outlined within this calculation represent a demonstration of feasibility and may or may not be included in the completed design. This calculation provides preliminary weight, dimensional envelope, and equipment position in building for the purposes of defining interface variables. This calculation identifies and sizes major equipment and assemblies that dictate overall equipment dimensions and facility interfaces. Sizing of components is based on the selection of commercially available products, where applicable. This is not a specific recommendation for the future use
Directory of Open Access Journals (Sweden)
Vanessa Catalá Casteli
2008-07-01
Full Text Available O objetivo deste trabalho foi desenvolver emulsões O/A contendo Cetoconazol 2,0% e avaliar sua estabilidade preliminar por meio da análise de suas características físicoquímicas, tais como homogeneidade, formação de agregados, floculação, cremeação ecoalescência. As emulsões foram formuladas utilizando diferentes bases autoemulsionantes, compostas por álcool cetoestearílico, álcool etoxilado, álcool graxos superiores, ácido esteárico, lanolina e outros. As emulsões foram submetidas aos testes de centrifugação,estresse térmico e ciclo gela-degela, e suas características organolépticas e físico-químicas foram avaliadas no início e no final de cada ensaio. Todas as amostras mantiveram sua homogeneidade após o teste de centrifugação, mas somente os sistemas preparados comceras autoemulsionáveis constituídas por álcool graxos superiores (Polawax NF® e Copolímero de Amônio Acriloil dimetiltaurato VP, Trilauril 4 fosfato, Sesquisosterato de metil glicose, Óleo de flores de verão e Tetradibutil pentaeritritil hidroxihidrocinamato deGlicerina (Hostacerin NCB® mantiveram sua estabilidade após testes de estresse térmico e ciclo gela-degela.The objective of this work was the development of O/W emulsions containing Ketoconazole 2.0% and to evaluate their preliminary stability by analyzing physical-chemical characteristics such as homogeneity, aggregation formation, flocculation, creaming and coalescence. The emulsions were formulated using different self-emulsifying bases, composed of cetearyl alcohol, ethoxylalcohol, higher fatty alcohol, stearic acid, lanolin and others. The O/W emulsions were evaluated by centrifugation test, thermal stress test, and freezing/defrosting cycles, and its organoleptic and physical-chemistry characteristics were analyzed before and after eachassay. All samples maintained their homogeneity after the centrifugation test, but only the systems prepared with self emulsifying composed of
Institute of Scientific and Technical Information of China (English)
肖世国; 何洪
2015-01-01
Double-row stabilizing piles are employed commonly to stabilize large-scale landslides. The key in the design and calculation of practical engineering is to simply and reasonably determine thrust on the front and rear piles. The rock or soil mass in front of loading section of a pile is considered as the Winkler foundation. Using the elastic foundation beam model and fully considering the deformation continuity between loading segment and anchorage segment of the pile, slope resistance on the loading segment of the rear pile can be determined by iterative algorithm. Then, the thrust on the loading segment of the front pile can be figured out using transfer coefficient method for potential slide mass between the front and rear piles. The relative theoretical formulas are given. To verify the rationality of the proposed method, a laboratory model test is conducted. The results are acceptable. For a large-scale landslide example, design slide thrust on a rear or front pile is figured out in detail respectively. The proposed method can provide a reference for the simplified design of practical projects.%双排抗滑桩是加固大型滑坡的常用工程措施之一，在实际工程设计计算中的关键环节在于简单且合理地确定作用于前后排桩上的滑坡推力。将抗滑桩受荷段前侧坡体视为水平向的温克勒（Winkler）地基，基于弹性地基梁模型，并充分考虑桩体受荷段与锚固段的变形连续性，通过迭代算法确定出后排抗滑桩受荷段前侧坡体抗力，进而可对排间坡体采用传递系数法计算出前排桩桩后滑坡推力，给出了相关的理论计算公式。通过室内模型试验验证了所提方法的合理性，并针对一大型基覆式滑坡实例，具体计算出了前后排桩上的设计滑坡推力荷载。所提计算方法可为实际工程的简化设计提供参考。
Ornithopter flight stabilization
Dietl, John M.; Garcia, Ephrahim
2007-04-01
The quasi-steady aerodynamics model and the vehicle dynamics model of ornithopter flight are explained, and numerical methods are described to capture limit cycle behavior in ornithopter flight. The Floquet method is used to determine stability in forward flight, and a linear discrete-time state-space model is developed. This is used to calculate stabilizing and disturbance-rejecting controllers.
FEATURES OF CALCULATION OF THE NONCONTACT ELECTRIC POWER GENERATORS
Directory of Open Access Journals (Sweden)
Kvitko A. V.
2015-10-01
Full Text Available The article shows that to improve the performance of autonomous systems we need new methods and principles of their design, associated with both the use of renewable sources and the application of new technical solutions of electromechanical generators and static stabilizers and inverters electric power settings. We have disclosed modern requirements for generators of electric power, as well as features of calculating the parameters of contactless electrical power generators: asynchronous generators capacitive excitation and asynchronous generators with permanent magnets. The article presents some analytical expressions for calculating the electrical losses and the efficiency of the generators, specific weight and power. It is shown, that expedient to designing contactless electrical power generators to carry out as part of the autonomous electricity supply systems, as it is sometimes advantageous to understate the main criteria of efficiency of generators, in order to improve, for example, weight and overall dimensions of static converters. The conclusion is made that in order to improve the efficiency of designing contactless electrical power generators in the early stages of designing it is necessary to carry out a preliminary assessment of the main criteria of efficiency of contactless electrical machines. We have also discussed analytical expressions, which might be used for preliminary evaluation of application features for various types of contactless generators in the stand-alone electricity supply systems taking into account the conditions of use
Energy Technology Data Exchange (ETDEWEB)
Steven A. Attanasio; David S. Morton; Mark A. Ando
2001-10-22
The importance of knowing the electrochemical corrosion potential (ECP, also referred to as E{sub con}) of nickel-base alloys in hydrogenated water is related to the need to understand the effects of dissolved (i.e., aqueous) hydrogen concentration ([H{sub 2}]) on primary water stress corrosion cracking (PWSCC). Also, the use of a reference electrode (RE) can improve test quality by heightening the ability to detect instances of out-of-specification or unexpected chemistry. Three methods are used to measure and calculate the ECP of nickel-based alloys in hydrogenated water containing {approx} 1 to 150 scc/kg H{sub 2} (0.1 to 13.6 ppm H{sub 2}) at 260 to 360 C. The three methods are referred to as the specimen/component method, the platinum (Pt) method, and the yttria-stabilized zirconia/iron-iron oxide (YSZ/Fe-Fe{sub 3}O{sub 4}) RE method. The specimen/component method relies upon the assumption that the specimen or component behaves as a hydrogen electrode, and its E{sub corr} is calculated using the Nernst equation. The present work shows that this method is valid for aqueous H{sub 2} levels {ge} {approx} 5 to 10 scc/kg H{sub 2}. The Pt method uses a voltage measurement between the specimen or component and a Pt electrode, with the Pt assumed to behave as a hydrogen electrode; this method is valid as long as the aqueous H{sub 2}level is known. The YSZ/Fe-Fe{sub 3}O{sub 4}, which represents a relatively new approach for measuring E{sub corr} in this environment, can be used even if the aqueous H{sub 2} level is unknown. The electrochemical performance of the YSZ/Fe-Fe{sub 3}O{sub 4} probe supports its viability as a RE for use in high temperature hydrogenated water. Recent design modifications incorporating a teflon sealant have improved the durability of this RE (however, some of the REs do still fail prematurely due to water in-leakage). The Pt method is judged to represent the best overall approach, though there are cases where the other methods are superior
McCarty, George
1982-01-01
How THIS BOOK DIFFERS This book is about the calculus. What distinguishes it, however, from other books is that it uses the pocket calculator to illustrate the theory. A computation that requires hours of labor when done by hand with tables is quite inappropriate as an example or exercise in a beginning calculus course. But that same computation can become a delicate illustration of the theory when the student does it in seconds on his calculator. t Furthermore, the student's own personal involvement and easy accomplishment give hi~ reassurance and en couragement. The machine is like a microscope, and its magnification is a hundred millionfold. We shall be interested in limits, and no stage of numerical approximation proves anything about the limit. However, the derivative of fex) = 67.SgX, for instance, acquires real meaning when a student first appreciates its values as numbers, as limits of 10 100 1000 t A quick example is 1.1 , 1.01 , 1.001 , •••• Another example is t = 0.1, 0.01, in the functio...
PIC: Protein Interactions Calculator.
Tina, K G; Bhadra, R; Srinivasan, N
2007-07-01
Interactions within a protein structure and interactions between proteins in an assembly are essential considerations in understanding molecular basis of stability and functions of proteins and their complexes. There are several weak and strong interactions that render stability to a protein structure or an assembly. Protein Interactions Calculator (PIC) is a server which, given the coordinate set of 3D structure of a protein or an assembly, computes various interactions such as disulphide bonds, interactions between hydrophobic residues, ionic interactions, hydrogen bonds, aromatic-aromatic interactions, aromatic-sulphur interactions and cation-pi interactions within a protein or between proteins in a complex. Interactions are calculated on the basis of standard, published criteria. The identified interactions between residues can be visualized using a RasMol and Jmol interface. The advantage with PIC server is the easy availability of inter-residue interaction calculations in a single site. It also determines the accessible surface area and residue-depth, which is the distance of a residue from the surface of the protein. User can also recognize specific kind of interactions, such as apolar-apolar residue interactions or ionic interactions, that are formed between buried or exposed residues or near the surface or deep inside.
Energy Technology Data Exchange (ETDEWEB)
Hubbard, W. B. [Lunar and Planetary Laboratory, The University of Arizona, Tucson, AZ 85721 (United States); Militzer, B. [Department of Earth and Planetary Science, Department of Astronomy, University of California, Berkeley, CA 94720 (United States)
2016-03-20
In anticipation of new observational results for Jupiter's axial moment of inertia and gravitational zonal harmonic coefficients from the forthcoming Juno orbiter, we present a number of preliminary Jupiter interior models. We combine results from ab initio computer simulations of hydrogen–helium mixtures, including immiscibility calculations, with a new nonperturbative calculation of Jupiter's zonal harmonic coefficients, to derive a self-consistent model for the planet's external gravity and moment of inertia. We assume helium rain modified the interior temperature and composition profiles. Our calculation predicts zonal harmonic values to which measurements can be compared. Although some models fit the observed (pre-Juno) second- and fourth-order zonal harmonics to within their error bars, our preferred reference model predicts a fourth-order zonal harmonic whose absolute value lies above the pre-Juno error bars. This model has a dense core of about 12 Earth masses and a hydrogen–helium-rich envelope with approximately three times solar metallicity.
The Need of the Revision of Passenger Ships’ Stability Criterion on Account of Turning
Directory of Open Access Journals (Sweden)
Zbigniew Szozda
2014-09-01
Full Text Available The angle of heel on account of turning is one of the mandatory stability criteria for passenger ships. Formula used for calculations of this criterion contained in the International Code on Intact Stability [13] is criticized at present. Agendas of the Sub-committee on Ship Design and Construction (SDC for the first (2014 and the second (2015 sessions contain the item on revision of this criterion and corresponding regulation. The paper presents some shortcomings of the criterion. Turning tests of a freely maneuvering model of a passenger ship have been executed aiming at gathering data for the future discussion and its facilitation. The paper presents results of the tests together with preliminary conclusions that confirm the need of the revision of the regulation and put forward concerns on application of such values as initial metacentric height (GMo and righting lever curve (GZ(? calculated for a ship laying still for calculation of a ship’s heel caused by turn.
Institute of Scientific and Technical Information of China (English)
陈绍蕃; 申红侠
2011-01-01
The regulations regarding strut stability calculation in the current code for design of steel structures (GB50017-2003) are based on Q235 steel and a factor of yield strength ξ= (fy/234) is introduced to take care of high-strength struts. But,use of this factor has been in many instances overly simplified,so that the capacity of high-strength struts can not be fully developed. Comprehensive analysis has shown that,for members of medium and large slenderness, only part of the limiting width-thickness ratios need to be linked with the ξ factor. In this analysis two criteria have been adopted in combination and the influence of members' initial crookedness taken into account. The investigation of the shear force in the open-web compression members reveals that the factor ξ in Formula (5. 1. 6) of the current code could be deleted. Moreover, when single angle struts connected by one leg at the ends are treated as axially compressed members,their equivalent slenderness may be multiplied by the factor ξ only in part.%《钢结构设计规范》(GB 50017-2003)关于压杆稳定计算的规定一般以Q235钢为基础,并通过引入屈服强度因数ξ＝(√fy/235)使其适用于高强度钢压杆.但是,这一因数的运用在很多情况下过于简单化,致使高强度钢压杆承载潜力不能充分发挥.本文对轴压构件的板件进行的综合分析表明,中等和大长细比构件的板件宽厚比限值只有一部分需要和因数ξ挂钩.此项分析同时采取了两种准则,并考虑了构件初弯曲的影响.格构式轴压构件剪力分析表明,现行规范的公式(5.1.6)的因数ξ可以删去.此外,单边连接的单角钢压杆简化为轴压构件时,等效长细比只要部分乘以因数ξ即可.
Stability of melt crystal growth under microgravity conditions
Tatarchenko, V. A.
The conception of dynamic stability of melt crystal growth has been developed. The method based on the Lyapunov stability theory has been used to the study stability of crystallization by capillary shaping techniques including Czokhralsky, Stepanov, Kiropoulos, Verneuil and floating zone methods. Preliminary results of the stability analysis of crystallization by floating zone technique under microgravity conditions are presented here.
Institute of Scientific and Technical Information of China (English)
杨寿海; 陈义学; 王伟金; 靳忠敏; 陆道纲
2012-01-01
Based on the American H.B.Robinson-2 pressure vessel benchmark, the neutron spectrum in surveillance capsule and reaction rates for some species have been obtain by three-dimensional (3-D) discrete ordinates (Sn) method code (TORT). The results show that, the neutron spectrum in surveillance capsule makes good agreement with the benchmark, and the C/M of reaction rates for some species is 1.04±0.04 by TORT code. Then, the heat release rate distribution over reactor components has been calculated by TORT code and MCNP program for Ningde Nuclear Power Plant in Fujian China, and compared with each other. Finally, the application of TORT code in the calculation of the heating rate for PWR internals is presented and discussed.%以美国H.B.Robinson-2#机组反应堆压力容器(RPV)基准实验的参数为输入数据,采用三维离散纵标方法程序( TORT)计算压力辐照监督管处中子能谱及典型核素的活度值.计算得到的辐照监督管处中子能谱与基准实验结果趋势一致、吻合较好;典型核素活度的计算值与测量值之比(C/M)为1.04±0.04.用TORT对福建宁德核电站堆内构件释热率分布进行初步计算,并与蒙特卡罗方法(MCNP)的计算结果相比较,两种方法的结果表现出良好的一致性.最后对TORT程序应用于堆内释热率计算进行讨论.
Passive stabilization in a linear MHD stability code
Energy Technology Data Exchange (ETDEWEB)
Todd, A.M.M.
1980-03-01
Utilizing a Galerkin procedure to calculate the vacuum contribution to the ideal MHD Lagrangian, the implementation of realistic boundary conditions are described in a linear stability code. The procedure permits calculation of the effect of arbitrary conducting structure on ideal MHD instabilities, as opposed to the prior use of an encircling shell. The passive stabilization of conducting coils on the tokamak vertical instability is calculated within the PEST code and gives excellent agreement with 2-D time dependent simulations of PDX.
Preliminary Monthly Climatological Summaries
National Oceanic and Atmospheric Administration, Department of Commerce — Preliminary Local Climatological Data, recorded since 1970 on Weather Burean Form 1030 and then National Weather Service Form F-6. The preliminary climate data pages...
Thermodynamic Stability of Wormholes
Sajadi, S N
2016-01-01
In the context of GR, we study the thermodynamic stability of evolving Lorentzian wormholes at the apparent horizon. The average pressure of the anisotrropic components is considered as the pressure of the wormhole. According to the requirements of stable equilibrium in conventional thermodynamics, we calculate the heat capacity at constant pressure and Gibbs free energy and analyze the local and global thermodynamic stability of the wormhole.
Institute of Scientific and Technical Information of China (English)
郑瑞杰; 王德永
2011-01-01
determination coefficient reached a significant level（P〈0.0001）,the unary quadratic regression equation of the product of the leaf length and width and leaf area had the best regression effect with the determination coefficient of 0.987 9 and the correction determination coefficient of 0.987 7;the binary linear regression relationship of the leaf biomass of individual plants with crown width and crown height reached a significant level（P〈0.0001）,the determination coefficient was 0.987 9 and the correction determination coefficient was 0.987 7.In production,the leaf biomass and leaf area indexes of individual plants could be calculated through the measurement on crown width and crown height.The method is simple to operate and has higher application value.
Institute of Scientific and Technical Information of China (English)
唐斌; 康盛伟; 王先良; 黎杰; 王培
2016-01-01
Objective To investigate the feasibility of the virtual source model in Monte Carlo dose calculation for clinical radiotherapy.Methods The Monte Carlo simulation was used to obtain the phase space files which recorded the physical properties of the particles emitted by a medical linear accelerator, and the information on the type, energy spectrum, and distribution of particles were extracted from these files and analyzed to establish the semi-empirical model of virtual two-photon source.The GMC dose calculation engine was used to obtain the 3 cm×3 cm, 5 cm×5 cm, 10 cm×10 cm, 20 cm×20 cm, and 30 cm×30 cm fields of radiotherapy and the results of Monte Carlo simulation of dose distribution in three-dimensional water phantom in 2 intensity-modulated radiotherapy ( IMRT) plans.These results were compared with the results of water phantom measurement or the results of Elekta Monaco planning system to verify the accuracy of Monte Carlo dose calculation based on a virtual source.Results As for the percentage depth-dose distribution curves of the central axis of the water phantom and the off-axis dose curves at different depths in the five fields for radiotherapy, the difference between the results of Monte Carlo simulation and the results of measurement was within 1%.As for the two IMRT plans, the three-dimensional passing rates of Monaco calculation results and Monte Carlo simulation results were 98.9%and 99.4%, respectively, for 3%/3 mm, and 95.1%and 95.4%, respectively, for 2%/2 mm.Conclusions Monte Carlo simulation based on the virtual source model can obtain accurate results of radiotherapy dose calculation.%目的：研究临床放疗蒙特卡洛剂量计算方法中虚拟源模型的可行性。方法通过蒙特卡洛方法模拟得到记录医用直线加速器机头出射粒子物理特性的相空间文件，分析提取相空间文件中粒子的种类、能谱及位置分布，建立半经验虚拟双光子源抽样模型。结合并
Nesterenko, Mikhail
2009-01-01
We define and explore the concept of ideal stabilization. The program is ideally stabilizing if its every state is legitimate. Ideal stabilization allows the specification designer to prescribe with arbitrary degree of precision not only the fault-free program behavior but also its recovery operation. Specifications may or may not mention all possible states. We identify approaches to designing ideal stabilization to both kinds of specifications. For the first kind, we state the necessary condition for an ideally stabilizing solution. On the basis of this condition we prove that there is no ideally stabilizing solution to the leader election problem. We illustrate the utility of the concept by providing examples of well-known programs and proving them ideally stabilizing. Specifically, we prove ideal stabilization of the conflict manager, the alternator, the propagation of information with feedback and the alternating bit protocol.
Baldoni, Marco; Ghisalberti, Carlo Angelo; Paiusco, Alessio
2016-01-01
Aim. In periodontology lasers have been suggested for the photodynamic therapy (PDT): such therapy can be defined as the inactivation of cells, microorganisms, or molecules induced by light and not by heat. The aim of this study was to evaluate results of PDT using a 980 nm diode laser (Wiser Doctor Smile, Lambda SPA, Italy) combined with hydrogen peroxide, comparing a pulsed diode laser (LI) activity to a high-frequency superpulsed diode laser (LII). Materials and Methods. Primary fibroblasts and keratinocytes cell lines, isolated from human dermis, were irradiated every 48 h for 10 days using LI and LII combined with SiOxyL+™ Solution (hydrogen peroxide (HP) stabilized with a glycerol phosphate complex). Two days after the last irradiation, the treated cultures were analyzed by flow cytofluorometry (FACS) and western blotting to quantify keratin 5 and keratin 8 with monoclonal antibodies reactive to cytokeratin 5 and cytokeratin 8. Antimicrobial activity was also evaluated. Results. Both experimental models show the superiority of LII against LI. In parallel, stabilized HP provided better results in the regeneration test in respect to common HP, while the biocidal activity remains comparable. Conclusion. The use of high-frequency lasers combined with stabilized hydrogen peroxide can provide optimal results for a substantial decrease of bacterial count combined with a maximal biostimulation induction of soft tissues and osteogenesis. PMID:27631000
Caccianiga, Gianluigi; Baldoni, Marco; Ghisalberti, Carlo Angelo; Paiusco, Alessio
2016-01-01
Aim. In periodontology lasers have been suggested for the photodynamic therapy (PDT): such therapy can be defined as the inactivation of cells, microorganisms, or molecules induced by light and not by heat. The aim of this study was to evaluate results of PDT using a 980 nm diode laser (Wiser Doctor Smile, Lambda SPA, Italy) combined with hydrogen peroxide, comparing a pulsed diode laser (LI) activity to a high-frequency superpulsed diode laser (LII). Materials and Methods. Primary fibroblasts and keratinocytes cell lines, isolated from human dermis, were irradiated every 48 h for 10 days using LI and LII combined with SiOxyL(+) ™ Solution (hydrogen peroxide (HP) stabilized with a glycerol phosphate complex). Two days after the last irradiation, the treated cultures were analyzed by flow cytofluorometry (FACS) and western blotting to quantify keratin 5 and keratin 8 with monoclonal antibodies reactive to cytokeratin 5 and cytokeratin 8. Antimicrobial activity was also evaluated. Results. Both experimental models show the superiority of LII against LI. In parallel, stabilized HP provided better results in the regeneration test in respect to common HP, while the biocidal activity remains comparable. Conclusion. The use of high-frequency lasers combined with stabilized hydrogen peroxide can provide optimal results for a substantial decrease of bacterial count combined with a maximal biostimulation induction of soft tissues and osteogenesis.
Preliminary considerations concerning actinide solubilities
Energy Technology Data Exchange (ETDEWEB)
Newton, T.W.; Bayhurst, B.P.; Daniels, W.R.; Erdal, B.R.; Ogard, A.E.
1980-01-01
Work at the Los Alamos Scientific Laboratory on the fundamental solution chemistry of the actinides has thus far been confined to preliminary considerations of the problems involved in developing an understanding of the precipitation and dissolution behavior of actinide compounds under environmental conditions. Attempts have been made to calculate solubility as a function of Eh and pH using the appropriate thermodynamic data; results have been presented in terms of contour maps showing lines of constant solubility as a function of Eh and pH. Possible methods of control of the redox potential of rock-groundwater systems by the use of Eh buffers (redox couples) is presented.
Institute of Scientific and Technical Information of China (English)
黄灵武; 王衎; 杨宗宇
2016-01-01
The paper introduces two kinds of gravity dam anti-sliding stability computation methods on the complex rock foundation which includes rigid body limit equilibrium theory and finite element method. Through computation examples,it compares and evaluates the above-mentioned computation methods,and obtains their relationship,which has provided some basis for selecting suitable computation methods.%介绍了两种计算复杂岩基上重力坝抗滑稳定的方法，即刚体平衡法与有限元法，并通过算例，对两种计算方法进行了比较评价，得出了两者之间的关系，为选择适宜的计算方法提供了依据。
Directory of Open Access Journals (Sweden)
A. Díaz Nimo
2006-09-01
Full Text Available El diseño final de una máquina termina después de construirse un prototipo y verificar que funcione correctamente. Noobstante, antes de construir el prototipo se puede modelar el equipo para detectar problemas que puedan surgir en lapropuesta inicial. La idea anterior se aplicó en una máquina para la producción de bloques a partir de suelo estabilizado.Los esquemas, cinemático y estructural de la máquina, se hicieron a partir del análisis de equipos similares y de ideaspropias. Se incluyó un sistema de accionamiento óleo hidráulico para obtener una fuerza de compactación elevada y teneruna alta productividad de bloques con la calidad requerida. Posteriormente, se determinó, de forma experimental, la fuerzade compactación aplicada a un suelo estabilizado, para producir bloques que resistan un esfuerzo a compresión establecidopor la norma de calidad. Con la fuerza de compactación definida, se modelaron las partes peligrosas del equipo, en unprograma de elementos finitos. Se muestran los resultados, señalándose como en algunos elementos, la propuesta originalfallaba, proponiéndose nuevas soluciones.Palabras claves: Diseño mecánico, suelo estabilizado, método de elementos finitos._____________________________________________________________________________AbstractThe final design of machine finishes after built a prototype and verify that it works correctly. Nevertheless, before buildingthe prototype you can model the equipment in order to detect problems that can arise in the initial proposal. The previousidea was applied in a machine for the production of blocks starting from stabilized soil. The schemes, cinematic andstructure of the machine, were made starting from the analysis of similar equipment and of own ideas. A system of oilhydraulic power was included allowing a high force of compression and having a high block productivity with the requiredquality. Later on, it was determined, in an experimental way, the
Directory of Open Access Journals (Sweden)
A. Díaz Nimo
2005-01-01
Full Text Available El diseño final de una máquina termina después de construirse un prototipo y verificar que funcione correctamente. Noobstante, antes de construir el prototipo se puede modelar el equipo para detectar problemas que puedan surgir en lapropuesta inicial. La idea anterior se aplicó en una máquina para la producción de bloques a partir de suelo estabilizado.Los esquemas, cinemático y estructural de la máquina, se hicieron a partir del análisis de equipos similares y de ideaspropias. Se incluyó un sistema de accionamiento óleo hidráulico para obtener una fuerza de compactación elevada y teneruna alta productividad de bloques con la calidad requerida. Posteriormente, se determinó, de forma experimental, la fuerzade compactación aplicada a un suelo estabilizado, para producir bloques que resistan un esfuerzo a compresión establecidopor la norma de calidad. Con la fuerza de compactación definida, se modelaron las partes peligrosas del equipo, en unprograma de elementos finitos. Se muestran los resultados, señalándose como en algunos elementos, la propuesta originalfallaba, proponiéndose nuevas soluciones.Palabras claves: Diseño mecánico, suelo estabilizado, método de elementos finitos.__________________________________________________________________________AbstractThe final design of machine finishes after built a prototype and verify that it works correctly. Nevertheless, before buildingthe prototype you can model the equipment in order to detect problems that can arise in the initial proposal. The previousidea was applied in a machine for the production of blocks starting from stabilized soil. The schemes, cinematic andstructure of the machine, were made starting from the analysis of similar equipment and of own ideas. A system of oilhydraulic power was included allowing a high force of compression and having a high block productivity with the requiredquality. Later on, it was determined, in an experimental way, the compression
Burns, Daniel; Wang, Zuoqin
2008-01-01
In this article we discuss the role of stability functions in geometric invariant theory and apply stability function techniques to problems in toric geometry. In particular we show how one can use these techniques to recover results of Burns-Guillemin-Uribe and Shiffman-Tate-Zelditch on asymptotic properties of sections of holomorphic line bundles over toric varieties.
A stabilized pairing functional
Erler, J; Reinhard, P --G
2008-01-01
We propose a modified pairing functional for nuclear structure calculations which avoids the abrupt phase transition between pairing and non-pairing states. The intended application is the description of nuclear collective motion where the smoothing of the transition is compulsory to remove singularities. The stabilized pairing functional allows a thoroughly variational formulation, unlike the Lipkin-Nogami (LN) scheme which is often used for the purpose of smoothing. First applications to nuclear ground states and collective excitations prove the reliability and efficiency of the proposed stabilized pairing.
Institute of Scientific and Technical Information of China (English)
普有登; 汤逊; 周田华; 石健; 姜伟; 张金鹏
2011-01-01
Objective To analyze the early clinical effects of Wallis dynamic stabilization system for the treatment of lumbar degenerative diseases, and to discuss the indications of this technique.Methods The clinical outcomes of 26 patients with lumbar degenerative diseases treated by only Wallis interspinous dynamic stabilization system or combined with posterior lumbar fusion were studied retrospectively.The visual analogue scale (VAS) and Japanese Orthopaedic Association (JOA) scores were recorded pre- and postoperatively.The ratio of JOA was applied to evaluate the curative effect.Results All the cases were followed up for a mean period of 14months ( rangel 6-24 months).Imaging showed all implants no loosening, dislocation or fracture.The VAS scores were 7.62 ± 1.50, 2.42 ± 1.03, 0.85 ± 0.73 at 1 d preoperative, 2 weeks postoperative and the final follow-up respectively.JOA scores were 10.12 ± 2.42, 20.62 ± 2.28, 24.92 ± 2.45 at 1 d preoperative, 2 weeks postoperative and the final follow-up respectively.The JOA improvement rates of 24 cases(92.3％ ) were good/excellent at the final follow-up.Conclusion It is benefit to use Wallis interspinous dynamic stabilization system or combination with postreior lumbar fusion for remaining motor function of reserved spinal segments, with the advantage of mini-tissue damage and excellent effects.It is a good choice for the treatment of lumbar degenerative diseases.%目的 分析Wallis棘突间动态稳定系统治疗腰椎退行性疾病的早期效果,并探讨其手术适应证.方法 分析26例单独采用Wallis棘突间动态稳定系统或联合固定融合术治疗腰椎退行性疾病患者的临床疗效和初期随访结果,记录术前及术后疼痛视觉模拟量表(visual analogue scale,VAS)评分(10分法)、下腰痛日本骨科协会(Japanese Orthopaedic Association,JOA)评分(29分法),计算JOA改善率评估手术疗效.结果 经6～24个月(平均14个月)的随访,影像学显示内置物无
Institute of Scientific and Technical Information of China (English)
高玲; 徐丽; 刘迪发; 洪彩香; 张如莲
2012-01-01
According to the testing theory and technology of distinctness, uniformity and stability of new varieties of plants, based on the resources in and abroad and UPOV guidelines ofPassiflora edulis Sims, in this paper, the subject, selection and adoption of characteristics, states of expression and selection of standard varieties, assessment of DUS of the Testing Guidelines for Passion Fruit (Passiflora L.) were elucidated in detail. The DUS test guidelines for passion fruit will provide technology structure for this kind of new variety and have great values for tropical area to accelerate the development of plant variety protection.%根据植物新品种特异性、一致性和稳定性（简称DUS）测试的原理和技术规则,参考UPOV西番莲的测试指南,结合国内外资源,研制适用于我国西番莲属植物新品种测试的指南,对其适用对象、性状的选择与确定、性状分级、标准品种的选用和DUS判定标准进行详细研讨,为西番莲属植物新品种的授权提供测试技术的支撑,为热区植物测试技术规程的建设与完善提供参考。
Moul, Martin T.; Brown, Lawrence W.
1959-01-01
A preliminary theoretical investigation has been made of the short-period longitudinal and steady-rolling (inertia coupling) stability of a hypersonic glider configuration for center-of-gravity locations rear-ward of the airplane neutral point. Such center-of-gravity positions for subsonic flight would improve performance by reducing supersonic and hypersonic static margins and trim drag. Results are presented of stability calculations and a simulator study for a velocity of 700 ft/sec and an altitude of 401,000 feet. With no augmentation, the airplane was rapidly divergent and was considered unsatisfactory in the simulator study. When a pitch damper was employed as a stability augmenter, the short-period mode became overdamped, and the airplane was easily controlled on the simulator. A steady-rolling analysis showed that the airplane can be made free of rolling divergence for all roll rates with an appropriate damper gain.
Institute of Scientific and Technical Information of China (English)
无
2011-01-01
"Stable"will be a key word for China’s economy in 2012.That’s the beat set at the annual Central Economic Work Conference held in Beijing on December 12-14,which reviewed this year’s development and mapped out plans for the next year.Policymakers at the conference decided to keep macroeconomic policies stable,seek a stable and relatively fast economic growth,stabilize consumer prices and maintain social stability in 2012.On the basis of stability,the government will transform the development model,deepen reform and improve people’s livelihood.
The TRI preliminary dataset includes the most current TRI data available and reflects toxic chemical releases and pollution prevention activities that occurred at TRI facilities during the 2016 calendar year.
Energy Technology Data Exchange (ETDEWEB)
Kourdey, A.
2002-09-15
The determination of the sliding surface of slope (dam, slope natural..) is one of the important and complicated problems in geotechnics. The Analyze of stability by the methods of Limit Equilibrium like the method of slices are the most used methods. They are able to determine a safety factor for a geometrically defined failure surface. These methods well adapted to the homogeneous mediums, have been developed a lot but they do not integrate the basic relations of mechanics (stress-strain). The numerical methods are better adapted to mediums having more complexity (effect of water, seismicity, fracturing,..). But, they are seldom used to determine a sliding surface and a safety factor. Each family offers appreciable advantages in the analysis of slope stability. For that purpose, we have developed a method that combines the advantages of the numerical methods as well as those of Limit Equilibrium allowing obtaining a slip surface determined by the calculated constraints. This slip surface may be imposed or better optimized, thus providing a minimal safety factor. Methods of operation research are used to obtain this surface. They are search methods by level, dynamic research.. or both at the same time. We integrated these developments in an existing computer code based on the method of Finite Differences known as FLAC. The stresses are determined for a linear behavior and for nonlinear. Interfaces and graphic tools are also produced to facilitate the analysis of stability. The validity of this approach was carried out for a standard case of slope, we analyzed and compared the results with the methods of Limit Equilibrium. The parametric study shows that this approach takes account of different parameters, which influences stability. We also kept a particular place for the application on real cases presenting slopes of different nature (dams, mining slops,...). (author)
DEFF Research Database (Denmark)
Hahonou, Eric Komlavi
international intervention in Niger. Their main objective is to secure their own strategic, economic and political interests by strengthening the Nigerien authorities through direct intervention and capacity building activities. For western states reinforcing state security institutions and stabilizing elite...
National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Calculator will calculate the total magnetic field, including components (declination, inclination, horizontal intensity, northerly intensity,...
Step-path failure mode and stability calculation of jointed rock slopes%岩质边坡断续裂隙阶梯状滑移模式及稳定性计算
Institute of Scientific and Technical Information of China (English)
岑夺丰; 黄达; 黄润秋
2014-01-01
Step-path failure is a kind of typical instability mode in rock slopes. Based on the summary of geological structural features of jointed rock slopes, the step-path failure mode and evolution process are studied by using the discrete element method, particle flow code in two dimensions (PFC2D). Three rock bridge failure modes in slopes can be summarized:tensile coalescence, shear coalescence and mixed tensile-shear coalescence. Through the evolution analysis of the rock mesoscopic particle bond force vector field, stress state of rock bridges and rock bridge failure, the progressive step-path failure process that rock bridge fractures one by one from the bottom up under the action of gravity is revealed, and the tensile crack development in the trailing edge of slope is due to the traction of lower part of slope. Take the slope with shallow dipping step-path parallel fissures for example (dip angle of rock bridge is 90°, and that of fissure is 30°), the step-path failure process can be distributed into four stages: elastic steady deformation of slope, failure of the lower rock bridges, failure of the upper rock bridges and development of tensile crack in the trailing edge of the slope, and the overall slipping of the slope along the failure surface. It is the critical state of instability at stage No. three that slip band sufficiently extends with micro-cracks expanding dramatically. Based on the understanding of failure modes and evolution process, three slope stability models for the step-path failure by shear coalescence, tensile coalescence and mixed tensile-shear coalescence of rock bridges are established, and the limit equilibrium formulae for the safety factor of slopes considering strength and coalescence coefficient of rock bridges are deduced.%阶梯状滑移破坏是一类典型岩质边坡破坏失稳模式。在总结断续裂隙阶梯状滑移的岩质边坡地质结构特征的基础上，利用离散元二维颗粒流程序（PFC2D）模拟研
Modern Feynman Diagrammatic One-Loop Calculations
Reiter, Thomas; Greiner, Nicolas; Guffanti, Alberto; Guillet, Jean-Philippe; Heinrich, Gudrun; Karg, Stefan; Kauer, Nikolas; Kleinschmidt, Tobias; Koch-Janusz, Maciej; Luisoni, Gionata; Mastrolia, Pierpaolo; Ossola, Giovanni; Pilon, Eric; Rodgers, Mark; Tramontano, Francesco; Wigmore, Ioan
2010-01-01
In this talk we present techniques for calculating one-loop amplitudes for multi-leg processes using Feynman diagrammatic methods in a semi-algebraic context. Our approach combines the advantages of the different methods allowing for a fast evaluation of the amplitude while monitoring the numerical stability of the calculation. In phase space regions close to singular kinematics we use a method avoiding spurious Gram determinants in the calculation. As an application of our approach we report on the status of the calculation of the amplitude for the process $pp\\to b\\bar{b}b\\bar{b}+X$.
EXPERIMENTAL INVESTIGATION AND THERMODYNAMIC CALCULATION ON PHASE PRECIPITATION OF INCONEL 740
Institute of Scientific and Technical Information of China (English)
S.Q. Zhao; Y. Jiang; J.X. Dong; X.S. Xie
2006-01-01
A novel nickel-based superalloy INCONEL 740 was under development for application in ultra-supercritical superheater tubers above 750℃. The precipitation behaviors of η phase andγ′ particles of the alloy were investigated through experimental study and phase computation.Experimental results showed that η phase formed a Widmanst(a)tten pattern structure following long-term exposure at elevated temperatures and that the coarsening of γ′ particle follows a cube rate law: (r)3 ∝t. Thermodynamic calculation results showed that Al and Ti had an important effect on the precipitation behavior of γ′ and η phases. Two suggested novel modified alloys, wherein the Al and Ti contents were modified, were designed and melted for the experimental study. The preliminary results indicated that the modified alloys exhibited higher structural stability following long-term exposure at 750℃ till 5000h.
Institute of Scientific and Technical Information of China (English)
J.L.LIONS
1999-01-01
A new algorithm for the stabilization of (possibly turbulent, chaotic) distributed systems, governed by linear or non linear systems of equations is presented. The SPA (Stabilization Parallel Algorithm) is based on a systematic parallel decomposition of the problem (related to arbitrarily overlapping decomposition of domains) and on a penalty argument. SPA is presented here for the case of linear parabolic equations: with distrjbuted or boundary control. It extends to practically all linear and non linear evolution equations, as it will be presented in several other publications.
Preliminary blasting as a means of constructing the final slopes
Energy Technology Data Exchange (ETDEWEB)
Lopez Jimeno, E.; Lopez Jimeno, C. (Lignitos de Meirama, La Coruna (Spain))
1983-01-01
In order to undertake construction of a new belt at the Meirama opencast lignite workings in the Province of Coruna it has been necessary partially to re-site the slope of the general haulage drift. Preliminary blasting was thought to be the most suitable method of blasting in order to maintain slope stability of the rock mass. (17 refs.)
UVISS preliminary visibility analysis
DEFF Research Database (Denmark)
Betto, Maurizio
1998-01-01
The goal of this work is to obtain a preliminary assessment of the sky visibility for anastronomical telescope located on the express pallet of the International SpaceStation (ISS)} taking into account the major constraints imposed on the instrument by the ISSattitude and structure. Part of the w......The goal of this work is to obtain a preliminary assessment of the sky visibility for anastronomical telescope located on the express pallet of the International SpaceStation (ISS)} taking into account the major constraints imposed on the instrument by the ISSattitude and structure. Part...
DEFF Research Database (Denmark)
Jespersen, Jesper
2004-01-01
It is demonstrated that full employment and sustainable development not necessarily are conflicting goals. On the other hand macroeconomic stability cannot be obtained without a deliberate labour sharing policy and a shift in the composition of private consumption away from traditional material...
FUEL HANDLING FACILITY BACKUP CENTRAL COMMUNICATIONS ROOM SPACE REQUIREMENTS CALCULATION
Energy Technology Data Exchange (ETDEWEB)
B. SZALEWSKI
2005-03-22
The purpose of the Fuel Handling Facility Backup Central Communications Room Space Requirements Calculation is to determine a preliminary estimate of the space required to house the backup central communications room in the Fuel Handling Facility (FHF). This room provides backup communications capability to the primary communication systems located in the Central Control Center Facility. This calculation will help guide FHF designers in allocating adequate space for communications system equipment in the FHF. This is a preliminary calculation determining preliminary estimates based on the assumptions listed in Section 4. As such, there are currently no limitations on the use of this preliminary calculation. The calculations contained in this document were developed by Design and Engineering and are intended solely for the use of Design and Engineering in its work regarding the FHF Backup Central Communications Room Space Requirements. Yucca Mountain Project personnel from Design and Engineering should be consulted before the use of the calculations for purposes other than those stated herein or use by individuals other than authorized personnel in Design and Engineering.
UVISS preliminary visibility analysis
DEFF Research Database (Denmark)
Betto, Maurizio
1998-01-01
The goal of this work is to obtain a preliminary assessment of the sky visibility for anastronomical telescope located on the express pallet of the International SpaceStation (ISS)} taking into account the major constraints imposed on the instrument by the ISSattitude and structure. Part...
Method of Calculation of Crown Wall Stability in Oblique Waves
DEFF Research Database (Denmark)
Burcharth, Hans F.
2007-01-01
The wave loading along a structure exposed to oblique waves varies in time and space. Despite of this, the wave generated pressures are usually recorded by gauges only in one position of the wall (more gauges densily spaced is regarded as one position).......The wave loading along a structure exposed to oblique waves varies in time and space. Despite of this, the wave generated pressures are usually recorded by gauges only in one position of the wall (more gauges densily spaced is regarded as one position)....
Threlfall, John
2002-01-01
Suggests that strategy choice is a misleading characterization of efficient mental calculation and that teaching mental calculation methods as a whole is not conducive to flexibility. Proposes an alternative in which calculation is thought of as an interaction between noticing and knowledge. Presents an associated teaching approach to promote…
Geochemical Calculations Using Spreadsheets.
Dutch, Steven Ian
1991-01-01
Spreadsheets are well suited to many geochemical calculations, especially those that are highly repetitive. Some of the kinds of problems that can be conveniently solved with spreadsheets include elemental abundance calculations, equilibrium abundances in nuclear decay chains, and isochron calculations. (Author/PR)
Autistic Savant Calendar Calculators.
Patti, Paul J.
This study identified 10 savants with developmental disabilities and an exceptional ability to calculate calendar dates. These "calendar calculators" were asked to demonstrate their abilities, and their strategies were analyzed. The study found that the ability to calculate dates into the past or future varied widely among these…
How Do Calculators Calculate Trigonometric Functions?
Underwood, Jeremy M.; Edwards, Bruce H.
How does your calculator quickly produce values of trigonometric functions? You might be surprised to learn that it does not use series or polynomial approximations, but rather the so-called CORDIC method. This paper will focus on the geometry of the CORDIC method, as originally developed by Volder in 1959. This algorithm is a wonderful…
Determination of Stability from Multicomponent Pesticide Mixes.
Dorweiler, Kelly J; Gurav, Jagdish N; Walbridge, James S; Ghatge, Vishwas S; Savant, Rahul H
2016-08-10
A study was conducted to evaluate the stability of 528 pesticides, metabolites, and contaminants prepared in large multicomponent mixes to enhance laboratory efficiency by allowing maximum use of the useful shelf life of the mixtures. Accelerated aging at 50 °C simulated 6 month, 1 year, and 2 year storage periods at -20 °C. Initial mixture composition was based on the instrument of analysis. After preliminary stability data had been obtained, mixtures were reformulated and re-evaluated. In all, 344 compounds showed satisfactory stability across all treatment groups, 100 compounds showed statistically significant changes between the control and the 6 month simulated storage period (27 with losses >20%), and the remainder showed borderline stability or were tested in one protocol. Stability behavior for organophosphates agreed with the proposed reaction mechanism responsible for acetylcholinesterase inhibition. A small number of compounds increased in response over time, suggesting the occurrence of degradation of precursor pesticides into these respective compounds.
Preliminary hazards analysis -- vitrification process
Energy Technology Data Exchange (ETDEWEB)
Coordes, D.; Ruggieri, M.; Russell, J.; TenBrook, W.; Yimbo, P. [Science Applications International Corp., Pleasanton, CA (United States)
1994-06-01
This paper presents a Preliminary Hazards Analysis (PHA) for mixed waste vitrification by joule heating. The purpose of performing a PHA is to establish an initial hazard categorization for a DOE nuclear facility and to identify those processes and structures which may have an impact on or be important to safety. The PHA is typically performed during and provides input to project conceptual design. The PHA is then followed by a Preliminary Safety Analysis Report (PSAR) performed during Title 1 and 2 design. The PSAR then leads to performance of the Final Safety Analysis Report performed during the facility`s construction and testing. It should be completed before routine operation of the facility commences. This PHA addresses the first four chapters of the safety analysis process, in accordance with the requirements of DOE Safety Guidelines in SG 830.110. The hazards associated with vitrification processes are evaluated using standard safety analysis methods which include: identification of credible potential hazardous energy sources; identification of preventative features of the facility or system; identification of mitigative features; and analyses of credible hazards. Maximal facility inventories of radioactive and hazardous materials are postulated to evaluate worst case accident consequences. These inventories were based on DOE-STD-1027-92 guidance and the surrogate waste streams defined by Mayberry, et al. Radiological assessments indicate that a facility, depending on the radioactive material inventory, may be an exempt, Category 3, or Category 2 facility. The calculated impacts would result in no significant impact to offsite personnel or the environment. Hazardous materials assessment indicates that a Mixed Waste Vitrification facility will be a Low Hazard facility having minimal impacts to offsite personnel and the environment.
Hamming generalized corrector for reactivity calculation
Energy Technology Data Exchange (ETDEWEB)
Suescun-Diaz, Daniel; Ibarguen-Gonzalez, Maria C.; Figueroa-Jimenez, Jorge H. [Pontificia Universidad Javeriana Cali, Cali (Colombia). Dept. de Ciencias Naturales y Matematicas
2014-06-15
This work presents the Hamming method generalized corrector for numerically resolving the differential equation of delayed neutron precursor concentration from the point kinetics equations for reactivity calculation, without using the nuclear power history or the Laplace transform. A study was carried out of several correctors with their respective modifiers with different time step calculations, to offer stability and greater precision. Better results are obtained for some correctors than with other existing methods. Reactivity can be calculated with precision of the order h{sup 5}, where h is the time step. (orig.)
MATLAB Stability and Control Toolbox Trim and Static Stability Module
Kenny, Sean P.; Crespo, Luis
2012-01-01
MATLAB Stability and Control Toolbox (MASCOT) utilizes geometric, aerodynamic, and inertial inputs to calculate air vehicle stability in a variety of critical flight conditions. The code is based on fundamental, non-linear equations of motion and is able to translate results into a qualitative, graphical scale useful to the non-expert. MASCOT was created to provide the conceptual aircraft designer accurate predictions of air vehicle stability and control characteristics. The code takes as input mass property data in the form of an inertia tensor, aerodynamic loading data, and propulsion (i.e. thrust) loading data. Using fundamental nonlinear equations of motion, MASCOT then calculates vehicle trim and static stability data for the desired flight condition(s). Available flight conditions include six horizontal and six landing rotation conditions with varying options for engine out, crosswind, and sideslip, plus three take-off rotation conditions. Results are displayed through a unique graphical interface developed to provide the non-stability and control expert conceptual design engineer a qualitative scale indicating whether the vehicle has acceptable, marginal, or unacceptable static stability characteristics. If desired, the user can also examine the detailed, quantitative results.
Energy Technology Data Exchange (ETDEWEB)
Nagao, Yoshiharu [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment
1998-03-01
In material testing reactors like the JMTR (Japan Material Testing Reactor) of 50 MW in Japan Atomic Energy Research Institute, the neutron flux and neutron energy spectra of irradiated samples show complex distributions. It is necessary to assess the neutron flux and neutron energy spectra of an irradiation field by carrying out the nuclear calculation of the core for every operation cycle. In order to advance core calculation, in the JMTR, the application of MCNP to the assessment of core reactivity and neutron flux and spectra has been investigated. In this study, in order to reduce the time for calculation and variance, the comparison of the results of the calculations by the use of K code and fixed source and the use of Weight Window were investigated. As to the calculation method, the modeling of the total JMTR core, the conditions for calculation and the adopted variance reduction technique are explained. The results of calculation are shown. Significant difference was not observed in the results of neutron flux calculations according to the difference of the modeling of fuel region in the calculations by K code and fixed source. The method of assessing the results of neutron flux calculation is described. (K.I.)
Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection
Energy Technology Data Exchange (ETDEWEB)
Ding, Hong; Dwaraknath, Shyam S.; Garten, Lauren; Ndione, Paul; Ginley, David; Persson, Kristin A.
2016-05-25
With the ultimate goal of finding new polymorphs through targeted synthesis conditions and techniques, we outline a computational framework to select optimal substrates for epitaxial growth using first principle calculations of formation energies, elastic strain energy, and topological information. To demonstrate the approach, we study the stabilization of metastable VO2 compounds which provides a rich chemical and structural polymorph space. We find that common polymorph statistics, lattice matching, and energy above hull considerations recommends homostructural growth on TiO2 substrates, where the VO2 brookite phase would be preferentially grown on the a-c TiO2 brookite plane while the columbite and anatase structures favor the a-b plane on the respective TiO2 phases. Overall, we find that a model which incorporates a geometric unit cell area matching between the substrate and the target film as well as the resulting strain energy density of the film provide qualitative agreement with experimental observations for the heterostructural growth of known VO2 polymorphs: rutile, A and B phases. The minimal interfacial geometry matching and estimated strain energy criteria provide several suggestions for substrates and substrate-film orientations for the heterostructural growth of the hitherto hypothetical anatase, brookite, and columbite polymorphs. These criteria serve as a preliminary guidance for the experimental efforts stabilizing new materials and/or polymorphs through epitaxy. The current screening algorithm is being integrated within the Materials Project online framework and data and hence publicly available.
Energy Technology Data Exchange (ETDEWEB)
Xie, Mingliang; Herbert, Horst-Juergen
2012-02-15
The geochemical reaction simulation of ground water and brines with sealing materials for a proposed repository at the Gorleben site is a task under the framework of the VSG project. The calculations presented in this report are aimed to provide a preliminary evaluation of the geochemical stability of three potential engineering barrier materials foreseen in the shaft sealing system in case of groundwater and brine intrusion. The long-term stability of these materials is a key issue for the sealing function of the shaft seals. This is governed by many factors such as geotechnical, hydraulic and geochemical processes. In order to better understand the potential effect of geochemical processes on the long-term properties of these sealing materials, geochemical simulations of the potential interactions between groundwater and brine and shaft sealing materials were performed.
DEFF Research Database (Denmark)
Hahonou, Eric Komlavi
international intervention in Niger. Their main objective is to secure their own strategic, economic and political interests by strengthening the Nigerien authorities through direct intervention and capacity building activities. For western states reinforcing state security institutions and stabilizing elite...... rule constitute the only realistic path to defend their own interests. The report suggests that international support of Nigerien security forces could be counter-productive for the re-establishment of state authority and legitimacy in the long-term. Brutal repression and violation of human rights...
STABILITY SYSTEMS VIA HURWITZ POLYNOMIALS
Directory of Open Access Journals (Sweden)
BALTAZAR AGUIRRE HERNÁNDEZ
2017-01-01
Full Text Available To analyze the stability of a linear system of differential equations ẋ = Ax we can study the location of the roots of the characteristic polynomial pA(t associated with the matrix A. We present various criteria - algebraic and geometric - that help us to determine where the roots are located without calculating them directly.
Beasley, W. H.; Petersen, D.
2013-12-01
The preliminary breakdown phase of a negative cloud-to-ground lightning flash was observed in detail. Observations were made with a Photron SA1.1 high-speed video camera operating at 9,000 frames per second, fast optical sensors, a flat-plate electric field antenna covering the SLF to MF band, and VHF and UHF radio receivers with bandwidths of 20 MHz. Bright stepwise extensions of a negative leader were observed at an altitude of 8 km during the first few milliseconds of the flash, and were coincident with bipolar electric field pulses called 'characteristic pulses'. The 2-D step lengths of the preliminary processes were in excess of 100 meters, with some 2-D step lengths in excess of 200 meters. Smaller and shorter unipolar electric field pulses were superposed onto the bipolar electric field pulses, and were coincident with VHF and UHF radio pulses. After a few milliseconds, the emerging negative stepped leader system showed a marked decrease in luminosity, step length, and propagation velocity. Details of these events will be discussed, including the possibility that the preliminary breakdown phase consists not of a single developing lightning leader system, but of multiple smaller lightning leader systems that eventually join together into a single system.
DEFF Research Database (Denmark)
Bahr, Patrick; Hutton, Graham
2015-01-01
In this article, we present a new approach to the problem of calculating compilers. In particular, we develop a simple but general technique that allows us to derive correct compilers from high-level semantics by systematic calculation, with all details of the implementation of the compilers...... falling naturally out of the calculation process. Our approach is based upon the use of standard equational reasoning techniques, and has been applied to calculate compilers for a wide range of language features and their combination, including arithmetic expressions, exceptions, state, various forms...
Radar Signature Calculation Facility
Federal Laboratory Consortium — FUNCTION: The calculation, analysis, and visualization of the spatially extended radar signatures of complex objects such as ships in a sea multipath environment and...
Electrical installation calculations basic
Kitcher, Christopher
2013-01-01
All the essential calculations required for basic electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practice. A step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3Fo
Electrical installation calculations advanced
Kitcher, Christopher
2013-01-01
All the essential calculations required for advanced electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practiceA step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3For apprentices and electrical installatio
Electronics Environmental Benefits Calculator
U.S. Environmental Protection Agency — The Electronics Environmental Benefits Calculator (EEBC) was developed to assist organizations in estimating the environmental benefits of greening their purchase,...
Methods for Melting Temperature Calculation
Hong, Qi-Jun
the melting temperature is a design criterion. We present in detail two examples of refractory materials. First, we demonstrate how key material properties that provide guidance in the design of refractory materials can be accurately determined via ab initio thermodynamic calculations in conjunction with experimental techniques based on synchrotron X-ray diffraction and thermal analysis under laser-heated aerodynamic levitation. The properties considered include melting point, heat of fusion, heat capacity, thermal expansion coefficients, thermal stability, and sublattice disordering, as illustrated in a motivating example of lanthanum zirconate (La2Zr2O7). The close agreement with experiment in the known but structurally complex compound La2Zr 2O7 provides good indication that the computation methods described can be used within a computational screening framework to identify novel refractory materials. Second, we report an extensive investigation into the melting temperatures of the Hf-C and Hf-Ta-C systems using ab initio calculations. With melting points above 4000 K, hafnium carbide (HfC) and tantalum carbide (TaC) are among the most refractory binary compounds known to date. Their mixture, with a general formula TaxHf 1-xCy, is known to have a melting point of 4215 K at the composition Ta4HfC 5, which has long been considered as the highest melting temperature for any solid. Very few measurements of melting point in tantalum and hafnium carbides have been documented, because of the obvious experimental difficulties at extreme temperatures. The investigation lets us identify three major chemical factors that contribute to the high melting temperatures. Based on these three factors, we propose and explore a new class of materials, which, according to our ab initio calculations, may possess even higher melting temperatures than Ta-Hf-C. This example also demonstrates the feasibility of materials screening and discovery via ab initio calculations for the
COMSAC: Computational Methods for Stability and Control. Part 1
Fremaux, C. Michael (Compiler); Hall, Robert M. (Compiler)
2004-01-01
Work on stability and control included the following reports:Introductory Remarks; Introduction to Computational Methods for Stability and Control (COMSAC); Stability & Control Challenges for COMSAC: a NASA Langley Perspective; Emerging CFD Capabilities and Outlook A NASA Langley Perspective; The Role for Computational Fluid Dynamics for Stability and Control:Is it Time?; Northrop Grumman Perspective on COMSAC; Boeing Integrated Defense Systems Perspective on COMSAC; Computational Methods in Stability and Control:WPAFB Perspective; Perspective: Raytheon Aircraft Company; A Greybeard's View of the State of Aerodynamic Prediction; Computational Methods for Stability and Control: A Perspective; Boeing TacAir Stability and Control Issues for Computational Fluid Dynamics; NAVAIR S&C Issues for CFD; An S&C Perspective on CFD; Issues, Challenges & Payoffs: A Boeing User s Perspective on CFD for S&C; and Stability and Control in Computational Simulations for Conceptual and Preliminary Design: the Past, Today, and Future?
Progress Toward the Analysis of the Kinetic Stabilizer Concept
Energy Technology Data Exchange (ETDEWEB)
Post, R F; Byers, J A; Cohen, R H; Fowler, T K; Ryutov, D D; Tung, L S
2005-02-08
too low in density to stabilize the plasmas in the plug cells and the central cell. The K-S resolves this dilemma by employing ion beams injected up the magnetic gradient in the ''expander'' region outside the outermost mirror in such a way that as they are compressed, stagnated, and reflected they form a ''stabilizer'' plasma in the expander. Preliminary calculations [1] showed that the power required to maintain the stabilizer beams would be orders of magnitude less than the fusion power generated. This report reviews those calculations and describes additional theoretical and computational work in progress, aimed at confirming and extending the analysis of the K-S concept as applied to axisymmetric tandem mirror systems.
Red Giant Oscillations: Stellar Models and Mode Frequency Calculations
DEFF Research Database (Denmark)
Jendreieck, A.; Weiss, A.; Aguirre, Victor Silva
2012-01-01
We present preliminary results on modelling KIC 7693833, the so far most metal-poor red-giant star observed by {\\it Kepler}. From time series spanning several months, global oscillation parameters and individual frequencies were obtained and compared to theoretical calculations. Evolution models ......_\\odot$ in radius and of about 2.5 Gyr in age....
Calculators and Polynomial Evaluation.
Weaver, J. F.
The intent of this paper is to suggest and illustrate how electronic hand-held calculators, especially non-programmable ones with limited data-storage capacity, can be used to advantage by students in one particular aspect of work with polynomial functions. The basic mathematical background upon which calculator application is built is summarized.…
Directory of Open Access Journals (Sweden)
Márcio Augusto Leite de Campos
2008-12-01
Full Text Available O objetivo deste trabalho foi desenvolver emulsões O/A contendo Cetoconazol 2,0% e avaliar sua estabilidade preliminar por meio da análise de suas características físico-químicas, tais como homogeneidade, formação de agregados, floculação, cremeação e coalescência. As emulsões foram formuladas utilizando diferentes bases autoemulsionantes, compostas por álcool cetoestearílico, álcool etoxilado, álcool graxos superiores, ácido esteárico, lanolina e outros. As emulsões foram submetidas aos testes de centrifugação, estresse térmico e ciclo gela-degela, e suas características organolépticas e físico-químicas foram avaliadas no início e no final de cada ensaio. Todas as amostras mantiveram sua homogeneidade após o teste de centrifugação, mas somente os sistemas preparados com ceras autoemulsionáveis constituídas por álcool graxos superiores (Polawax NF® e Copolímero de Amônio Acriloil dimetiltaurato VP, Trilauril 4 fosfato, Sesquisosterato de metil glicose, Óleo de flores de verão e Tetradibutil pentaeritritil hidroxihidrocinamato de Glicerina (Hostacerin NCB® ; mantiveram sua estabilidade após testes de estresse térmico e ciclo gela-degelaThe objective of this work was the development of O/W emulsions containing Ketoconazole 2.0% and to evaluate their preliminary stability by analyzing physical-chemical characteristics such as homogeneity, aggregation formation, flocculation, creaming and coalescence. The emulsions were formulated using different self-emulsifying bases, composed of cetearyl alcohol, ethoxyl alcohol, higher fatty alcohol, stearic acid, lanolin and others. The O/W emulsions were evaluated by centrifugation test, thermal stress test, and freezing/defrosting cycles, and its organoleptic and physical-chemistry characteristics were analyzed before and after each assay. All samples maintained their homogeneity after the centrifugation test, but only the systems prepared with self emulsifying
Stability of surface nanobubbles
Maheshwari, Shantanu; van der Hoef, Martin; Zhang, Xuehua; Lohse, Detlef
2015-11-01
We have studied the stability and dissolution of surface nanobubbles on the chemical heterogenous surface by performing Molecular Dynamics (MD) simulations of binary mixture consists of Lennard-Jones (LJ) particles. Recently our group has derived the exact expression for equilibrium contact angle of surface nanobubbles as a function of oversaturation of the gas concentration in bulk liquid and the lateral length of bubble. It has been showed that the contact line pinning and the oversaturation of gas concentration in bulk liquid is crucial in the stability of surface nanobubbles. Our simulations showed that how pinning of the three-phase contact line on the chemical heterogenous surface lead to the stability of the nanobubble. We have calculated the equilibrium contact angle by varying the gas concentration in bulk liquid and the lateral length of the bubble. Our results showed that the equilibrium contact angle follows the expression derived analytically by our group. We have also studied the bubble dissolution dynamics and showed the ''stick-jump'' mechanism which was also observed experimentally in case of dissolution of nanodrops.
Stovel, Katherine; Golub, Benjamin; Milgrom, Eva M Meyersson
2011-12-27
A variety of social and economic arrangements exist to facilitate the exchange of goods, services, and information over gaps in social structure. Each of these arrangements bears some relationship to the idea of brokerage, but this brokerage is rarely like the pure and formal economic intermediation seen in some modern markets. Indeed, for reasons illuminated by existing sociological and economic models, brokerage is a fragile relationship. In this paper, we review the causes of instability in brokerage and identify three social mechanisms that can stabilize fragile brokerage relationships: social isolation, broker capture, and organizational grafting. Each of these mechanisms rests on the emergence or existence of supporting institutions. We suggest that organizational grafting may be the most stable and effective resolution to the tensions inherent in brokerage, but it is also the most institutionally demanding.
Directory of Open Access Journals (Sweden)
Sunarsih Sunarsih
2013-01-01
Full Text Available This paper presents a model for natural syst ems used in Wastewater Treatment Plant (WWTP Sewon Bantul. The model is m odeling development, derived from the physical and biochemical phenomena involved in the biological treatment process. The numerical solution of the resulting on 13 simultaneous systems of nonlinear equations by the Quasi_Newton. Data validation is measured by facultative pond at the inlet and outlet of the pond to the concentration of b acteria, algae, zooplankton, organic matter, detritus, organic nitrogen, NH3, organi c phosphor, dissolved phosphorus, Dissolved Oxygen (DO, total coliform, faecal coliform and Biochemical Oxygen Demand (BOD. A simulation model is presented to predict performance regime steady state of domestic wastewater treatment facultative stabilization pond. The high degree of significant of at least 10% indicates that the effluent parameters can be reasonably accurately predicted.
Quantifiying the stability of walking using accelerometers
Waarsing, Jan H.; Mayagoitia, Ruth E.; Veltink, Peter H.
1996-01-01
A dynamic analysis method is sought to measure the relative stability of walking, using a triaxial accelerometer. A performance parameter that can be calculated from the data from the accelerometer is defined; it should give a measure of the stability of the subject. It is based on the balancing for
Preliminary evaluation of diabatic heating distribution from FGGE level 3b analysis data
Kasahara, A.; Mizzi, A. P.
1985-01-01
A method is presented for calculating the global distribution of diabatic heating rate. Preliminary results of global heating rate evaluated from the European center for Medium Range Weather Forecasts Level IIIb analysis data is also presented.
Institute of Scientific and Technical Information of China (English)
温玉锋; 孙坚
2013-01-01
采用基于投影缀加波赝势和广义梯度近似的第一性原理和特殊准随机结构模型计算FCC结构Fe-25Cu、Fe-31.25Cu、Fe-3.125Ni-25Cu和Fe-3.125Ni-31.25Cu无序固溶体的基态性质、弹性常数以及电子结构，其中无序固溶体晶胞结构建立在由特殊准随机结构方法所产生的结构模型基础上。计算结果表明：FCC 结构Fe-Ni-Cu无序固溶体存在无磁性与铁磁性两种状态，其中铁磁性 Fe-Cu 和 Fe-Ni-Cu 无序固溶体的能量相对较低；铁磁性Fe-25Cu和Fe-3.125Ni-25Cu无序固溶体不满足Born弹性稳定性准则，而Fe-31.25Cu和Fe-3.125Ni-31.25Cu无序固溶体满足Born弹性稳定性准则，以亚稳态形式存在，合金元素Ni的加入显著提高了铁磁性FCC结构Fe-31.25Cu无序固溶体的结构稳定性。%The first-principles method based on projector augmented wave pseudo-potential and generalized gradient approximation was employed to calculate the ground state properties, elastic constants and electronic structures of FCC structured Fe-25Cu, Fe-31.25Cu, Fe-3.125Ni-25Cu and Fe-3.125Ni-31.25Cu random solid solutions. The cells of the random solid solutions were established based on the special quasirandom structure (SQS) models. The calculated results show that nonmagnetic and ferromagnetic states exist in FCC Fe-Ni-Cu random solid solutions, and Fe-Cu and Fe-Ni-Cu random solid solutions in the ferromagnetic state have lower energy. The ferromagnetic Fe-25Cu and Fe-3.125Ni-25Cu random solid solutions do not satisfy Born criterion of elastic stability, whereas the Fe-31.25Cu and Fe-3.125Ni-31.25Cu random solid solutions satisfy Born criterion of elastic stability and can exist as a metastable phase. The addition of alloying element of nickel can significantly improve the structural stability of FCC Fe-31.25Cu random solid solution.
The friction of polymers around Tg,Tm : Preliminary results
DEFF Research Database (Denmark)
Sivebæk, Ion Marius; Samoilov, V N; Persson, B N J
We present Molecular Dynamics calculations involving polymers of different lengths. Polymers with lengths from 20 to 1400 carbon atoms are considered. The systems are able to simulate friction between polymer surfaces and polymer against metal. The results we present are very preliminary...
Environmental Survey preliminary report
Energy Technology Data Exchange (ETDEWEB)
1988-04-01
This report presents the preliminary findings from the first phase of the Environmental Survey of the United States Department of Energy (DOE) Sandia National Laboratories conducted August 17 through September 4, 1987. The objective of the Survey is to identify environmental problems and areas of environmental risk associated with Sandia National Laboratories-Albuquerque (SNLA). The Survey covers all environmental media and all areas of environmental regulation. It is being performed in accordance with the DOE Environmental Survey Manual. This phase of the Survey involves the review of existing site environmental data, observations of the operations carried on at SNLA, and interviews with site personnel. 85 refs., 49 figs., 48 tabs.
Ruiz Volcano: Preliminary report
Ruiz Volcano, Colombia (4.88°N, 75.32°W). All times are local (= GMT -5 hours).An explosive eruption on November 13, 1985, melted ice and snow in the summit area, generating lahars that flowed tens of kilometers down flank river valleys, killing more than 20,000 people. This is history's fourth largest single-eruption death toll, behind only Tambora in 1815 (92,000), Krakatau in 1883 (36,000), and Mount Pelée in May 1902 (28,000). The following briefly summarizes the very preliminary and inevitably conflicting information that had been received by press time.
Institute of Scientific and Technical Information of China (English)
李楠; 刘佩莉; 孔令钰; 刘畅; 杨萍
2016-01-01
OBJECTIVE:To evaluate the quality of Curcumin (Cur) solid lipid nanoparticles(SLN) dry powder inhalation (Cur-SLN-DPI)and investigate its preliminary stability. METHODS:According to related requirements of Chinese Pharmacopeia, physical and chemical properties [particle size,solubility,hygroscopicity,critical relative moisture,mobility(repose angle),wa-ter content] and quality evaluation index (main component content uniformity,emptying rate and in vitro effective part deposition rate) of powder were investigated. Preliminary stability test of pharmaceutical preparation was conducted,including accelerated test,long-term test and influential factor test. RESULTS:Average value of each index in 3 batches of Cur-SLN-DPI as follows as particle size of 3.35 μm,completely dissolved within 30 s,critical relative humidity of 70%,repose angle of 24.03 °,water con-tent of 4.57%,main component of 100.13%,content uniformity of 3.647,emptying rate of 95.17%,in vitro effective part deposi-tion rate of 28.73%. In accelerated test,after placing for 3 months,emptying rate was below 90% and in vitro effective part depo-sition rate decreased by about 5%. In long-term trial,each index had no significant change during observation period. In influential factor test,under relative humidity(RH)of 75% for 10 d,in vitro effective part deposition rate decreased by 5%;under RH of 92.5% for 5 d,capsules were softened and weight gain was more than 5%. CONCLUSIONS:The quality of Cur-SLN-DPI is up to related requirement of DPI;Cur-SLN-DPI keeps stable under light and high temperature condition,but can not keep stable under damp and heat condition. Cur-SLN-DPI should be stored in dry closed container.%目的：对姜黄素（Cur）固体脂质纳米粒（SLN）干粉吸入剂（DPI）进行质量评价及初步稳定性考察。方法：按《中国药典》相关要求对粉末的理化性质[粒径、溶解性、引湿性及临界相对湿度、流动性（休止角）、水分等]及制剂质
Flow Field Calculations for Afterburner
Institute of Scientific and Technical Information of China (English)
ZhaoJianxing; LiuQuanzhong; 等
1995-01-01
In this paper a calculation procedure for simulating the coimbustion flow in the afterburner with the heat shield,flame stabilizer and the contracting nozzle is described and evaluated by comparison with experimental data.The modified two-equation κ-ε model is employed to consider the turbulence effects,and the κ-ε-g turbulent combustion model is used to determine the reaction rate.To take into accunt the influence of heat radiation on gas temperature distribution,heat flux model is applied to predictions of heat flux distributions,The solution domain spanned the entire region between centerline and afterburner wall ,with the heat shield represented as a blockage to the mesh.The enthalpy equation and wall boundary of the heat shield require special handling for two passages in the afterburner,In order to make the computer program suitable to engineering applications,a subregional scheme is developed for calculating flow fields of complex geometries.The computational grids employed are 100×100 and 333×100(non-uniformly distributed).The numerical results are compared with experimental data,Agreement between predictions and measurements shows that the numerical method and the computational program used in the study are fairly reasonable and appopriate for primary design of the afterburner.
AGING FACILITY CRITICALITY SAFETY CALCULATIONS
Energy Technology Data Exchange (ETDEWEB)
C.E. Sanders
2004-09-10
criticality safety results to support the preliminary design of the Aging Facility. As the ongoing design evolution remains fluid, the results from this design calculation should be evaluated for applicability to any new or modified design. Consequently, the results presented in this document are limited to the current design. The information contained in this document was developed by Environmental and Nuclear Engineering and is intended for the use of Design and Engineering in its work regarding the various criticality related activities performed in the Aging Facility. Yucca Mountain Project personnel from Environmental and Nuclear Engineering should be consulted before the use of the information for purposes other than those stated herein or use by individuals other than authorized personnel in Design and Engineering.
Interval arithmetic in calculations
Bairbekova, Gaziza; Mazakov, Talgat; Djomartova, Sholpan; Nugmanova, Salima
2016-10-01
Interval arithmetic is the mathematical structure, which for real intervals defines operations analogous to ordinary arithmetic ones. This field of mathematics is also called interval analysis or interval calculations. The given math model is convenient for investigating various applied objects: the quantities, the approximate values of which are known; the quantities obtained during calculations, the values of which are not exact because of rounding errors; random quantities. As a whole, the idea of interval calculations is the use of intervals as basic data objects. In this paper, we considered the definition of interval mathematics, investigated its properties, proved a theorem, and showed the efficiency of the new interval arithmetic. Besides, we briefly reviewed the works devoted to interval analysis and observed basic tendencies of development of integral analysis and interval calculations.
Unit Cost Compendium Calculations
U.S. Environmental Protection Agency — The Unit Cost Compendium (UCC) Calculations raw data set was designed to provide for greater accuracy and consistency in the use of unit costs across the USEPA...
EFFECTIVE DISCHARGE CALCULATION GUIDE
Institute of Scientific and Technical Information of China (English)
D.S.BIEDENHARN; C.R.THORNE; P.J.SOAR; R.D.HEY; C.C.WATSON
2001-01-01
This paper presents a procedure for calculating the effective discharge for rivers with alluvial channels.An alluvial river adjusts the bankfull shape and dimensions of its channel to the wide range of flows that mobilize the boundary sediments. It has been shown that time-averaged river morphology is adjusted to the flow that, over a prolonged period, transports most sediment. This is termed the effective discharge.The effective discharge may be calculated provided that the necessary data are available or can be synthesized. The procedure for effective discharge calculation presented here is designed to have general applicability, have the capability to be applied consistently, and represent the effects of physical processes responsible for determining the channel, dimensions. An example of the calculations necessary and applications of the effective discharge concept are presented.
DEFF Research Database (Denmark)
Frederiksen, Morten
2014-01-01
Williamson’s characterisation of calculativeness as inimical to trust contradicts most sociological trust research. However, a similar argument is found within trust phenomenology. This paper re-investigates Williamson’s argument from the perspective of Løgstrup’s phenomenological theory of trust....... Contrary to Williamson, however, Løgstrup’s contention is that trust, not calculativeness, is the default attitude and only when suspicion is awoken does trust falter. The paper argues that while Williamson’s distinction between calculativeness and trust is supported by phenomenology, the analysis needs...... to take actual subjective experience into consideration. It points out that, first, Løgstrup places trust alongside calculativeness as a different mode of engaging in social interaction, rather conceiving of trust as a state or the outcome of a decision-making process. Secondly, the analysis must take...
Magnetic Field Grid Calculator
National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Properties Calculator will computes the estimated values of Earth's magnetic field(declination, inclination, vertical component, northerly...
Scientific calculating peripheral
Energy Technology Data Exchange (ETDEWEB)
Ethridge, C.D.; Nickell, J.D. Jr.; Hanna, W.H.
1979-09-01
A scientific calculating peripheral for small intelligent data acquisition and instrumentation systems and for distributed-task processing systems is established with a number-oriented microprocessor controlled by a single component universal peripheral interface microcontroller. A MOS/LSI number-oriented microprocessor provides the scientific calculating capability with Reverse Polish Notation data format. Master processor task definition storage, input data sequencing, computation processing, result reporting, and interface protocol is managed by a single component universal peripheral interface microcontroller.
Current interruption transients calculation
Peelo, David F
2014-01-01
Provides an original, detailed and practical description of current interruption transients, origins, and the circuits involved, and how they can be calculated Current Interruption Transients Calculationis a comprehensive resource for the understanding, calculation and analysis of the transient recovery voltages (TRVs) and related re-ignition or re-striking transients associated with fault current interruption and the switching of inductive and capacitive load currents in circuits. This book provides an original, detailed and practical description of current interruption transients, origins,
Shielding calculations for SSC
Energy Technology Data Exchange (ETDEWEB)
Van Ginneken, A.
1990-03-01
Monte Carlo calculations of hadron and muon shielding for SSC are reviewed with emphasis on their application to radiation safety and environmental protection. Models and algorithms for simulation of hadronic and electromagnetic showers, and for production and transport of muons in the TeV regime are briefly discussed. Capabilities and limitations of these calculations are described and illustrated with a few examples. 12 refs., 3 figs.
Geometric unsharpness calculations
Energy Technology Data Exchange (ETDEWEB)
Anderson, D.J. [International Training and Education Group (INTEG), Oakville, Ontario (Canada)
2008-07-15
The majority of radiographers' geometric unsharpness calculations are normally performed with a mathematical formula. However, a majority of codes and standards refer to the use of a nomograph for this calculation. Upon first review, the use of a nomograph appears more complicated but with a few minutes of study and practice it can be just as effective. A review of this article should provide enlightenment. (author)
Source and replica calculations
Energy Technology Data Exchange (ETDEWEB)
Whalen, P.P.
1994-02-01
The starting point of the Hiroshima-Nagasaki Dose Reevaluation Program is the energy and directional distributions of the prompt neutron and gamma-ray radiation emitted from the exploding bombs. A brief introduction to the neutron source calculations is presented. The development of our current understanding of the source problem is outlined. It is recommended that adjoint calculations be used to modify source spectra to resolve the neutron discrepancy problem.
INVAP's Nuclear Calculation System
Ignacio Mochi
2011-01-01
Since its origins in 1976, INVAP has been on continuous development of the calculation system used for design and optimization of nuclear reactors. The calculation codes have been polished and enhanced with new capabilities as they were needed or useful for the new challenges that the market imposed. The actual state of the code packages enables INVAP to design nuclear installations with complex geometries using a set of easy-to-use input files that minimize user errors due to confusion or mi...
Longitudinal Stability Study for the FACET-II e+ Damping Ring
Bane, Karl
2016-01-01
This is an initial study of the longitudinal, single-bunch stability in the proposed FACET-II e+ damping ring. It is preliminary because many vacuum chamber objects of the ring have not yet been designed.
Slope Stability Analysis Using GIS
Bouajaj, Ahmed; Bahi, Lahcen; Ouadif, Latifa; Awa, Mohamed
2016-10-01
An analysis of slope stability using Geographic Information System (GIS) is presented in this paper. The methodology is based on the calculation of the safety factor in 2D and 3D using ArcGis. Hovland's Method in 3D and 2D were used in the stability analysis of the slope located at the 34 kilometer point (K.P.34) on the highway in the North of Morocco connecting Tangier to Ksar Sghir. Results shows that the safety factors obtained in 3D are always higher than those obtained in 2D and the slope becomes unstable when the water table level is less than 1 m.
SLOPE STABILITY ANALYSIS USING GIS
Directory of Open Access Journals (Sweden)
A. Bouajaj
2016-10-01
Full Text Available An analysis of slope stability using Geographic Information System (GIS is presented in this paper. The methodology is based on the calculation of the safety factor in 2D and 3D using ArcGis. Hovland's Method in 3D and 2D were used in the stability analysis of the slope located at the 34 kilometer point (K.P.34 on the highway in the North of Morocco connecting Tangier to Ksar Sghir. Results shows that the safety factors obtained in 3D are always higher than those obtained in 2D and the slope becomes unstable when the water table level is less than 1 m.
Labview virtual instruments for calcium buffer calculations.
Reitz, Frederick B; Pollack, Gerald H
2003-01-01
Labview VIs based upon the calculator programs of Fabiato and Fabiato (J. Physiol. Paris 75 (1979) 463) are presented. The VIs comprise the necessary computations for the accurate preparation of multiple-metal buffers, for the back-calculation of buffer composition given known free metal concentrations and stability constants used, for the determination of free concentrations from a given buffer composition, and for the determination of apparent stability constants from absolute constants. As implemented, the VIs can concurrently account for up to three divalent metals, two monovalent metals and four ligands thereof, and the modular design of the VIs facilitates further extension of their capacity. As Labview VIs are inherently graphical, these VIs may serve as useful templates for those wishing to adapt this software to other platforms.
The hydrodynamics of accretion discs. Pt. 1,2. Stability. Turbulent models
Energy Technology Data Exchange (ETDEWEB)
Stewart, J.
1975-08-01
The disc is idealized to be a stationary axisymmetric toroidal flow of a compressible fluid. The stability against linearized short wavelength perturbations is discussed. When the Rayleigh and Schwarzschild criteria are satisfied, the flow is stable against axisymmetric perturbations. However, almost all non-axisymmetric perturbations are not secularly stable, and examples of dynamically unstable modes are given. For turbulent models, two new points are made. The crucial problem for the horizontal structure of the disc, the prescription of the Reynolds stress gradient, is resolved by a direct calculation from first principles. A preliminary attempt is also made to describe the vertical structure, leading to a sandwich model. The predictions of this theory are shown to be consistent with the fine scale structure of Cyg X-1. (DE)
Neyrinck, Marleen M; Vrielink, Hans
2015-02-01
It's important to work smoothly with your apheresis equipment when you are an apheresis nurse. Attention should be paid to your donor/patient and the product you're collecting. It gives additional value to your work when you are able to calculate the efficiency of your procedures. You must be capable to obtain an optimal product without putting your donor/patient at risk. Not only the total blood volume (TBV) of the donor/patient plays an important role, but also specific blood values influence the apheresis procedure. Therefore, not all donors/patients should be addressed in the same way. Calculation of TBV, extracorporeal volume, and total plasma volume is needed. Many issues determine your procedure time. By knowing the collection efficiency (CE) of your apheresis machine, you can calculate the number of blood volumes to be processed to obtain specific results. You can calculate whether you need one procedure to obtain specific results or more. It's not always needed to process 3× the TBV. In this way, it can be avoided that the donor/patient is needless long connected to the apheresis device. By calculating the CE of each device, you can also compare the various devices for quality control reasons, but also nurses/operators.
Defining resilience: A preliminary integrative literature review
Wilt, Bonnie; Long, Suzanna K.; Shoberg, Thomas G.
2016-01-01
The term “resilience” is ubiquitous in technical literature; it appears in numerous forms, such as resilience, resiliency, or resilient, and each use may have a different definition depending on the interpretation of the writer. This creates difficulties in understanding what is meant by ‘resilience’ in any given use case, especially in discussions of interdisciplinary research. To better understand this problem, this research constructs a preliminary integrative literature review to map different definitions, applications and calculation methods of resilience invoked within critical infrastructure applications. The preliminary review uses a State-of-the-Art Matrix (SAM) analysis to characterize differences in definition across disciplines and between regions. Qualifying the various usages of resilience will produce a greater precision in the literature and a deeper insight into types of data required for its evaluation, particularly with respect to critical infrastructure calculations and how such data may be analyzed. Results from this SAM analysis will create a framework of key concepts as part of the most common applications for “resilient critical infrastructure” modeling.
OFTIFEL PERSONALIZED NUTRITIONAL CALCULATOR
Directory of Open Access Journals (Sweden)
Malte BETHKE
2016-11-01
Full Text Available A food calculator for elderly people was elaborated by Centiv GmbH, an active partner in the European FP7 OPTIFEL Project, based on the functional requirement specifications and the existing recommendations for daily allowances across Europe, data which were synthetized and used to give aims in amounts per portion. The OPTIFEL Personalised Nutritional Calculator is the only available online tool which allows to determine on a personalised level the required nutrients for elderly people (65+. It has been developed mainly to support nursing homes providing best possible (personalised nutrient enriched food to their patients. The European FP7 OPTIFEL project “Optimised Food Products for Elderly Populations” aims to develop innovative products based on vegetables and fruits for elderly populations to increase length of independence. The OPTIFEL Personalised Nutritional Calculator is recommended to be used by nursing homes.
INVAP's Nuclear Calculation System
Directory of Open Access Journals (Sweden)
Ignacio Mochi
2011-01-01
Full Text Available Since its origins in 1976, INVAP has been on continuous development of the calculation system used for design and optimization of nuclear reactors. The calculation codes have been polished and enhanced with new capabilities as they were needed or useful for the new challenges that the market imposed. The actual state of the code packages enables INVAP to design nuclear installations with complex geometries using a set of easy-to-use input files that minimize user errors due to confusion or misinterpretation. A set of intuitive graphic postprocessors have also been developed providing a fast and complete visualization tool for the parameters obtained in the calculations. The capabilities and general characteristics of this deterministic software package are presented throughout the paper including several examples of its recent application.
Salgado, C A; Salgado, Carlos A.; Wiedemann, Urs Achim
2003-01-01
We calculate the probability (``quenching weight'') that a hard parton radiates an additional energy fraction due to scattering in spatially extended QCD matter. This study is based on an exact treatment of finite in-medium path length, it includes the case of a dynamically expanding medium, and it extends to the angular dependence of the medium-induced gluon radiation pattern. All calculations are done in the multiple soft scattering approximation (Baier-Dokshitzer-Mueller-Peign\\'e-Schiff--Zakharov ``BDMPS-Z''-formalism) and in the single hard scattering approximation (N=1 opacity approximation). By comparison, we establish a simple relation between transport coefficient, Debye screening mass and opacity, for which both approximations lead to comparable results. Together with this paper, a CPU-inexpensive numerical subroutine for calculating quenching weights is provided electronically. To illustrate its applications, we discuss the suppression of hadronic transverse momentum spectra in nucleus-nucleus colli...
Spin Resonance Strength Calculations
Courant, E. D.
2009-08-01
In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.
Spin resonance strength calculations
Energy Technology Data Exchange (ETDEWEB)
Courant,E.D.
2008-10-06
In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.
Stability in hovering ornithopter flight
Dietl, John M.; Garcia, Ephrahim
2008-03-01
The quasi-steady aerodynamics model is coupled to a dynamic model of ornithopter flight. Previously, the combined model has been used to calculate forward flight trajectories, each a limit cycle in the vehicle's states. The limit cycle results from the periodic wing beat, producing a periodic force while on the cycle's trajectory. This was accomplished using a multiple shooting algorithm and numerical integration in MATLAB. An analysis of hover, a crucial element to vertical takeoff and landing in adverse conditions, follows. A method to calculate plausible wing flapping motions and control surface deflections for hover is developed, employing the above flight dynamics model. Once a hovering limit cycle trajectory is found, it can be linearized in discrete time and analyzed for stability (by calculating the trajectory's Floquet multipliers a type of discrete-time eigenvalue) are calculated. The dynamic mode shapes are discussed.
Directory of Open Access Journals (Sweden)
Karla Mendonça Menezes
2013-03-01
Full Text Available OBJETIVO: Este estudo se propôs a verificar se a estimulação por meio da equoterapia é capaz de desencadear alterações no controle postural de portadores de esclerose múltipla (EM. MÉTODO: Fizeram parte deste estudo 11 portadores de EM divididos em Grupo Intervenção (GI e Grupo Controle (GC. O GI foi inserido num programa de hipoterapia durante 4 meses, sendo conduzidas 2 sessões semanais com duração de 50 minutos cada. A estabilidade postural foi avaliada utilizando uma plataforma de força (para calcular o deslocamento do centro de pressão (COP, durante 30 segundos, em postura ereta quasi-estática, com olhos abertos e fechados, antes e após o treinamento com equoterapia. O tratamento estatístico foi feito através do ANOVA e Post hoc de Tukey com pOBJETIVO: El objetivo de éste estudio fue identificar los efectos de la hipoterapia sobre el control postural en pacientes con esclerosis múltiple (EM. MÉTODO: Hicieron parte de este estudio 11 portadores de EM divididos en Grupo Intervención (GI y Grupo Control (GC. El GI fue insertado en un programa de hipoterapia durante cuatro meses, siendo realizadas dos sesiones semanales con duración de 50 minutos cada una. La estabilidad postural fue evaluada utilizando una plataforma de fuerza (para calcular el desplazamiento del centro de presión (COP, durante 30 segundos en postura erecta casi-estática, con ojos abiertos y cerrados, antes y después del entrenamiento con hipoterapia. El tratamiento estadístico fue realizado a través de ANOVA y Post hoc de Tukey con pOBJECTIVE: This study intended to identify the effects of hippotherapy on the postural control of multiple sclerosis (MS patients. METHODS: Eleven MS patients were separated into two groups: Intervention Group (IG and Control Group (CG. Hippotherapy consisted of two 50-minute sessions each week for four months. Postural stability was evaluated before and after hippotherapy using a force plate to calculate the center of
Thermal energy storage in aquifiers: preliminary information
Energy Technology Data Exchange (ETDEWEB)
Allen, R.D.
1979-12-01
Topics discussed include: conceptual designs; numerical modelling; field experiments; relevant technical information; feasibility studies; preliminary aquifer selection considerations; and preliminary design and operating considerations. (TFD)
SPECIES DIVERSITY AND STABILITY OF BIRD COMMUNITIES
Directory of Open Access Journals (Sweden)
Matsyura M.V.
2011-12-01
Full Text Available When comparing the suggested stability indicators, we obtained statistically significant correlations for indicators of annual stability of species and total number and standard deviation of the logarithm of the number. Annual Stability Index can be applied with a high degree of reliability as a characteristic of the averaged structure of the community and its pyramid of abundances. The results of correlation analysis confirm our assumptions about the correlation between stability over the years and indices of species diversity and relative uniformity.The final task of the study was to create a mathematical model of stability, where the independent variables are the indices of species diversity. The calculation of these indices allows forecasting birds’ community stability. According to the result of multiple regression for the indicators of diversity and stability of the breeding birds’ community highest correlation coefficients were obtained fro Shannon index and Simpson's dominance Index.Community stability could be determined by its overall species diversity. When considering the stability of community its diversity should be considered as a combination of uniformity of their total number and number of species. The most suitable predictors for the community stability were the nonparametric index of dominance and information-statistical indices, since they considered simultaneously evenness and richness. The community stability is subject of the complexity of its internal communications pattern.
Posturographic description of the regaining of postural stability following stroke.
Rogind, Henrik; Christensen, Jon; Danneskiold-Samsøe, Bente; Bliddal, Henning
2005-01-01
Failing balance and increased liability to falling are common complaints among hemiplegic subjects. During rehabilitation much effort is put into regaining postural stability. To describe the regaining of postural stability during rehabilitation for the first year following stroke in hemiplegic patients Twenty-six patients were included within 5 days of suffering a stroke resulting from a CT-verified clearly defined thromboembolic lesion, localized in the vascular bed of middle cerebral artery on either side. Posturographic evaluation of sway was performed on a commercially available force plate system (Balance Master Pro). Measured parameters included per cent maximum stability (PMS), per cent ankle strategy (AST), and average angular velocity (AVE). An additional parameter was derived by calculating the slope (SLP) of the linear relationship between stability and ankle strategy. SLP reflects the predisposition of the stroke patient to keep using ankle strategy when faced with increasingly difficult balance tasks. The presence of familiarization to the measurement method was examined by including a preliminary measurement not otherwise included in the analysis of changes during the first year of follow-up. The temporal evolvement of sway was described by measuring sway parameters 1, 2, 4, 8 and 52 weeks following stroke. The proportions of the variation in sway caused by measurement error and between patients were compared. All parameters improved over time, as demonstrated by significant improvements from each of week 1, 2, 4 and 8 to week 52. There was evidence of familiarisation for PMS, AST and AVE, but not for SLP. Estimation of variance components showed that between patient variation accounts for between two-thirds and four-fifths of the total variation. A considerable part of this variation was caused by individual differences in the temporal improvement of sway over time. Patients considered the evaluation of postural sway demanding and time consuming
Institute of Scientific and Technical Information of China (English)
无
2011-01-01
Compared with ellipse cavity, the spoke cavity has many advantages, especially for the low and medium beam energy. It will be used in the superconductor accelerator popular in the future. Based on the spoke cavity, we design and calculate an accelerator
Haida Numbers and Calculation.
Cogo, Robert
Experienced traders in furs, blankets, and other goods, the Haidas of the 1700's had a well-developed decimal system for counting and calculating. Their units of linear measure included the foot, yard, and fathom, or six feet. This booklet lists the numbers from 1 to 20 in English and Haida; explains the Haida use of ten, hundred, and thousand…
Curvature calculations with GEOCALC
Energy Technology Data Exchange (ETDEWEB)
Moussiaux, A.; Tombal, P.
1987-04-01
A new method for calculating the curvature tensor has been recently proposed by D. Hestenes. This method is a particular application of geometric calculus, which has been implemented in an algebraic programming language on the form of a package called GEOCALC. They show how to apply this package to the Schwarzchild case and they discuss the different results.
Daylight calculations in practice
DEFF Research Database (Denmark)
Iversen, Anne; Roy, Nicolas; Hvass, Mette;
programs can give different results. This can be due to restrictions in the program itself and/or be due to the skills of the persons setting up the models. This is crucial as daylight calculations are used to document that the demands and recommendations to daylight levels outlined by building authorities...
Complex Kohn calculations on an overset grid
Greenman, Loren; Lucchese, Robert; McCurdy, C. William
2016-05-01
An implentation of the overset grid method for complex Kohn scattering calculations is presented, along with static exchange calculations of electron-molecule scattering for small molecules including methane. The overset grid method uses multiple numerical grids, for instance Finite Element Method - Discrete Variable Representation (FEM-DVR) grids, expanded radially around multiple centers (corresponding to the individual atoms in each molecule as well as the center-of-mass of the molecule). The use of this flexible grid allows the complex angular dependence of the wavefunctions near the atomic centers to be well-described, but also allows scattering wavefunctions that oscillate rapidly at large distances to be accurately represented. Additionally, due to the use of multiple grids (and also grid shells), the method is easily parallelizable. The method has been implemented in ePolyscat, a multipurpose suite of programs for general molecular scattering calculations. It is interfaced with a number of quantum chemistry programs (including MolPro, Gaussian, GAMESS, and Columbus), from which it can read molecular orbitals and wavefunctions obtained using standard computational chemistry methods. The preliminary static exchange calculations serve as a test of the applicability.
Dependency of Tearing Mode Stability on Current and Pressure Profiles in DIII-D Hybrid Discharges
Kim, K.; Park, J. M.; Murakami, M.; La Haye, R. J.; Na, Y.-S.; SNU/ORAU; ORNL; Atomics, General; SNU; DIII-D Team
2016-10-01
Understanding the physics of the onset and evolution of tearing modes (TMs) in tokamak plasmas is important for high- β steady-state operation. Based on DIII-D steady-state hybrid experiments with accurate equilibrium reconstruction and well-measured plasma profiles, the 2/1 tearing mode can be more stable with increasing local current and pressure gradient at rational surface and with lower pressure peaking and plasma inductance. The tearing stability index Δ', estimated by the Rutherford equation with experimental mode growth rate was validated against Δ' calculated by linear eigenvalue solver (PEST3); preliminary comprehensive MHD modeling by NIMROD reproduced the TM onset reasonably well. We present a novel integrated modeling for the purpose of predicting TM onset in experiment by combining a model equilibrium reconstruction using IPS/FASTRAN, linear stability Δ' calculation using PEST3, and fitting formula for critical Δ' from NIMROD. Work supported in part by the US DoE under DE-AC05-06OR23100, DE-AC05-00OR22725, and DEFC02-04ER54698.
Preliminary Results of Field Emission Cathode Tests
Sovey, James S.; Kovaleski, Scott D.
2001-01-01
Preliminary screening tests of field emission cathodes such as chemical vapor deposited (CVD) diamond, textured pyrolytic graphite, and textured copper were conducted at background pressures typical of electric thruster test facilities to assess cathode performance and stability. Very low power electric thrusters which provide tens to hundreds micronewtons of thrust may need field emission neutralizers that have a capability of tens to hundreds of microamperes. From current voltage characteristics, it was found that the CVD diamond and textured metals cathodes clearly satisfied the Fowler-Nordheim emission relation. The CVD diamond and a textured copper cathode had average current densities of 270 and 380 mA/sq cm, respectively, at the beginning-of-life. After a few hours of operation the cathode emission currents degraded by 40 to 75% at background pressures in the 10(exp -5) Pa to 10(exp -4) Pa range. The textured pyrolytic graphite had a modest current density at beginning-of-life of 84 mA/sq cm, but this cathode was the most stable of all. Extended testing of the most promising cathodes is warranted to determine if current degradation is a burn-in effect or whether it is a long-term degradation process. Preliminary experiments with ferroelectric emission cathodes, which are ceramics with spontaneous electric polarization, were conducted. Peak current densities of 30 to 120 mA/sq cm were obtained for pulse durations of about 500 ns in the 10(exp -4) Pa pressure range.
Ship design methodologies of preliminary design
Papanikolaou, Apostolos
2014-01-01
This book deals with ship design and in particular with methodologies of the preliminary design of ships. The book is complemented by a basic bibliography and five appendices with useful updated charts for the selection of the main dimensions and other basic characteristics of different types of ships (Appendix A), the determination of hull form from the data of systematic hull form series (Appendix B), the detailed description of the relational method for the preliminary estimation of ship weights (Appendix C), a brief review of the historical evolution of shipbuilding science and technology from the prehistoric era to date (Appendix D) and finally a historical review of regulatory developments of ship's damage stability to date (Appendix E). The book can be used as textbook for ship design courses or as additional reading for university or college students of naval architecture courses and related disciplines; it may also serve as a reference book for naval architects, practicing engineers of rel...
The Preliminaries of a Reference
DEFF Research Database (Denmark)
Butler, Graham; Sadl, Urska
2017-01-01
by the reasons why the Court after an oral hearing held in the presence of the parties and eight intervening Member States, and after hearing the Advocate General did not deliver one. The comment examines the legal framework, as well as the detailed procedural rules and guidelines that govern the cooperation...... of national courts in the preliminary reference procedure. It highlights the fact that preliminary references can only work when the preliminaries of a reference – the culture of sincere cooperation and litigation, efficient communication and flexible procedural rules – are in place....
Radioprotection calculations for MEGAPIE.
Zanini, L
2005-01-01
The MEGAwatt PIlot Experiment (MEGAPIE) liquid lead-bismuth spallation neutron source will commence operation in 2006 at the SINQ facility of the Paul Scherrer Institut. Such an innovative system presents radioprotection concerns peculiar to a liquid spallation target. Several radioprotection issues have been addressed and studied by means of the Monte Carlo transport code, FLUKA. The dose rates in the room above the target, where personnel access may be needed at times, from the activated lead-bismuth and from the volatile species produced were calculated. Results indicate that the dose rate level is of the order of 40 mSv h(-1) 2 h after shutdown, but it can be reduced below the mSv h(-1) level with slight modifications to the shielding. Neutron spectra and dose rates from neutron transport, of interest for possible damage to radiation sensitive components, have also been calculated.
Radio source stability and geodetic VLBI
Gattano, César; Lambert, Sébastien
2016-04-01
The observation of the Earth's rotation by VLBI is conditioned by the celestial reference frame that should be as stable as possible. The selection of the most stable sources therefore constitutes a major step in the construction of a celestial reference frame since their stability prevents time deformation of the axes with time. The assessment of astrometric stability, i.e., the time stability the radiocenter location as detected by the VLBI, is one of the methods that were used in previous ICRF realizations (works of M. Feissel-Vernier and ICRF2). We think the same method should be addressed for the construction of the ICRF3. We analyzed the radio source time series obtained from the analysis of the data from the permanent geodetic VLBI monitoring program of the IVS. We used several utils based on basic statistics and more advanced methods (Allan variance) in order to provide a preliminary classification of sources.
Energy Technology Data Exchange (ETDEWEB)
Tak, Nam Il; Park, Won S.; Han, Seok Jung
1999-06-01
Pb-Bi eutectic chosen as a coolant of HYPER is an excellent heat transfer medium but requires relatively large pumping power. Thus the mixed cooling concept to increase economy and safety is being considered for HYPER. In this cooling concept, a large fraction of total thermal power is carried by natural circulation. However, the mixed cooling concept has been considered for conceptual designs only an it has never been applied to real reactors. The purpose of the present study is to provide simple tools to analyze mixed flow and to examine fundamental stability characteristics of mixed flow. Conventional one-dimensional approaches using mass, momentum, and energy conservation are used to describe a forced circulating flow affected by a large buoyancy force. The results of simple analysis using preliminary design parameters of HYPER show that cooling by mixed flow is possible only when the total pressure loss of system is sufficiently low. The stability behavior of mixed flow in a simple rectangular loop has been studied using numerical solutions of the governing equations. As in the case of natural circulation, three types of flow regions, such as stable, neutrally stable, and unstable regions, were found. The stability map of mixed flow has been obtained using the results of calculations. Forced flow due to the pump is found to increase the stability of the loop, since the stable portion of the stability map is increased. However, the unstable region of the mixed flow does not completely disappear, even though the pump exists. (author). 37 refs., 4 tabs., 23 figs.
Interferometric system for PM-level stability characterization
Verlaan, A.L.; Ellis, J.D.; Voigt, D.; Spronck, J.W.; Munnig Schmidt, R.H.
2010-01-01
We present a double sided, single pass Michelson heterodyne interferometer for dimensional stability measurements. In preliminary measurements, the double deadpath configuration (no sample) showed better than ±1.5 nm (2/) over 13 hours. A 30 mm stainless gauge block was then measured with a stabilit
The Effect of Political Stability on Public Education Quality
Nir, Adam E.; Kafle, Bhojraj Sharma
2013-01-01
Purpose: The purpose of this paper is to provide a preliminary analysis to evaluate the implications of political stability for educational quality, evident in the survival rate measure. Design/methodology/approach: Secondary analyses were conducted for data drawn from the Political Risk Service Report, the World Bank Report, the United Nations…
Mirror and triplet displacement energies within nuclear DFT: numerical stability
Baczyk, Pawel; Konieczka, Maciej; Nakatsukasa, Takashi; Sato, Koichi; Satula, Wojciech
2016-01-01
Isospin-symmetry-violating class II and III contact terms are introduced into the Skyrme energy density functional to account for charge dependence of the strong nuclear interaction. The two new coupling constants are adjusted to available experimental data on triplet and mirror displacement energies, respectively. We present preliminary results of the fit, focusing on its numerical stability with respect to the basis size.
Preliminary reference Earth model
Dziewonski, Adam M.; Anderson, Don L.
1981-06-01
A large data set consisting of about 1000 normal mode periods, 500 summary travel time observations, 100 normal mode Q values, mass and moment of inertia have been inverted to obtain the radial distribution of elastic properties, Q values and density in the Earth's interior. The data set was supplemented with a special study of 12 years of ISC phase data which yielded an additional 1.75 × 10 6 travel time observations for P and S waves. In order to obtain satisfactory agreement with the entire data set we were required to take into account anelastic dispersion. The introduction of transverse isotropy into the outer 220 km of the mantle was required in order to satisfy the shorter period fundamental toroidal and spheroidal modes. This anisotropy also improved the fit of the larger data set. The horizontal and vertical velocities in the upper mantle differ by 2-4%, both for P and S waves. The mantle below 220 km is not required to be anisotropic. Mantle Rayleigh waves are surprisingly sensitive to compressional velocity in the upper mantle. High S n velocities, low P n velocities and a pronounced low-velocity zone are features of most global inversion models that are suppressed when anisotropy is allowed for in the inversion. The Preliminary Reference Earth Model, PREM, and auxiliary tables showing fits to the data are presented.
Simplified shielding calculation system for high-intensity proton accelerators
Energy Technology Data Exchange (ETDEWEB)
Masumura, Tomomi; Nakashima, Hiroshi; Nakane, Yoshihiro; Sasamoto, Nobuo [Center for Neutron Science, Tokai Research Establishment, Japan Atomic Energy Research Institute, Tokai, Ibaraki (Japan)
2000-06-01
A simplified shielding calculation system is developed for applying conceptual shielding design of facilities in the joint project for high-intensity proton accelerators. The system is composed of neutron transmission calculation part for bulk shielding using simplified formulas: Moyer model and Tesch's formula, and neutron skyshine calculation part using an empirical formula: Stapleton's formula. The system is made with the Microsoft Excel software for user's convenience. This report provides a manual for the system as well as calculation conditions used in the calculation such as Moyer model's parameters. In this report preliminary results based on data at December 8, 1999, are also shown as an example. (author)
Arapahoe NWR diversion reconstruction : Preliminary
US Fish and Wildlife Service, Department of the Interior — This is a preliminary plan for a diversion reconstruction for Hubbard #2. Oklahoma #1, Dryer, Hill and Crowder sites on the Arapahoe National Wildlife Refuge.
Plutonium inventories for stabilization and stabilized materials
Energy Technology Data Exchange (ETDEWEB)
Williams, A.K.
1996-05-01
The objective of the breakout session was to identify characteristics of materials containing plutonium, the need to stabilize these materials for storage, and plans to accomplish the stabilization activities. All current stabilization activities are driven by the Defense Nuclear Facilities Safety Board Recommendation 94-1 (May 26, 1994) and by the recently completed Plutonium ES&H Vulnerability Assessment (DOE-EH-0415). The Implementation Plan for accomplishing stabilization of plutonium-bearing residues in response to the Recommendation and the Assessment was published by DOE on February 28, 1995. This Implementation Plan (IP) commits to stabilizing problem materials within 3 years, and stabilizing all other materials within 8 years. The IP identifies approximately 20 metric tons of plutonium requiring stabilization and/or repackaging. A further breakdown shows this material to consist of 8.5 metric tons of plutonium metal and alloys, 5.5 metric tons of plutonium as oxide, and 6 metric tons of plutonium as residues. Stabilization of the metal and oxide categories containing greater than 50 weight percent plutonium is covered by DOE Standard {open_quotes}Criteria for Safe Storage of Plutonium Metals and Oxides{close_quotes} December, 1994 (DOE-STD-3013-94). This standard establishes criteria for safe storage of stabilized plutonium metals and oxides for up to 50 years. Each of the DOE sites and contractors with large plutonium inventories has either started or is preparing to start stabilization activities to meet these criteria.
ASSESSMENT OF THE FINANCIAL STABILITY OF THE INSURANCE COMPANY
Directory of Open Access Journals (Sweden)
D. I. Ramazanova
2015-01-01
Full Text Available This article considers the assessment of financial stability and solvency of the insurance company, which plays an important role in the selection of the insurer potential insurers, which guarantee payment of insurance compensation when the insured event. The author's approach to assessing the financial stability of the insurance company. Investigated the order analysis of financial stability of the insurance company. Based on the proposed method calculated the indicators of financial stability of the insurance company Rosgosstrakh Ltd.
Comparison of Calculation Models for Bucket Foundation in Sand
DEFF Research Database (Denmark)
Vaitkunaite, Evelina; Molina, Salvador Devant; Ibsen, Lars Bo
The possibility of fast and rather precise preliminary offshore foundation design is desirable. The ultimate limit state of bucket foundation is investigated using three different geotechnical calculation tools: [Ibsen 2001] an analytical method, LimitState:GEO and Plaxis 3D. The study has focused...... on resultant bearing capacity of variously embedded foundation in sand. The 2D models, [Ibsen 2001] and LimitState:GEO can be used for the preliminary design because they are fast and result in a rather similar bearing capacity calculation compared with the finite element models of Plaxis 3D. The 2D models...... and their results are compared to the finite element model in Plaxis 3D in this article....
Zero Temperature Hope Calculations
Energy Technology Data Exchange (ETDEWEB)
Rozsnyai, B F
2002-07-26
The primary purpose of the HOPE code is to calculate opacities over a wide temperature and density range. It can also produce equation of state (EOS) data. Since the experimental data at the high temperature region are scarce, comparisons of predictions with the ample zero temperature data provide a valuable physics check of the code. In this report we show a selected few examples across the periodic table. Below we give a brief general information about the physics of the HOPE code. The HOPE code is an ''average atom'' (AA) Dirac-Slater self-consistent code. The AA label in the case of finite temperature means that the one-electron levels are populated according to the Fermi statistics, at zero temperature it means that the ''aufbau'' principle works, i.e. no a priory electronic configuration is set, although it can be done. As such, it is a one-particle model (any Hartree-Fock model is a one particle model). The code is an ''ion-sphere'' model, meaning that the atom under investigation is neutral within the ion-sphere radius. Furthermore, the boundary conditions for the bound states are also set at the ion-sphere radius, which distinguishes the code from the INFERNO, OPAL and STA codes. Once the self-consistent AA state is obtained, the code proceeds to generate many-electron configurations and proceeds to calculate photoabsorption in the ''detailed configuration accounting'' (DCA) scheme. However, this last feature is meaningless at zero temperature. There is one important feature in the HOPE code which should be noted; any self-consistent model is self-consistent in the space of the occupied orbitals. The unoccupied orbitals, where electrons are lifted via photoexcitation, are unphysical. The rigorous way to deal with that problem is to carry out complete self-consistent calculations both in the initial and final states connecting photoexcitations, an enormous computational task
Linewidth calculations and simulations
Strandberg, Ingrid
2016-01-01
We are currently developing a new technique to further enhance the sensitivity of collinear laser spectroscopy in order to study the most exotic nuclides available at radioactive ion beam facilities, such as ISOLDE at CERN. The overall goal is to evaluate the feasibility of the new method. This report will focus on the determination of the expected linewidth (hence resolution) of this approach. Different effects which could lead to a broadening of the linewidth, e.g. the ions' energy spread and their trajectories inside the trap, are studied with theoretical calculations as well as simulations.
Angarita, Fernando A.; University Health Network; Acuña, Sergio A.; Mount Sinai Hospital; Jimenez, Carolina; University of Toronto; Garay, Javier; Pontificia Universidad Javeriana; Gömez, David; University of Toronto; Domínguez, Luis Carlos; Pontificia Universidad Javeriana
2010-01-01
Acute calculous cholecystitis is the most important cause of cholecystectomies worldwide. We review the physiopathology of the inflammatory process in this organ secondary to biliary tract obstruction, as well as its clinical manifestations, workup, and the treatment it requires. La colecistitis calculosa aguda es la causa más importante de colecistectomías en el mundo. En esta revisión de tema se resume la fisiopatología del proceso inflamatorio de la vesículabiliar secundaria a la obstru...
Calculations in furnace technology
Davies, Clive; Hopkins, DW; Owen, WS
2013-01-01
Calculations in Furnace Technology presents the theoretical and practical aspects of furnace technology. This book provides information pertinent to the development, application, and efficiency of furnace technology. Organized into eight chapters, this book begins with an overview of the exothermic reactions that occur when carbon, hydrogen, and sulfur are burned to release the energy available in the fuel. This text then evaluates the efficiencies to measure the quantity of fuel used, of flue gases leaving the plant, of air entering, and the heat lost to the surroundings. Other chapters consi
Milling Stability Analysis Based on Chebyshev Segmentation
HUANG, Jianwei; LI, He; HAN, Ping; Wen, Bangchun
2016-09-01
Chebyshev segmentation method was used to discretize the time period contained in delay differential equation, then the Newton second-order difference quotient method was used to calculate the cutter motion vector at each time endpoint, and the Floquet theory was used to determine the stability of the milling system after getting the transfer matrix of milling system. Using the above methods, a two degree of freedom milling system stability issues were investigated, and system stability lobe diagrams were got. The results showed that the proposed methods have the following advantages. Firstly, with the same calculation accuracy, the points needed to represent the time period are less by the Chebyshev Segmentation than those of the average segmentation, and the computational efficiency of the Chebyshev Segmentation is higher. Secondly, if the time period is divided into the same parts, the stability lobe diagrams got by Chebyshev segmentation method are more accurate than those of the average segmentation.
Convection and morphological stability during directional solidification
Coriell, Sam R.; Chernov, A. A.; Murray, Bruce T.; Mcfadden, G. B.
1994-01-01
For growth of a vicinal face at constant velocity, the effect of anisotropic interface kinetics on morphological stability is calculated for a binary alloy. The dependence of the interface kinetic coefficient on crystallographic orientation is based on the motion and density of steps. Anisotropic kinetics give rise to traveling waves along the crystal-melt interface, and can lead to a significant enhancement of morphological stability. The stability enhancement increases as the orientation approaches a singular orientation and as the solidification velocity increases. Shear flows interact with the traveling waves and, depending on the direction of the flow, may either stabilize or destabilize the interface. Specific calculations are carried out for germanium-silicon alloys.
Vestibule and Cask Preparation Mechanical Handling Calculation
Energy Technology Data Exchange (ETDEWEB)
N. Ambre
2004-05-26
The scope of this document is to develop the size, operational envelopes, and major requirements of the equipment to be used in the vestibule, cask preparation area, and the crane maintenance area of the Fuel Handling Facility. This calculation is intended to support the License Application (LA) submittal of December 2004, in accordance with the directive given by DOE correspondence received on the 27th of January 2004 entitled: ''Authorization for Bechtel SAIC Company L.L.C. to Include a Bare Fuel Handling Facility and Increased Aging Capacity in the License Application, Contract Number DE-AC28-01R W12101'' (Ref. 167124). This correspondence was appended by further correspondence received on the 19th of February 2004 entitled: ''Technical Direction to Bechtel SAIC Company L.L. C. for Surface Facility Improvements, Contract Number DE-AC28-01R W12101; TDL No. 04-024'' (Ref. 16875 1). These documents give the authorization for a Fuel Handling Facility to be included in the baseline. The limitations of this preliminary calculation lie within the assumptions of section 5 , as this calculation is part of an evolutionary design process.
OECD Maximum Residue Limit Calculator
With the goal of harmonizing the calculation of maximum residue limits (MRLs) across the Organisation for Economic Cooperation and Development, the OECD has developed an MRL Calculator. View the calculator.
Improving the accuracy of dynamic mass calculation
Directory of Open Access Journals (Sweden)
Oleksandr F. Dashchenko
2015-06-01
Full Text Available With the acceleration of goods transporting, cargo accounting plays an important role in today's global and complex environment. Weight is the most reliable indicator of the materials control. Unlike many other variables that can be measured indirectly, the weight can be measured directly and accurately. Using strain-gauge transducers, weight value can be obtained within a few milliseconds; such values correspond to the momentary load, which acts on the sensor. Determination of the weight of moving transport is only possible by appropriate processing of the sensor signal. The aim of the research is to develop a methodology for weighing freight rolling stock, which increases the accuracy of the measurement of dynamic mass, in particular wagon that moves. Apart from time-series methods, preliminary filtration for improving the accuracy of calculation is used. The results of the simulation are presented.
ANALYTICAL METHODS FOR CALCULATING FAN AERODYNAMICS
Directory of Open Access Journals (Sweden)
Jan Dostal
2015-12-01
Full Text Available This paper presents results obtained between 2010 and 2014 in the field of fan aerodynamics at the Department of Composite Technology at the VZLÚ aerospace research and experimental institute in Prague – Letnany. The need for rapid and accurate methods for the preliminary design of blade machinery led to the creation of a mathematical model based on the basic laws of turbomachine aerodynamics. The mathematical model, the derivation of which is briefly described below, has been encoded in a computer programme, which enables the theoretical characteristics of a fan of the designed geometry to be determined rapidly. The validity of the mathematical model is assessed continuously by measuring model fans in the measuring unit, which was developed and manufactured specifically for this purpose. The paper also presents a comparison between measured characteristics and characteristics determined by the mathematical model as the basis for a discussion on possible causes of measured deviations and calculation deviations.
Bhatnagar, Shalabh
2017-01-01
Sound is an emerging source of renewable energy but it has some limitations. The main limitation is, the amount of energy that can be extracted from sound is very less and that is because of the velocity of the sound. The velocity of sound changes as per medium. If we could increase the velocity of the sound in a medium we would be probably able to extract more amount of energy from sound and will be able to transfer it at a higher rate. To increase the velocity of sound we should know the speed of sound. If we go by the theory of classic mechanics speed is the distance travelled by a particle divided by time whereas velocity is the displacement of particle divided by time. The speed of sound in dry air at 20 °C (68 °F) is considered to be 343.2 meters per second and it won't be wrong in saying that 342.2 meters is the velocity of sound not the speed as it's the displacement of the sound not the total distance sound wave covered. Sound travels in the form of mechanical wave, so while calculating the speed of sound the whole path of wave should be considered not just the distance traveled by sound. In this paper I would like to focus on calculating the actual speed of sound wave which can help us to extract more energy and make sound travel with faster velocity.
Multilayer optical calculations
Byrnes, Steven J
2016-01-01
When light hits a multilayer planar stack, it is reflected, refracted, and absorbed in a way that can be derived from the Fresnel equations. The analysis is treated in many textbooks, and implemented in many software programs, but certain aspects of it are difficult to find explicitly and consistently worked out in the literature. Here, we derive the formulas underlying the transfer-matrix method of calculating the optical properties of these stacks, including oblique-angle incidence, absorption-vs-position profiles, and ellipsometry parameters. We discuss and explain some strange consequences of the formulas in the situation where the incident and/or final (semi-infinite) medium are absorptive, such as calculating $T>1$ in the absence of gain. We also discuss some implementation details like complex-plane branch cuts. Finally, we derive modified formulas for including one or more "incoherent" layers, i.e. very thick layers in which interference can be neglected. This document was written in conjunction with ...
Thermochemical data for CVD modeling from ab initio calculations
Energy Technology Data Exchange (ETDEWEB)
Ho, P. [Sandia National Labs., Albuquerque, NM (United States); Melius, C.F. [Sandia National Labs., Livermore, CA (United States)
1993-12-31
Ab initio electronic-structure calculations are combined with empirical bond-additivity corrections to yield thermochemical properties of gas-phase molecules. A self-consistent set of heats of formation for molecules in the Si-H, Si-H-Cl, Si-H-F, Si-N-H and Si-N-H-F systems is presented, along with preliminary values for some Si-O-C-H species.
Preliminary Hazards Analysis Plasma Hearth Process
Energy Technology Data Exchange (ETDEWEB)
Aycock, M.; Coordes, D.; Russell, J.; TenBrook, W.; Yimbo, P. [Science Applications International Corp., Pleasanton, CA (United States)
1993-11-01
This Preliminary Hazards Analysis (PHA) for the Plasma Hearth Process (PHP) follows the requirements of United States Department of Energy (DOE) Order 5480.23 (DOE, 1992a), DOE Order 5480.21 (DOE, 1991d), DOE Order 5480.22 (DOE, 1992c), DOE Order 5481.1B (DOE, 1986), and the guidance provided in DOE Standards DOE-STD-1027-92 (DOE, 1992b). Consideration is given to ft proposed regulations published as 10 CFR 830 (DOE, 1993) and DOE Safety Guide SG 830.110 (DOE, 1992b). The purpose of performing a PRA is to establish an initial hazard categorization for a DOE nuclear facility and to identify those processes and structures which may have an impact on or be important to safety. The PHA is typically performed during and provides input to project conceptual design. The PRA then is followed by a Preliminary Safety Analysis Report (PSAR) performed during Title I and II design. This PSAR then leads to performance of the Final Safety Analysis Report performed during construction, testing, and acceptance and completed before routine operation. Radiological assessments indicate that a PHP facility, depending on the radioactive material inventory, may be an exempt, Category 3, or Category 2 facility. The calculated impacts would result in no significant impact to offsite personnel or the environment. Hazardous material assessments indicate that a PHP facility will be a Low Hazard facility having no significant impacts either onsite or offsite to personnel and the environment.
Preliminary results of ground-motion characteristics
Directory of Open Access Journals (Sweden)
Francesca Bozzoni
2012-10-01
Full Text Available The preliminary results are presented herein for the engineering applications of the characteristics of the ground motion induced by the May 20, 2012, Emilia earthquake. Shake maps are computed to provide estimates of the spatial distribution of the induced ground motion. The signals recorded at the Mirandola (MRN station, the closest to the epicenter, have been processed to obtain acceleration, velocity and displacement response spectra. Ground-motion parameters from the MRN recordings are compared with the corresponding estimates from recent ground-motion prediction equations, and with the spectra prescribed by the current Italian Building Code for different return periods. The records from the MRN station are used to plot the particle orbit (hodogram described by the waveform. The availability of results from geotechnical field tests that were performed at a few sites in the Municipality of Mirandola prior to this earthquake of May 2012 has allowed preliminary assessment of the ground response. The amplification effects at Mirandola are estimated using fully stochastic site-response analyses. The seismic input comprises seven actual records that are compatible with the Italian code-based spectrum that refers to a 475-year return period. The computed acceleration response spectrum and the associated dispersion are compared to the spectra calculated from the recordings of the MRN station. Good agreement is obtained for periods up to 1 s, especially for the peak ground acceleration. For the other periods, the spectral acceleration of the MRN recordings exceeds that of the computed spectra.
COMPARISON OF SOME LIMITS FOR STABILITY CLASSIFICATION
Institute of Scientific and Technical Information of China (English)
BI Xue-yan; LIU Feng; WU Dui
2005-01-01
Stability parameters (Monin-Obukhov length L, gradient Richardson number Ri and bulk Rischardson number Ri), which are applicable in urban environment, were discussed for ways of calculating classification standards. Gradient observations from a 325-m meteorological tower in Beijing are used to categorize Rib based on three different standards of stability proposed by D. Golder, Irwin and Houghton. The results show that it is relatively reasonable for the region of Beijing to apply the classification standard by Irwin.
Preliminary Design of a Femtosecond Oscilloscope
Gazazyan, Edmond D; Kalantaryan, Davit K; Laziev, Edouard; Margaryan, Amour
2005-01-01
The calculations on motion of electrons in a finite length electromagnetic field of linearly and circularly polarized laser beams have shown that one can use the transversal deflection of electrons on a screen at a certain distance after the interaction region for the measurement of the length and longitudinal particle distribution of femtosecond bunches. In this work the construction and preliminary parameters of various parts of a device that may be called femtosecond oscilloscope are considered. The influence of various factors, such as the energy spread and size of the electron bunches, are taken into account. For CO2 laser intensity 1016 W/cm2 and field free drift length 1m the deflection is 5.3 and 0.06 cm, while the few centimeters long interaction length between 2 mirrors requires assembling accuracy 6 mm and 1.3 micron for 20 MeV to 50 keV, respectively.
Molecular Dynamics Calculations
1996-01-01
The development of thermodynamics and statistical mechanics is very important in the history of physics, and it underlines the difficulty in dealing with systems involving many bodies, even if those bodies are identical. Macroscopic systems of atoms typically contain so many particles that it would be virtually impossible to follow the behavior of all of the particles involved. Therefore, the behavior of a complete system can only be described or predicted in statistical ways. Under a grant to the NASA Lewis Research Center, scientists at the Case Western Reserve University have been examining the use of modern computing techniques that may be able to investigate and find the behavior of complete systems that have a large number of particles by tracking each particle individually. This is the study of molecular dynamics. In contrast to Monte Carlo techniques, which incorporate uncertainty from the outset, molecular dynamics calculations are fully deterministic. Although it is still impossible to track, even on high-speed computers, each particle in a system of a trillion trillion particles, it has been found that such systems can be well simulated by calculating the trajectories of a few thousand particles. Modern computers and efficient computing strategies have been used to calculate the behavior of a few physical systems and are now being employed to study important problems such as supersonic flows in the laboratory and in space. In particular, an animated video (available in mpeg format--4.4 MB) was produced by Dr. M.J. Woo, now a National Research Council fellow at Lewis, and the G-VIS laboratory at Lewis. This video shows the behavior of supersonic shocks produced by pistons in enclosed cylinders by following exactly the behavior of thousands of particles. The major assumptions made were that the particles involved were hard spheres and that all collisions with the walls and with other particles were fully elastic. The animated video was voted one of two
Approximate Method of Calculating Forces on Rudder During Ship Sailing on a Shipping Route
Directory of Open Access Journals (Sweden)
K. Zelazny
2014-09-01
Full Text Available Service speed of a ship in real weather conditions is a basic design parameter. Forecasting of this speed at preliminary design stage is made difficult by the lack of simple but at the same accurate models of forces acting upon a ship sailing on a preset shipping route. The article presents a model for calculating forces and moment on plane rudder, useful for forecasting of ship service speed at preliminary stages of ship design.
Ahrens, Thomas J.; Okeefe, J. D.; Smither, C.; Takata, T.
1991-01-01
In the course of carrying out finite difference calculations, it was discovered that for large craters, a previously unrecognized type of crater (diameter) growth occurred which was called lip wave propagation. This type of growth is illustrated for an impact of a 1000 km (2a) silicate bolide at 12 km/sec (U) onto a silicate half-space at earth gravity (1 g). The von Misses crustal strength is 2.4 kbar. The motion at the crater lip associated with this wave type phenomena is up, outward, and then down, similar to the particle motion of a surface wave. It is shown that the crater diameter has grown d/a of approximately 25 to d/a of approximately 4 via lip propagation from Ut/a = 5.56 to 17.0 during the time when rebound occurs. A new code is being used to study partitioning of energy and momentum and cratering efficiency with self gravity for finite-sized objects rather than the previously discussed planetary half-space problems. These are important and fundamental subjects which can be addressed with smoothed particle hydrodynamic (SPH) codes. The SPH method was used to model various problems in astrophysics and planetary physics. The initial work demonstrates that the energy budget for normal and oblique impacts are distinctly different than earlier calculations for silicate projectile impact on a silicate half space. Motivated by the first striking radar images of Venus obtained by Magellan, the effect of the atmosphere on impact cratering was studied. In order the further quantify the processes of meteor break-up and trajectory scattering upon break-up, the reentry physics of meteors striking Venus' atmosphere versus that of the Earth were studied.
The Mechanics of Gross Moist Stability
Directory of Open Access Journals (Sweden)
Zeljka Fuchs
2009-08-01
Full Text Available The gross moist stability relates the net lateral outflow of moist entropy or moist static energy from an atmospheric convective region to some measure of the strength of the convection in that region. If the gross moist stability can be predicted as a function of the local environmental conditions, then it becomes the key element in understanding how convection is controlled by the large-scale flow. This paper provides a guide to the various ways in which the gross moist stability is defined and the subtleties of its calculation from observations and models. Various theories for the determination of the gross moist stability are presented and its roles in current conceptual models for the tropical atmospheric circulation are analyzed. The possible effect of negative gross moist stability on the development and dynamics of tropical disturbances is currently of great interest.
Stability analysis of free piston Stirling engines
Bégot, Sylvie; Layes, Guillaume; Lanzetta, François; Nika, Philippe
2013-03-01
This paper presents a stability analysis of a free piston Stirling engine. The model and the detailed calculation of pressures losses are exposed. Stability of the machine is studied by the observation of the eigenvalues of the model matrix. Model validation based on the comparison with NASA experimental results is described. The influence of operational and construction parameters on performance and stability issues is exposed. The results show that most parameters that are beneficial for machine power seem to induce irregular mechanical characteristics with load, suggesting that self-sustained oscillations could be difficult to maintain and control.
Probabilistic robust stabilization of fractional order systems with interval uncertainty.
Alagoz, Baris Baykant; Yeroglu, Celaleddin; Senol, Bilal; Ates, Abdullah
2015-07-01
This study investigates effects of fractional order perturbation on the robust stability of linear time invariant systems with interval uncertainty. For this propose, a probabilistic stability analysis method based on characteristic root region accommodation in the first Riemann sheet is developed for interval systems. Stability probability distribution is calculated with respect to value of fractional order. Thus, we can figure out the fractional order interval, which makes the system robust stable. Moreover, the dependence of robust stability on the fractional order perturbation is analyzed by calculating the order sensitivity of characteristic polynomials. This probabilistic approach is also used to develop a robust stabilization algorithm based on parametric perturbation strategy. We present numerical examples demonstrating utilization of stability probability distribution in robust stabilization problems of interval uncertain systems.
Calculations in bridge aeroelasticity via CFD
Energy Technology Data Exchange (ETDEWEB)
Brar, P.S.; Raul, R.; Scanlan, R.H. [Johns Hopkins Univ., Baltimore, MD (United States)
1996-12-31
The central focus of the present study is the numerical calculation of flutter derivatives. These aeroelastic coefficients play an important role in determining the stability or instability of long, flexible structures under ambient wind loading. A class of Civil Engineering structures most susceptible to such an instability are long-span bridges of the cable-stayed or suspended-span variety. The disastrous collapse of the Tacoma Narrows suspension bridge in the recent past, due to a flutter instability, has been a big impetus in motivating studies in flutter of bridge decks.
Modeling the complete Otto cycle: Preliminary version. [computer programming
Zeleznik, F. J.; Mcbride, B. J.
1977-01-01
A description is given of the equations and the computer program being developed to model the complete Otto cycle. The program incorporates such important features as: (1) heat transfer, (2) finite combustion rates, (3) complete chemical kinetics in the burned gas, (4) exhaust gas recirculation, and (5) manifold vacuum or supercharging. Changes in thermodynamic, kinetic and transport data as well as model parameters can be made without reprogramming. Preliminary calculations indicate that: (1) chemistry and heat transfer significantly affect composition and performance, (2) there seems to be a strong interaction among model parameters, and (3) a number of cycles must be calculated in order to obtain steady-state conditions.
DEFF Research Database (Denmark)
Jacobsen, Lene; Perrow, M.R.; Landkildehus, F.
1997-01-01
behavioural changes of zooplanktivores has received little attention, even though this may be an important mechanism in enhancing the stability of submerged macrophytes in shallow lakes. Preliminary observations from an unreplicated large-scale field enclosure experiment and a replicated pond experiment...
Giantomassi, Matteo; Huhs, Georg; Waroquiers, David; Gonze, Xavier
2014-03-01
Many-Body Perturbation Theory (MBPT) defines a rigorous framework for the description of excited-state properties based on the Green's function formalism. Within MBPT, one can calculate charged excitations using e.g. Hedin's GW approximation for the electron self-energy. In the same framework, neutral excitations are also well described through the solution of the Bethe-Salpeter equation (BSE). In this talk, we report on the recent developments concerning the parallelization of the MBPT algorithms available in the ABINIT code (www.abinit.org). In particular, we discuss how to improve the parallel efficiency thanks to a hybrid version that employs MPI for the coarse-grained parallelization and OpenMP (a de facto standard for parallel programming on shared memory architectures) for the fine-grained parallelization of the most CPU-intensive parts. Benchmark results obtained with the new implementation are discussed. Finally, we present results for the GW corrections of amorphous SiO2 in the presence of defects and the BSE absorption spectrum. This work has been supported by the Prace project (PaRtnership for Advanced Computing in Europe, http://www.prace-ri.eu).
Stability Study of the RERTR Fuel Microstructure
Energy Technology Data Exchange (ETDEWEB)
Jian Gan; Dennis Keiser; Brandon Miller; Daniel Wachs
2014-04-01
The irradiation stability of the interaction phases at the interface of fuel and Al alloy matrix as well as the stability of the fission gas bubble superlattice is believed to be very important to the U-Mo fuel performance. In this paper the recent result from TEM characterization of Kr ion irradiated U-10Mo-5Zr alloy will be discussed. The focus will be on the phase stability of Mo2-Zr, a dominated second phase developed at the interface of U-10Mo and the Zr barrier in a monolithic fuel plate from fuel fabrication. The Kr ion irradiations were conducted at a temperature of 200 degrees C to an ion fluence of 2.0E+16 ions/cm2. To investigate the thermal stability of the fission gas bubble superlattice, a key microstructural feature in both irradiated dispersion U-7Mo fuel and monolithic U-10Mo fuel, a FIB-TEM sample of the irradiated U-10Mo fuel (3.53E+21 fission/cm3) was used for a TEM in-situ heating experiment. The preliminary result showed extraordinary thermal stability of the fission gas bubble superlattice. The implication of the TEM observation from these two experiments on the fuel microstructural evolution under irradiation will be discussed.
Stability analysis of spacecraft power systems
Halpin, S. M.; Grigsby, L. L.; Sheble, G. B.; Nelms, R. M.
1990-01-01
The problems in applying standard electric utility models, analyses, and algorithms to the study of the stability of spacecraft power conditioning and distribution systems are discussed. Both single-phase and three-phase systems are considered. Of particular concern are the load and generator models that are used in terrestrial power system studies, as well as the standard assumptions of load and topological balance that lead to the use of the positive sequence network. The standard assumptions regarding relative speeds of subsystem dynamic responses that are made in the classical transient stability algorithm, which forms the backbone of utility-based studies, are examined. The applicability of these assumptions to a spacecraft power system stability study is discussed in detail. In addition to the classical indirect method, the applicability of Liapunov's direct methods to the stability determination of spacecraft power systems is discussed. It is pointed out that while the proposed method uses a solution process similar to the classical algorithm, the models used for the sources, loads, and networks are, in general, more accurate. Some preliminary results are given for a linear-graph, state-variable-based modeling approach to the study of the stability of space-based power distribution networks.
Preliminary dimensioning of the IFMIF Tritium Release Test Module
Energy Technology Data Exchange (ETDEWEB)
Arbeiter, Frederik, E-mail: frederik.arbeiter@kit.edu; Abou-Sena, Ali; Chen, Yuming; Freund, Jana; Klix, Axel; Kondo, Keitaro; Vladimirov, Pavel
2013-10-15
Highlights: • The design of the IFMIF Tritium Release Test Module is explained. • Nuclear responses in the module and specimens are calculated. • Temperature fields during irradiation are calculated by 1D methods. • The tritium budget is calculated by 1D methods. -- Abstract: As part of the ongoing Engineering Validation and Engineering Design Activities for the International Fusion Materials Irradiation Facility (IFMIF), an experimental device suitable for the irradiation and online tritium release measurements of solid breeder ceramics and beryllium is investigated. This experimental device is called the Tritium Release Test Module (TRTM). In the preliminary design phase, the possible thermal conditions, the tritium diffusion budgets, and the mechanical loads have been studied by analytical calculations and numerical codes. The most important results concern the tritium production and nuclear heating induced in the structures, the temperature distribution in the specimen region and the structure, and the diffusion of tritium through the safety barriers.
DEFF Research Database (Denmark)
Brorsen, Michael; Burcharth, Hans F.; Larsen, Torben
The stability of dolos armour blocks against wave attack has been investigated in wave model studies.......The stability of dolos armour blocks against wave attack has been investigated in wave model studies....
The rating reliability calculator
Directory of Open Access Journals (Sweden)
Solomon David J
2004-04-01
Full Text Available Abstract Background Rating scales form an important means of gathering evaluation data. Since important decisions are often based on these evaluations, determining the reliability of rating data can be critical. Most commonly used methods of estimating reliability require a complete set of ratings i.e. every subject being rated must be rated by each judge. Over fifty years ago Ebel described an algorithm for estimating the reliability of ratings based on incomplete data. While his article has been widely cited over the years, software based on the algorithm is not readily available. This paper describes an easy-to-use Web-based utility for estimating the reliability of ratings based on incomplete data using Ebel's algorithm. Methods The program is available public use on our server and the source code is freely available under GNU General Public License. The utility is written in PHP, a common open source imbedded scripting language. The rating data can be entered in a convenient format on the user's personal computer that the program will upload to the server for calculating the reliability and other statistics describing the ratings. Results When the program is run it displays the reliability, number of subject rated, harmonic mean number of judges rating each subject, the mean and standard deviation of the averaged ratings per subject. The program also displays the mean, standard deviation and number of ratings for each subject rated. Additionally the program will estimate the reliability of an average of a number of ratings for each subject via the Spearman-Brown prophecy formula. Conclusion This simple web-based program provides a convenient means of estimating the reliability of rating data without the need to conduct special studies in order to provide complete rating data. I would welcome other researchers revising and enhancing the program.
K stability and stability of chiral ring
Collins, Tristan C; Yau, Shing-Tung
2016-01-01
We define a notion of stability for chiral ring of four dimensional N=1 theory by introducing test chiral rings and generalized a maximization. We conjecture that a chiral ring is the chiral ring of a superconformal field theory if and only if it is stable. We then study N=1 field theory derived from D3 branes probing a three-fold singularity X, and show that the K stability which implies the existence of Ricci-flat conic metric on X is equivalent to the stability of chiral ring of the corresponding field theory.
Betchov, R
2012-01-01
Stability of Parallel Flows provides information pertinent to hydrodynamical stability. This book explores the stability problems that occur in various fields, including electronics, mechanics, oceanography, administration, economics, as well as naval and aeronautical engineering. Organized into two parts encompassing 10 chapters, this book starts with an overview of the general equations of a two-dimensional incompressible flow. This text then explores the stability of a laminar boundary layer and presents the equation of the inviscid approximation. Other chapters present the general equation
The stability safety factor calibration based on the reliability index
Institute of Scientific and Technical Information of China (English)
Tong Xiaolong; Fang Zhi
2014-01-01
When the bridge structure stability safety factor of the first type is 4,the research that whether the structure reliability index will reach target reliability index under the more-likely-to-happen collapse situation of the second type is necessary. The stability calculations of the first and the second type are made respectively for single layer and single span rigid frame bridge. Based on the critical load obtained from the stability calculation of the first type,the stability safety factor of the first type is taken as 4,and the first order reliability method is used to program and calculate the reliability index. Then,the load effect under the stability reliability index cal-culation of the first type and the critical load of the second type are employed to calculate the reliability index of the second type. The evaluation of structure stability safety factor is discussed according to reliability index. Based on the discussion above,parameter analysis of the stable critical loads of two types is made,and the in-fluence of critical load change on reliability index is researched. The result shows that stability analysis should identify collapse state;when the stability safety factor of the first type is 4,but the structure has the collapse of the second type,the reliability index cannot be ensured to reach the target reliability index under certain condi-tions.
Energy Technology Data Exchange (ETDEWEB)
Martin, E.; Gschwind, R.; Henriet, J.; Sauget, M.; Makovicka, L. [IRMA/Enisys/FEMTO-ST, Pole universitaire des Portes du Jura, place Tharradin, BP 71427, 2521 1 - Montbeliard cedex (France)
2010-07-01
In order to reduce the computing time needed by Monte Carlo codes in the field of irradiation physics, notably in dosimetry, the authors report the use of artificial neural networks in combination with preliminary Monte Carlo calculations. During the learning phase, Monte Carlo calculations are performed in homogeneous media to allow the building up of the neural network. Then, dosimetric calculations (in heterogeneous media, unknown by the network) can be performed by the so-learned network. Results with an equivalent precision can be obtained within less than one minute on a simple PC whereas several days are needed with a Monte Carlo calculation
Stability studies of Solar Optical Telescope dynamics
Gullapalli, Sarma N.; Pal, Parimal K.; Ruthven, Gregory P.
1987-01-01
The Solar Optical Telescope (SOT) is designed to operate as an attached payload mounted on the Instrument Pointing System (IPS) in the cargo bay of the Shuttle Orbiter. Pointing and control of SOT is accomplished by an active Articulated Primary Mirror (APM), an active Tertiary Mirror (TM), an elaborate set of optical sensors, electromechanical actuators and programmable controllers. The structural interactions of this complex control system are significant factors in the stability of the SOT. The preliminary stability study results of the SOT dynamical system are presented. Structural transfer functions obtained from the NASTRAN model of the structure were used. These studies apply to a single degree of freedom (elevation). Fully integrated model studies will be conducted in the future.
Storage stability of marine phospholipids emulsions
DEFF Research Database (Denmark)
Lu, Henna Fung Sieng; Nielsen, Nina Skall; Baron, Caroline Pascale
Marine phospholipids (MPL) are believed to provide more advantages than fish oil from the same source. They are considered to have a better bioavailability, a better resistance towards oxidation and a higher content of polyunsaturated fatty acids such as eicosapentaenoic (EPA) and docosahexaenoic...... of secondary volatile compounds by Solid Phase Microextraction at several time intervals at 2°C storage. Preliminary results showed that marine phospholipids emulsion has a good oxidative stability....... acids (DHA) than oily triglycerides (fish oil). Therefore, the objective of this study is to explore the feasibility of using marine phospholipids emulsions as delivery system through investigation of the physical, oxidative and hydrolytic stability of MPL emulsions with or without addition of fish oil...
Modeling and Testing of EVs - Preliminary Study and Laboratory Development
DEFF Research Database (Denmark)
Yang, Guang-Ya; Marra, Francesco; Nielsen, Arne Hejde
2010-01-01
impact at different geographical areas, as well as driving and charging patterns. Electric circuit model is deployed in this work to represent the electrical properties of a lithium-ion battery. This paper reports the preliminary modeling and validation work based on manufacturer data sheet and realistic......Electric vehicles (EVs) are expected to play a key role in the future energy management system to stabilize both supply and consumption with the presence of high penetration of renewable generation. A reasonably accurate model of battery is a key element for the study of EVs behavior and the grid...... tests, followed by the suggestions towards a feasible battery model for further studies....
Preliminary results of an intercomparison of total ozone spectrophotometers
Parsons, C. L.; Gerlach, J. C.; Williams, M. E.; Kerr, J. B.
1981-01-01
Preliminary results from an intercomparison of five total ozone spectrophotometers are presented. These are the Dobson spectrophotometer, the USSR M-83 ozonometer, the Canterbury filter photometer, the SenTran Company filter photometer, and the Brewer grating spectrophotometer. The pertinent characteristics of each are described, and conclusions are drawn about the agreement of each instrument's measurements with the Dobson's values over a time period of nearly one year. A discussion of the importance of calibration and long-term stability and reliability is included.
EVANS FUNCTIONS AND ASYMPTOTIC STABILITY OF TRAVELING WAVE SOLUTIONS
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
This paper studies the asymptotic stability of traveling wave solutions of nonlinear systems of integral-differential equations. It has been established that linear stability of traveling waves is equivalent to nonlinear stability and some “nice structure” of the spectrum of an associated operator implies the linear stability. By using the method of variation of parameter, the author defines some complex analytic function, called the Evans function. The zeros of the Evans function corresponds to the eigenvalues of the associated linear operator. By calculating the zeros of the Evans function, the asymptotic stability of the travling wave solutions is established.
THE EFFECTS OF PRELIMINARY RULINGS
Directory of Open Access Journals (Sweden)
Iuliana-Mădălina LARION
2015-07-01
Full Text Available The study analyses the effects of the preliminary rulings rendered by the Court of Justice for the judicial body that made the reference and for other bodies dealing with similar cases, for the member states, for the European Union’ s institutions and for EU legal order. Starting from the binding effect of the preliminary judgment for national judicial bodies, which requires them to follow the ruling or make a new reference, to the lack of precedent doctrine in EU law, continuing with the possibility to indirectly verify the compatibility of national law of the member states with EU law and ending with the administrative or legislative measures that can or must be taken by the member states, the study intends to highlight the limits, nuances and consequences of the binding effect. It mentions the contribution of the national courts and of the Court of Justice of the European Union to the development of EU law, such as clarifying autonomous notions and it emphasizes the preliminary procedure's attributes of being a form of judicial protection of individual rights, as well as a means to review the legality of acts of EU institutions. The paper is meant to be a useful instrument for practitioners. Therefor, it also deals with the possibility and limits of asking new questions, in order to obtain reconsideration or a refinement of the legal issue and with the problem of judicial control over the interpretation and application of the preliminary ruling by the lower court.
New Arsenic Cross Section Calculations
Energy Technology Data Exchange (ETDEWEB)
Kawano, Toshihiko [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-03-04
This report presents calculations for the new arsenic cross section. Cross sections for ^{73,74,75} As above the resonance range were calculated with a newly developed Hauser-Feshbach code, CoH3.
Cosmological Calculations on the GPU
Bard, Deborah; Allen, Mark T; Yepremyan, Hasmik; Kratochvil, Jan M
2012-01-01
Cosmological measurements require the calculation of nontrivial quantities over large datasets. The next generation of survey telescopes (such as DES, PanSTARRS, and LSST) will yield measurements of billions of galaxies. The scale of these datasets, and the nature of the calculations involved, make cosmological calculations ideal models for implementation on graphics processing units (GPUs). We consider two cosmological calculations, the two-point angular correlation function and the aperture mass statistic, and aim to improve the calculation time by constructing code for calculating them on the GPU. Using CUDA, we implement the two algorithms on the GPU and compare the calculation speeds to comparable code run on the CPU. We obtain a code speed-up of between 10 - 180x faster, compared to performing the same calculation on the CPU. The code has been made publicly available.
Predicting the Stability of Hypervalent Molecules
Mitchell, Tracy A.; Finnocchio, Debbie; Kua, Jeremy
2007-01-01
An exercise is described which introduces students to using concepts in thermochemistry to predict relative stability of a hypervalent molecule. Students will compare the energies of formation for both fluoride and the hydride by calculations and they will also explore the issue of partial ionic character in polar covalent bonds.
New Global Calculation of Nuclear Masses and Fission Barriers for Astrophysical Applications
Möller, P.; Sierk, A. J.; Bengtsson, R.; Ichikawa, T.; Iwamoto, A.
2008-05-01
The FRDM(1992) mass model [1] has an accuracy of 0.669 MeV in the region where its parameters were determined. For the 529 masses that have been measured since, its accuracy is 0.46 MeV, which is encouraging for applications far from stability in astrophysics. We are developing an improved mass model, the FRDM(2008). The improvements in the calculations with respect to the FRDM(1992) are in two main areas. (1) The macroscopic model parameters are better optimized. By simulation (adjusting to a limited set of now known nuclei) we can show that this actually makes the results more reliable in new regions of nuclei. (2) The ground-state deformation parameters are more accurately calculated. We minimize the energy in a four-dimensional deformation space (ɛ2, V3, V4, V6,) using a grid interval of 0.01 in all 4 deformation variables. The (non-finalized) FRDM (2008-a) has an accuracy of 0.596 MeV with respect to the 2003 Audi mass evaluation before triaxial shape degrees of freedom are included (in progress). When triaxiality effects are incorporated preliminary results indicate that the model accuracy will improve further, to about 0.586 MeV. We also discuss very large-scale fission-barrier calculations in the related FRLDM (2002) model, which has been shown to reproduce very satisfactorily known fission properties, for example barrier heights from 70Se to the heaviest elements, multiple fission modes in the Ra region, asymmetry of mass division in fission and the triple-humped structure found in light actinides. In the superheavy region we find barriers consistent with the observed half-lives. We have completed production calculations and obtain barrier heights for 5254 nuclei heavier than A = 170 for all nuclei between the proton and neutron drip lines. The energy is calculated for 5009325 different shapes for each nucleus and the optimum barrier between ground state and separated fragments is determined by use of an ``immersion'' technique.
Dynamic stability experiment of Maglev systems
Energy Technology Data Exchange (ETDEWEB)
Cai, Y.; Mulcahy, T.M.; Chen, S.S. [and others
1995-04-01
This report summarizes the research performed on Maglev vehicle dynamic stability at Argonne National Laboratory during the past few years. It also documents magnetic-force data obtained from both measurements and calculations. Because dynamic instability is not acceptable for any commercial Maglev system, it is important to consider this phenomenon in the development of all Maglev systems. This report presents dynamic stability experiments on Maglev systems and compares their numerical simulation with predictions calculated by a nonlinear dynamic computer code. Instabilities of an electrodynamic system (EDS)-type vehicle model were obtained from both experimental observations and computer simulations for a five-degree-of-freedom Maglev vehicle moving on a guideway consisting of double L-shaped aluminum segments attached to a rotating wheel. The experimental and theoretical analyses developed in this study identify basic stability characteristics and future research needs of Maglev systems.
Imachi, Hiroto; Yokoyama, Seiya; Kaji, Takami; Abe, Yukiya; Tada, Tomofumi; Hoshi, Takeo
2016-12-01
One-hundred-nm-scale electronic structure calculations were carried out on the K supercomputer by our original simulation code ELSES (http://www.elses.jp/) The present paper reports preliminary results of transport calculations for condensed organic polymers. Large-scale calculations are realized by novel massively parallel order-N algorithms. The transport calculations were carried out as a theoretical extension for the quantum wavepacket dynamics simulation. The method was applied to a single polymer chain and condensed polymers.
45 CFR 150.217 - Preliminary determination.
2010-10-01
... 45 Public Welfare 1 2010-10-01 2010-10-01 false Preliminary determination. 150.217 Section 150.217... Are Failing To Substantially Enforce HIPAA Requirements § 150.217 Preliminary determination. If, at... designees). (b) Notifies the State of CMS's preliminary determination that the State has failed to...
Stability Analysis of the LHC Cables for Transient Heat Depositions
Granieri, P P; Xydi, P; Baudouy, B; Bocian, D; Bottura, L; Breschi, M; Siemko, A
2008-01-01
The commissioning and the exploitation of the LHC require a good knowledge of the stability margins of the superconducting magnets with respect to beam induced heat depositions. Previous studies showed that simple numerical models are suitable to carry out stability calculations of multi-strands cables, and highlighted the relevance of the heat transfer model with the surrounding helium. In this paper we present a systematic scan of the stability margin of all types of LHC cables working at 1.9 Kagainst transient heat depositions. We specifically discuss the dependence of the stability margin on the parameters of the model, which provide an estimate of the uncertainty of the values quoted. The stability margin calculations have been performed using a zero-dimensional (0-D) numerical model, and a cooling model taking into account the relevant helium phases which may appear during a stability experiment: it includes Kapitza thermal resistance in superfluid He, boundary layer formation and heat transfer in He I,...
Preliminary study on the RF tuning of CSNS DTL
Yin, Xue-Jun; Li, A.-Hong; Xiao, Yong-Chuang; Chen, Qiang; Liu, Hua-Chang; Gong, Ke-Yun; Fu, Shi-Nian
2014-02-01
In the R&D of the CSNS Drift Tube Linac (DTL), the first unit tank with 28 drift tubes has been developed. The axial accelerating field is ramped from 2.2 MV/m to 3.1 MV/m in this tank. The required field flatness is less than ±2% with the standard deviation of 1% for the beam dynamics; the field stability should be less than 1% for machine stable operation. After successful alignment, RF tuning was carried out focusing on the field profile measurement. Four slug tuners and eleven post couplers were applied in this procedure. The ramped field and required stability had been achieved by fine adjustment of the slug tuners and post couplers. In this paper, the preliminary tuning results are presented and discussed.
Voltage-Controlled Sapphire Oscillator: Design, Development, and Preliminary Performance
Wang, R. T.; Dick, G. J.; Tjoelker, R. L.
2007-08-01
We present the design for a new short-term frequency standard, the voltage-controlled sapphire oscillator, as a practical and lower-cost alternative to a cryogenic sapphire oscillator operating at liquid helium temperatures. Performance goals are a frequency stability of 1 x 10^-14 (1 second equal to or less than tau equal to or less than 100 seconds), more than 2 years of continuous operation, and practical operability. Key elements include the sapphire resonator, low-power and long-life cryocooler, frequency compensation method, and cryo-Pound design. We report the design verification, experimental results, and test results of the cryocooler environmental sensitivity, as well as a preliminary stability measurement.
Preliminary Study on the RF tuning of CSNS DTL
Yin, Xuejun; Xiao, Yongchuang; Chen, Qiang; Liu, Huachang; Gong, Keyun; Fu, Shinan
2013-01-01
In the R&D of the CSNS Drift Tube Linac (DTL), the first unit tank with 28 drift tubes has been developed. The axial accelerating field is ramped from 2.2MV/m to 3.1MV/m in this tank. The required field flatness is less than 2 % with the standard deviation of 1 % for the beam dynamics. And the field stability should be less than 1% for machine stable operation. After the successful alignment, the RF tuning was carried out focusing on the field profile measurement. Four slug tuners and 11 post couplers were applied in this procedure. The ramped filed and required stability had been achieved by fine adjustment of the slug tuners and post couplers. In this paper, the preliminary tuning results are presented and discussed.
Preliminary dose assessment of the Chernobyl accident
Energy Technology Data Exchange (ETDEWEB)
Hull, A.P.
1987-01-01
From the major accident at Unit 4 of the Chernobyl nuclear power station, a plume of airborne radioactive fission products was initially carried northwesterly toward Poland, thence toward Scandinavia and into Central Europe. Reports of the levels of radioactivity in a variety of media and of external radiation levels were collected in the Department of Energy's Emergency Operations Center and compiled into a data bank. Portions of these and other data which were obtained directly from published and official reports were utilized to make a preliminary assessment of the extent and magnitude of the external dose to individuals downwind from Chernobyl. Radioactive /sup 131/I was the predominant fission product. The time of arrival of the plume and the maximum concentrations of /sup 131/I in air, vegetation and milk and the maximum reported depositions and external radiation levels have been tabulated country by country. A large amount of the total activity in the release was apparently carried to a significant elevation. The data suggest that in areas where rainfall occurred, deposition levels were from ten to one-hundred times those observed in nearby ''dry'' locations. Sufficient spectral data were obtained to establish average release fractions and to establish a reference spectra of the other nuclides in the release. Preliminary calculations indicated that the collective dose equivalent to the population in Scandinavia and Central Europe during the first year after the Chernobyl accident would be about 8 x 10/sup 6/ person-rem. From the Soviet report, it appears that a first year population dose of about 2 x 10/sup 7/ person-rem (2 x 10/sup 5/ Sv) will be received by the population who were downwind of Chernobyl within the U.S.S.R. during the accident and its subsequent releases over the following week. 32 refs., 14 figs., 20 tabs.
Stability of periodic arrays of vortices
Dauxois, T; Tuckerman, L S; Dauxois, Thierry; Fauve, Stephan; Tuckerman, Laurette
1995-01-01
The stability of periodic arrays of Mallier-Maslowe or Kelvin-Stuart vortices is discussed. We derive with the energy-Casimir stability method the nonlinear stability of this solution in the inviscid case as a function of the solution parameters and of the domain size. We exhibit the maximum size of the domain for which the vortex street is stable. By adapting a numerical time-stepping code, we calculate the linear stability of the Mallier-Maslowe solution in the presence of viscosity and compensating forcing. Finally, the results are discussed and compared to a recent experiment in fluids performed by Tabeling et al.~[Europhysics Letters {\\bf 3}, 459 (1987)]. Electromagnetically driven counter-rotating vortices are unstable above a critical electric current, and give way to co-rotating vortices. The importance of the friction at the bottom of the experimental apparatus is also discussed.
Surface rheology and interface stability.
Energy Technology Data Exchange (ETDEWEB)
Yaklin, Melissa A.; Cote, Raymond O.; Moffat, Harry K.; Grillet, Anne Mary; Walker, Lynn; Koehler, Timothy P.; Reichert, Matthew D. (Carnegie Mellon University, Pittsburgh, PA); Castaneda, Jaime N.; Mondy, Lisa Ann; Brooks, Carlton, F.
2010-11-01
We have developed a mature laboratory at Sandia to measure interfacial rheology, using a combination of home-built, commercially available, and customized commercial tools. An Interfacial Shear Rheometer (KSV ISR-400) was modified and the software improved to increase sensitivity and reliability. Another shear rheometer, a TA Instruments AR-G2, was equipped with a du Nouey ring, bicone geometry, and a double wall ring. These interfacial attachments were compared to each other and to the ISR. The best results with the AR-G2 were obtained with the du Nouey ring. A Micro-Interfacial Rheometer (MIR) was developed in house to obtain the much higher sensitivity given by a smaller probe. However, it was found to be difficult to apply this technique for highly elastic surfaces. Interfaces also exhibit dilatational rheology when the interface changes area, such as occurs when bubbles grow or shrink. To measure this rheological response we developed a Surface Dilatational Rheometer (SDR), in which changes in surface tension with surface area are measured during the oscillation of the volume of a pendant drop or bubble. All instruments were tested with various surfactant solutions to determine the limitations of each. In addition, foaming capability and foam stability were tested and compared with the rheology data. It was found that there was no clear correlation of surface rheology with foaming/defoaming with different types of surfactants, but, within a family of surfactants, rheology could predict the foam stability. Diffusion of surfactants to the interface and the behavior of polyelectrolytes were two subjects studied with the new equipment. Finally, surface rheological terms were added to a finite element Navier-Stokes solver and preliminary testing of the code completed. Recommendations for improved implementation were given. When completed we plan to use the computations to better interpret the experimental data and account for the effects of the underlying bulk
Impact of Modal Parameters on Milling Process Chatter Stability Lobes
Institute of Scientific and Technical Information of China (English)
LI Zhongqun; LIU Qiang
2006-01-01
Modals of the machine/tool and machine/part system are the principal factors affecting the stability of a milling process. Based on the modeling of chatter stability of milling process, the influence of modal parameters on chatter stability lobes independently or jointly has been analyzed by simulation. Peak-to-valley specific value, lobe coefficient and the corresponding calculation formula have been put forward. General laws and steps of modal simplification for multimodality system have been summarized.
National Research Council Canada - National Science Library
Jiang, Q G; Zhang, J F; Ao, Z M; Wu, Y P
2015-01-01
The interface stability of hybrid silicene/fluorosilicene nanoribbons (SFNRs) has been investigated by using density functional theory calculations, where fluorosilicene is the fully fluorinated silicene...
Esophageal clearance scintigraphy in, diabetic patients; A preliminary study
Energy Technology Data Exchange (ETDEWEB)
Karayalcin, B.; Karayalcin, U.; Aburano, Tamio; Nakajima, Kenichi; Hisada, Kinichi; Morise, Toshio; Okada, Toshihide; Takeda, Ryoyu (Kanazawa Univ. (Japan). School of Medicine)
1992-05-01
The aim of this preliminary study was to evaluate the predictive value of esophageal clearance scintigraphy (ECS) in the diagnosis of esophageal autonomic neuropathy in diabetic patients without any esophageal symptoms. A single swallon ECS was performed in 12 diabetic patients and 15 normal volunteers, and esophageal transit time (ETT) and esophageal (Es) T 1/2 values were calculated. ETT and Es 1/2 were found to be significantly prolonged in the diabetic group (p<0.01 and p<0.05, respectively). In this preliminary study, our results strongly suggest that ECS may be an important noninvasive diagnostic tool in the evaluation of diabetic patients with asymptomatic esophageal autonomic neuropathy. (author).
The stability safety factor calibration pased on the reliability index
Institute of Scientific and Technical Information of China (English)
Tong Xiaolong; Fang Zhi
2014-01-01
When the bridge structure stability safety factor of the first type is 4, the research that whether the structure reliability index will reach target reliability index under the more-likely-to-happen collapse situation of the second type is necessary. The stability calculations of the first and the second type are made respectively for single layer and single span rigid frame bridge. Based on the critical load obtained from the stability calculation of the first type, the stability safety factor of the first type is taken as 4, and the first order reliability method is used to program and calculate the reliability index. Then, the load effect under the stability reliability index cal- culation of the first type and the critical load of the second type are employed to calculate the reliability index of the second type. The evaluation of structure stability safety factor is discussed according to reliability index. Based on the discussion above, parameter analysis of the stable critical loads of two types is made, and the in- fluence of critical load change on reliability index is researched. The result shows that stability analysis should identify collapse state; when the stability safety factor of the first type is 4, but the structure has the collapse of the second type, the reliability index cannot be ensured to reach the target reliability index under certain condi- tions.
Stability of Hyperthermophilic Proteins
DEFF Research Database (Denmark)
Stiefler-Jensen, Daniel
cheaper products. One aspect that can have a large impact on the efficiency of an enzyme is its stability. By increasing the enzyme stability production cost and time can be reduced, and consumers will have a better product with longer activity. In the past it was only possible to increasing enzymes...... stability by randomly generate mutants and lengthy screening processes to identify the best new mutants. However, with the increase in available genomic sequences of thermophilic or hyperthermophilic organisms a world of enzymes with intrinsic high stability are now available. As these organisms are adapted...... to life at high temperatures so are their enzymes, as a result the high stability is accompanied by low activity at moderate temperatures. Thus, much effort had been put into decoding the mechanisms behind the high stability of the thermophilic enzymes. The hope is to enable scientist to design enzymes...
Internet Addiction: Stability and Change
Huang, Chiungjung
2010-01-01
This longitudinal study examined five indices of stability and change in Internet addiction: structural stability, mean-level stability, differential stability, individual-level stability, and ipsative stability. The study sample was 351 undergraduate students from end of freshman year to end of junior year. Convergent findings revealed stability…
Internet Addiction: Stability and Change
Huang, Chiungjung
2010-01-01
This longitudinal study examined five indices of stability and change in Internet addiction: structural stability, mean-level stability, differential stability, individual-level stability, and ipsative stability. The study sample was 351 undergraduate students from end of freshman year to end of junior year. Convergent findings revealed stability…
Triphenylphosphine Stabilized Silver Carboxylates
Institute of Scientific and Technical Information of China (English)
Jian Lin HAN; Ying Zhong SHEN; Yi PAN
2005-01-01
A series of novel triphenylphosphine stabilized silver carboxylates, potential precursors for CVD growth of ultrafast interconnection link in microelectronic devices, have been prepared and characterized.
Equilibrium calculations of firework mixtures
Energy Technology Data Exchange (ETDEWEB)
Hobbs, M.L. [Sandia National Labs., Albuquerque, NM (United States); Tanaka, Katsumi; Iida, Mitsuaki; Matsunaga, Takehiro [National Inst. of Materials and Chemical Research, Tsukuba, Ibaraki (Japan)
1994-12-31
Thermochemical equilibrium calculations have been used to calculate detonation conditions for typical firework components including three report charges, two display charges, and black powder which is used as a fuse or launch charge. Calculations were performed with a modified version of the TIGER code which allows calculations with 900 gaseous and 600 condensed product species at high pressure. The detonation calculations presented in this paper are thought to be the first report on the theoretical study of firework detonation. Measured velocities for two report charges are available and compare favorably to predicted detonation velocities. However, the measured velocities may not be true detonation velocities. Fast deflagration rather than an ideal detonation occurs when reactants contain significant amounts of slow reacting constituents such as aluminum or titanium. Despite such uncertainties in reacting pyrotechnics, the detonation calculations do show the complex nature of condensed phase formation at elevated pressures and give an upper bound for measured velocities.
Global nuclear-structure calculations
Energy Technology Data Exchange (ETDEWEB)
Moeller, P.; Nix, J.R.
1990-04-20
The revival of interest in nuclear ground-state octupole deformations that occurred in the 1980's was stimulated by observations in 1980 of particularly large deviations between calculated and experimental masses in the Ra region, in a global calculation of nuclear ground-state masses. By minimizing the total potential energy with respect to octupole shape degrees of freedom in addition to {epsilon}{sub 2} and {epsilon}{sub 4} used originally, a vastly improved agreement between calculated and experimental masses was obtained. To study the global behavior and interrelationships between other nuclear properties, we calculate nuclear ground-state masses, spins, pairing gaps and {Beta}-decay and half-lives and compare the results to experimental qualities. The calculations are based on the macroscopic-microscopic approach, with the microscopic contributions calculated in a folded-Yukawa single-particle potential.
CALCULATION OF LASER CUTTING COSTS
Directory of Open Access Journals (Sweden)
Bogdan Nedic
2016-09-01
Full Text Available The paper presents description methods of metal cutting and calculation of treatment costs based on model that is developed on Faculty of mechanical engineering in Kragujevac. Based on systematization and analysis of large number of calculation models of cutting with unconventional methods, mathematical model is derived, which is used for creating a software for calculation costs of metal cutting. Software solution enables resolving the problem of calculating the cost of laser cutting, comparison' of costs made by other unconventional methods and provides documentation that consists of reports on estimated costs.
NSLS-II Preliminary Design Report
Energy Technology Data Exchange (ETDEWEB)
Dierker, S.
2007-11-01
Following the CD0 approval of the National Synchrotron Light Source II (NSLS-II) during August 2005, Brookhaven National Laboratory prepared a conceptual design for a worldclass user facility for scientific research using synchrotron radiation. DOE SC review of the preliminary baseline in December 2006 led to the subsequent CD1 approval (approval of alternative selection and cost range). This report is the documentation of the preliminary design work for the NSLS-II facility. The preliminary design of the Accelerator Systems (Part 1) was developed mostly based of the Conceptual Design Report, except for the Booster design, which was changed from in-storage-ring tunnel configuration to in external- tunnel configuration. The design of beamlines (Part 2) is based on designs developed by engineering firms in accordance with the specification provided by the Project. The conventional facility design (Part 3) is the Title 1 preliminary design by the AE firm that met the NSLS-II requirements. Last and very important, Part 4 documents the ES&H design and considerations related to this preliminary design. The NSLS-II performance goals are motivated by the recognition that major advances in many important technology problems will require scientific breakthroughs in developing new materials with advanced properties. Achieving this will require the development of new tools that will enable the characterization of the atomic and electronic structure, chemical composition, and magnetic properties of materials, at nanoscale resolution. These tools must be nondestructive, to image and characterize buried structures and interfaces, and they must operate in a wide range of temperatures and harsh environments. The NSLS-II facility will provide ultra high brightness and flux and exceptional beam stability. It will also provide advanced insertion devices, optics, detectors, and robotics, and a suite of scientific instruments designed to maximize the scientific output of the facility
NSLS-II Preliminary Design Report
Energy Technology Data Exchange (ETDEWEB)
Dierker, S.
2007-11-01
Following the CD0 approval of the National Synchrotron Light Source II (NSLS-II) during August 2005, Brookhaven National Laboratory prepared a conceptual design for a worldclass user facility for scientific research using synchrotron radiation. DOE SC review of the preliminary baseline in December 2006 led to the subsequent CD1 approval (approval of alternative selection and cost range). This report is the documentation of the preliminary design work for the NSLS-II facility. The preliminary design of the Accelerator Systems (Part 1) was developed mostly based of the Conceptual Design Report, except for the Booster design, which was changed from in-storage-ring tunnel configuration to in external- tunnel configuration. The design of beamlines (Part 2) is based on designs developed by engineering firms in accordance with the specification provided by the Project. The conventional facility design (Part 3) is the Title 1 preliminary design by the AE firm that met the NSLS-II requirements. Last and very important, Part 4 documents the ES&H design and considerations related to this preliminary design. The NSLS-II performance goals are motivated by the recognition that major advances in many important technology problems will require scientific breakthroughs in developing new materials with advanced properties. Achieving this will require the development of new tools that will enable the characterization of the atomic and electronic structure, chemical composition, and magnetic properties of materials, at nanoscale resolution. These tools must be nondestructive, to image and characterize buried structures and interfaces, and they must operate in a wide range of temperatures and harsh environments. The NSLS-II facility will provide ultra high brightness and flux and exceptional beam stability. It will also provide advanced insertion devices, optics, detectors, and robotics, and a suite of scientific instruments designed to maximize the scientific output of the facility
Augmentation of ENDF/B fission product gamma-ray spectra by calculated spectra
Energy Technology Data Exchange (ETDEWEB)
Katakura, J. (Japan Atomic Energy Research Inst., Tokai-mura, Naka-gun, Ibaraki-ken (Japan)); England, T.R. (Los Alamos National Lab., NM (United States))
1991-11-01
Gamma-ray spectral data of the ENDF/B-V fission product decay data file have been augmented by calculated spectra. The calculations were performed with a model using beta strength functions and cascade gamma-ray transitions. The calculated spectra were applied to individual fission product nuclides. Comparisons with several hundred measured aggregate gamma spectra after fission were performed to confirm the applicability of the calculated spectra. The augmentation was extended to a preliminary ENDF/B-VI file, and to beta spectra. Appendix C provides information on the total decay energies for individual products and some comparisons of measured and aggregate values based on the preliminary ENDF/B-VI files. 15 refs., 411 figs.
Fuzzy Logic System for Slope Stability Prediction
Directory of Open Access Journals (Sweden)
Tarig Mohamed
2012-01-01
Full Text Available The main goal of this research is to predict the stability of slopes using fuzzy logic system. GeoStudio, a commercially available software was used to compute safety factors for various designs of slope. The general formulation of the software could analyze slope stability using various methods of analysis i.e. Morgenstern-Price, Janbu, Bishop and Ordinary to calculate the safety factors. After analyzing, fuzzy logic was used to predict the slope stability. Fuzzy logic is based on natural language and conceptually easy to understand, flexible, tolerant of imprecise data and able to model nonlinear functions of arbitrary complexity. Several important parameters such as height of slope, unit weight of slope material, angle of slope, coefficient of cohesion and internal angle of friction were used as the input parameters, while the factor of safety was the output parameter. A model to test the stability of the slope was generated from the calculated data. This model presented a relationship between input parameters and stability of the slopes. Results showed that the prediction using fuzzy logic was accurate and close to the target data.
Energy Technology Data Exchange (ETDEWEB)
Ayala, F.J.; Granda, J.R.; Sarti, A.
1985-01-01
The six chapters of the book cover the following aspects of strata control in surface mining: design of opencast coal sites; parameters for the geomechanical design of opencast sites; methods for calculating slope stability; calculating the stability of spoil tips with a fractured cement base; calculation of stripping ratios; and stability tables.
Geochemical Investigations of Groundwater Stability
Energy Technology Data Exchange (ETDEWEB)
Bath, Adrian [Intellisci Ltd., Loughborough (United Kingdom)
2006-05-15
groundwaters, and also by stable isotopes and uranium isotopes in secondary minerals. Information on timing of water and solute movements is important because it indicates any correlation with the timing of external events that might have perturbed and destabilised the groundwater system in the past, and allows a timescale to be estimated for the persistence of stable conditions. Data from a number of published site investigation projects and research programmes are reviewed to illustrate the patterns of geochemical data and the relationships between them, and how these are interpreted in terms of hydrodynamic stability. Data from Aespoe and Stripa and from exploratory boreholes at Finnsjoen and other sites in Sweden are compiled and discussed. Preliminary data from SKB's ongoing site investigations at Simpevarp/Laxemar and Forsmark are not considered in detail but their general similarities with Aespoe and Finnsjoen/SFR respectively are introduced into the discussion of geochemical evidence for groundwater stability in inland and coastal areas. Relevant data from Finnish sites including Olkiluoto, from the Whiteshell URL area in Canada, from Sellafield in the UK, and from the Tono area and URL in Japan are also summarised in appendices and discussed because they add further insights into the interpretation of geochemical indicators for a range of geological environments. The compiled data provide only limited scope for comparison of groundwater evolution and stability between inland and coastal areas in Sweden, because of the patchiness of representative data especially from early site studies. The external changes that might have perturbed stable groundwater conditions in the past are glaciation (i.e. melt water, mechanical loading/unloading and permafrost) and varying sea water infiltration at coastal sites due to changes in palaeo-Baltic and isostatic conditions. The present distributions of palaeo-Baltic sea water in groundwaters at coastal sites vary, reflecting
New unifying procedure for PC index calculations.
Stauning, P.
2012-04-01
The Polar Cap (PC) index is a controversial topic within the IAGA scientific community. Since 1997 discussions of the validity of the index to be endorsed as an official IAGA index have ensued. Currently, there are now the three separate PC index versions constructed from the different procedures used at the three institutes: the Arctic and Antarctic Research Institute (AARI), the Danish Meteorological Institute (DMI), and the Danish National Space Institute (DTU Space). It is demonstrated in this presentation, that two consistent unifying procedures can be built from the best elements of the three different versions. One procedure uses a set of coefficients aimed at the calculation of final PC index values to be accepted by IAGA. The other procedure uses coefficients aimed at on-line real-time production of preliminary PC index values for Space Weather monitoring applications. For each of the two cases the same procedure is used for the northern (PCN) and the southern (PCS) polar cap indices, and the derived PCN and PCS coefficients are similar.
Single universal curve for Alpha decay derived from semi-microscopic calculations
Ismail, M.; Seif, W. M.; Ellithi, A. Y.; Abdurrahman, A
2015-01-01
The universal curve is one of the simple ways to get preliminary information about the Alpha-decay half-life times of heavy nuclei. We try to find parameterization for the universal curve of Alpha decay based on semi-microscopic calculations, starting from the realistic M3Y-Reid nucleon-nucleon interaction. Within the deformed density-dependent cluster model, the penetration probability and the assault frequency are calculated using the WKB penetration probability. The deformations of daughte...
Basic principles of stability.
Egan, William; Schofield, Timothy
2009-11-01
An understanding of the principles of degradation, as well as the statistical tools for measuring product stability, is essential to management of product quality. Key to this is management of vaccine potency. Vaccine shelf life is best managed through determination of a minimum potency release requirement, which helps assure adequate potency throughout expiry. Use of statistical tools such a least squares regression analysis should be employed to model potency decay. The use of such tools provides incentive to properly design vaccine stability studies, while holding stability measurements to specification presents a disincentive for collecting valuable data. The laws of kinetics such as Arrhenius behavior help practitioners design effective accelerated stability programs, which can be utilized to manage stability after a process change. Design of stability studies should be carefully considered, with an eye to minimizing the variability of the stability parameter. In the case of measuring the degradation rate, testing at the beginning and the end of the study improves the precision of this estimate. Additional design considerations such as bracketing and matrixing improve the efficiency of stability evaluation of vaccines.
Visual attention and stability
Mathot, Sebastiaan; Theeuwes, Jan
2011-01-01
In the present review, we address the relationship between attention and visual stability. Even though with each eye, head and body movement the retinal image changes dramatically, we perceive the world as stable and are able to perform visually guided actions. However, visual stability is not as co
Conformational stability of calreticulin
DEFF Research Database (Denmark)
Jørgensen, C.S.; Trandum, C.; Larsen, N.
2005-01-01
The conformational stability of calreticulin was investigated. Apparent unfolding temperatures (T-m) increased from 31 degrees C at pH 5 to 51 degrees C at pH 9, but electrophoretic analysis revealed that calreticulin oligomerized instead of unfolding. Structural analyses showed that the single C......-terminal a-helix was of major importance to the conformational stability of calreticulin....
Energy Technology Data Exchange (ETDEWEB)
Lauber, T.S.
1980-12-01
The purpose of this report is to present a digital computer program capable of calculating the electrostatic field in an arbitrary two-dimensional configuration. The program was developed as a preliminary result in a project aimed at producing a three-dimensional program. Thus, this report represents an interim report on the entire project.
Calculation of Spectra of Solids:
DEFF Research Database (Denmark)
Lindgård, Per-Anker
1975-01-01
The Gilat-Raubenheimer method simplified to tetrahedron division is used to calculate the real and imaginary part of the dynamical response function for electrons. A frequency expansion for the real part is discussed. The Lindhard function is calculated as a test for numerical accuracy. The condu...
Calculator. Owning a Small Business.
Parma City School District, OH.
Seven activities are presented in this student workbook designed for an exploration of small business ownership and the use of the calculator in this career. Included are simulated situations in which students must use a calculator to compute property taxes; estimate payroll taxes and franchise taxes; compute pricing, approximate salaries,…
Calculating charged defects using CRYSTAL
Bailey, Christine L.; Liborio, Leandro; Mallia, Giuseppe; Tomić, Stanko; Harrison, Nicholas M.
2010-07-01
The methodology for the calculation of charged defects using the CRYSTAL program is discussed. Two example calculations are used to illustrate the methodology: He+ ions in a vacuum and two intrinsic charged defects, Cu vacancies and Ga substitution for Cu, in the chalcopyrite CuGaS2.
Economic calculation in socialist countries
Ellman, M.; Durlauf, S.N.; Blume, L.E.
2008-01-01
In the 1930s, when the classical socialist system emerged, economic decisions were based not on detailed and precise economic methods of calculation but on rough and ready political methods. An important method of economic calculation - particularly in the post-Stalin period - was that of
Phase stability of nickel and zirconium stannides
Berche, A.; Tédenac, J. C.; Jund, P.
2017-04-01
Ni-Sn-Zr alloys have many interests in different fields of application going from nuclear material applications to functional materials (such as thermoelectrics). This wide application range requires a good knowledge of the stability of the phases. In the present study, first principles calculations are used to determine the enthalpies of formation of intermediate phases and of the structural defects in some structures. Based on these data and on the literature, the stability of the phases is discussed at low and high temperatures. Finally, for the first time the complete ternary system is described in the whole temperature range.
Stability of casein micelles in milk
Tuinier, R.; de Kruif, C. G.
2002-07-01
Casein micelles in milk are proteinaceous colloidal particles and are essential for the production of flocculated and gelled products such as yogurt, cheese, and ice-cream. The colloidal stability of casein micelles is described here by a calculation of the pair potential, containing the essential contributions of brush repulsion, electrostatic repulsion, and van der Waals attraction. The parameters required are taken from the literature. The results are expressed by the second osmotic virial coefficient and are quite consistent with experimental findings. It appears that the stability is mainly attributable to a steric layer of κ-casein, which can be described as a salted polyelectrolyte brush.
Multigrid method for stability problems
Taasan, Shlomo
1988-01-01
The problem of calculating the stability of steady state solutions of differential equations is treated. Leading eigenvalues (i.e., having maximal real part) of large matrices that arise from discretization are to be calculated. An efficient multigrid method for solving these problems is presented. The method begins by obtaining an initial approximation for the dominant subspace on a coarse level using a damped Jacobi relaxation. This proceeds until enough accuracy for the dominant subspace has been obtained. The resulting grid functions are then used as an initial approximation for appropriate eigenvalue problems. These problems are being solved first on coarse levels, followed by refinement until a desired accuracy for the eigenvalues has been achieved. The method employs local relaxation on all levels together with a global change on the coarsest level only, which is designed to separate the different eigenfunctions as well as to update their corresponding eigenvalues. Coarsening is done using the FAS formulation in a non-standard way in which the right hand side of the coarse grid equations involves unknown parameters to be solved for on the coarse grid. This in particular leads to a new multigrid method for calculating the eigenvalues of symmetric problems. Numerical experiments with a model problem demonstrate the effectiveness of the method proposed. Using an FMG algorithm a solution to the level of discretization errors is obtained in just a few work units (less than 10), where a work unit is the work involved in one Jacobi relization on the finest level.
Stabilizing Randomly Switched Systems
Chatterjee, Debasish
2008-01-01
This article is concerned with stability analysis and stabilization of randomly switched systems under a class of switching signals. The switching signal is modeled as a jump stochastic (not necessarily Markovian) process independent of the system state; it selects, at each instant of time, the active subsystem from a family of systems. Sufficient conditions for stochastic stability (almost sure, in the mean, and in probability) of the switched system are established when the subsystems do not possess control inputs, and not every subsystem is required to be stable. These conditions are employed to design stabilizing feedback controllers when the subsystems are affine in control. The analysis is carried out with the aid of multiple Lyapunov-like functions, and the analysis results together with universal formulae for feedback stabilization of nonlinear systems constitute our primary tools for control design
The statistical stability phenomenon
Gorban, Igor I
2017-01-01
This monograph investigates violations of statistical stability of physical events, variables, and processes and develops a new physical-mathematical theory taking into consideration such violations – the theory of hyper-random phenomena. There are five parts. The first describes the phenomenon of statistical stability and its features, and develops methods for detecting violations of statistical stability, in particular when data is limited. The second part presents several examples of real processes of different physical nature and demonstrates the violation of statistical stability over broad observation intervals. The third part outlines the mathematical foundations of the theory of hyper-random phenomena, while the fourth develops the foundations of the mathematical analysis of divergent and many-valued functions. The fifth part contains theoretical and experimental studies of statistical laws where there is violation of statistical stability. The monograph should be of particular interest to engineers...
DEFF Research Database (Denmark)
Cai, Xiao-Xiao; Llamas-Jansa, Isabel; Mullet, Steven
2013-01-01
to reactor modelling. Before version 9.5, Geant4 HP thermal scattering model (i.e. the S(α; β) model ) supports only three bounded isotopes, namely, H in water and polyethylene, and C in graphite. Newly supported materials include D in heavy water, O and Be in beryllium oxide, H and Zr in zirconium hydride......, U and O in uranium dioxide, Al metal, Be metal, and Fe metal. The native HP cross section library G4NDL does not include data for elements with atomic number larger than 92. Therefore, transuranic elements, which have impacts for a realistic reactor, can not be simulated by the combination of the HP...
Preliminary Calculation of Electromagnetic Loads on Vacuum Vessel of HL-2M
Cai, Lijun; Liu, Dequan; Ran, Hong; Li, Jiaxian; Li, Yong; Cao, Zeng
2013-03-01
For a robust design of vacuum vessel of HL-2M, the electromagnetic (EM) loads have to be understood clearly. In this paper, some crucial transient events, such as plasma major disruptions (MDs), vertical displacement events (VDEs), fast discharge of toroidal field (TF) coils, have been investigated to evaluate the eddy currents and EM forces on vacuum vessel and in-vessel components. The results show that the eddy currents depend strongly on the current decay time, and the maximum toroidal eddy current flowing in the whole vessel can reach up to 2.4 MA during MDs that is close to the plasma current. Large symmetric radial forces and a net vertical force on vessel shells could be caused by these transient events. Combination of eddy currents in in-vessel components and toroidal field could twist the copper plates and other internal parts, however, if these plates are supported and connected carefully, the twist moments will not have a big effect on the vessel shells and vessel support.
The role of stabilization centers in protein thermal stability
Energy Technology Data Exchange (ETDEWEB)
Magyar, Csaba [Institute of Enzymology, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar Tudósok krt 2, H-1117 Budapest (Hungary); Gromiha, M. Michael [Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036 (India); Sávoly, Zoltán [Institute of Enzymology, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar Tudósok krt 2, H-1117 Budapest (Hungary); Simon, István, E-mail: simon.istvan@ttk.mta.hu [Institute of Enzymology, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar Tudósok krt 2, H-1117 Budapest (Hungary)
2016-02-26
The definition of stabilization centers was introduced almost two decades ago. They are centers of noncovalent long range interaction clusters, believed to have a role in maintaining the three-dimensional structure of proteins by preventing their decay due to their cooperative long range interactions. Here, this hypothesis is investigated from the viewpoint of thermal stability for the first time, using a large protein thermodynamics database. The positions of amino acids belonging to stabilization centers are correlated with available experimental thermodynamic data on protein thermal stability. Our analysis suggests that stabilization centers, especially solvent exposed ones, do contribute to the thermal stabilization of proteins. - Highlights: • Stabilization centers contribute to thermal stabilization of protein structures. • Stabilization center content correlates with melting temperature of proteins. • Exposed stabilization center content correlates with stability even in hyperthermophiles. • Stability changing mutations are frequently found at stabilization centers.
Closure and Sealing Design Calculation
Energy Technology Data Exchange (ETDEWEB)
T. Lahnalampi; J. Case
2005-08-26
The purpose of the ''Closure and Sealing Design Calculation'' is to illustrate closure and sealing methods for sealing shafts, ramps, and identify boreholes that require sealing in order to limit the potential of water infiltration. In addition, this calculation will provide a description of the magma that can reduce the consequences of an igneous event intersecting the repository. This calculation will also include a listing of the project requirements related to closure and sealing. The scope of this calculation is to: summarize applicable project requirements and codes relating to backfilling nonemplacement openings, removal of uncommitted materials from the subsurface, installation of drip shields, and erecting monuments; compile an inventory of boreholes that are found in the area of the subsurface repository; describe the magma bulkhead feature and location; and include figures for the proposed shaft and ramp seals. The objective of this calculation is to: categorize the boreholes for sealing by depth and proximity to the subsurface repository; develop drawing figures which show the location and geometry for the magma bulkhead; include the shaft seal figures and a proposed construction sequence; and include the ramp seal figure and a proposed construction sequence. The intent of this closure and sealing calculation is to support the License Application by providing a description of the closure and sealing methods for the Safety Analysis Report. The closure and sealing calculation will also provide input for Post Closure Activities by describing the location of the magma bulkhead. This calculation is limited to describing the final configuration of the sealing and backfill systems for the underground area. The methods and procedures used to place the backfill and remove uncommitted materials (such as concrete) from the repository and detailed design of the magma bulkhead will be the subject of separate analyses or calculations. Post
Tang, Qiufan; Fan, Xuezhong; Li, Jizhen; Bi, Fuqiang; Fu, Xiaolong; Zhai, Lianjie
2017-04-05
Although N-methyl-P-nitroaniline (MNA) was a quite effective stabilizer in composite modified double base (CMDB) propellants, it undergoes crystallization easily from nitroglycerin (NG) during storage. In order to improve its solubility in nitroglycerin (NG) and the stability in propellants, several new stabilizers including N-ethyl-p-nitroaniline (ENA), N-n-propyl-p-nitroaniline (n-PNA), N-i-propyl-p-nitroaniline (i-PNA), N-n-butyl-p-nitroaniline (n-BNA) and N-t-butyl-p-nitroaniline (t-BNA) were designed and synthesized to replace MNA by increasing the carbon chain length. The interaction between NG and different stabilizers was simulation by Materials Studio 5.5 and the stability and the high temperature stability performance of those new stabilizers in propellants were calculated by Gaussian 09. It was found that both the solubility of new stabilizers in NG and the stability and the high temperature stability performance of those in propellants were improved when the carbon chain length of substitution groups on nitrogen atom was increased. Thus, the n-BNA was a most potential stabilizer. Then all properties of the stabilizers were studied experimentally, which was agreement well with the theoretical analysis.
Preliminary design and parametric study of 1400 m partially earth-anchored cable-stayed bridge
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
The preliminary design and parametric study of 1400 m partially earth-anchored cable-stayed bridge are described. Static per-formance of this new type of bridge is discussed. Compared with fully self-anchored cable-stayed bridge, its advantages in fin-ished state are summarized. Based on numerical calculation, effects of several structural parameters on static performance are presented.
Overweight and urban pollution: preliminary results.
Ponticiello, Barnaba Giuseppina; Capozzella, Assunta; Di Giorgio, Valeria; Casale, Teodorico; Giubilati, Roberto; Tomei, Gianfranco; Tomei, Francesco; Rosati, Maria Valeria; Sancini, Angela
2015-06-15
The aim of this study is to determine whether in workers exposed to urban pollution the risk of developing overweight and obesity is higher in workers exposed to urban pollution compared to a control group. The study was conducted on 150 volunteers, 75 workers exposed to urban pollution (50 women and 25 men) and 75 indoor workers (50 women and 25 men). Once measured the weight and height and calculated body mass index (BMI) for each worker, the research was based on the comparison, between the two groups, of the mean values of the measurements and of the frequency of workers with BMI index higher than the cut-off of normality. The only statistically significant difference found was for the mean value of weight in women, which was higher among outdoor workers compared to indoor workers. The mean values of BMI and the frequency of workers with BMI higher than normal was higher among outdoor workers compared to indoor workers in both sexes, but not statistically significant. The data suggest that outdoor workers may be subject to an additional risk of developing obesity as a result of exposure to urban air pollution (which, like obesity, is a source of oxidative stress). So, our preliminary study encourages to continue this line of research by implementing the sample and considering all the confounding factors. Furthermore, the results highlight the necessity to take account of gender differences in the context of health surveillance of workers.
Allan Variance Calculation for Nonuniformly Spaced Input Data
2015-01-01
Directorate for Information Operations and Reports (0704-0188), 1215 Jefferson Davis Highway, Suite 1204, Arlington, VA 22202-4302. Respondents should...the device’s output and that is the bias stability. To understand what bias stability is, first bias needs to be defined. Bias is a long-term average...duration seems to be a sufficiently long duration over which to calculate a long-term average (i.e., the bias ). The bias for this data is about 0.15 deg
Directory of Open Access Journals (Sweden)
Desde el jardín de Freud
2014-10-01
Full Text Available Desde el Jardín de Freud se encuentra indexada en el IBN-Publindex (Colciencias, en categoría C, y en Latindex. También se encuentra en las siguientes bases de datos y catálogos: ebsco, Dialnet, Rebiun, Doaj y e-Revistas.
Preliminary ECLSS waste water model
Carter, Donald L.; Holder, Donald W., Jr.; Alexander, Kevin; Shaw, R. G.; Hayase, John K.
1991-01-01
A preliminary waste water model for input to the Space Station Freedom (SSF) Environmental Control and Life Support System (ECLSS) Water Processor (WP) has been generated for design purposes. Data have been compiled from various ECLSS tests and flight sample analyses. A discussion of the characterization of the waste streams comprising the model is presented, along with a discussion of the waste water model and the rationale for the inclusion of contaminants in their respective concentrations. The major objective is to establish a methodology for the development of a waste water model and to present the current state of that model.
Preliminary ECLSS waste water model
Carter, Donald L.; Holder, Donald W., Jr.; Alexander, Kevin; Shaw, R. G.; Hayase, John K.
1991-01-01
A preliminary waste water model for input to the Space Station Freedom (SSF) Environmental Control and Life Support System (ECLSS) Water Processor (WP) has been generated for design purposes. Data have been compiled from various ECLSS tests and flight sample analyses. A discussion of the characterization of the waste streams comprising the model is presented, along with a discussion of the waste water model and the rationale for the inclusion of contaminants in their respective concentrations. The major objective is to establish a methodology for the development of a waste water model and to present the current state of that model.
Practical astronomy with your calculator
Duffett-Smith, Peter
1989-01-01
Practical Astronomy with your Calculator, first published in 1979, has enjoyed immense success. The author's clear and easy to follow routines enable you to solve a variety of practical and recreational problems in astronomy using a scientific calculator. Mathematical complexity is kept firmly in the background, leaving just the elements necessary for swiftly making calculations. The major topics are: time, coordinate systems, the Sun, the planetary system, binary stars, the Moon, and eclipses. In the third edition there are entirely new sections on generalised coordinate transformations, nutr
The Collective Practice of Calculation
DEFF Research Database (Denmark)
Schrøder, Ida
on the idea that professions are hybrids by introducing the notion of qualculation as an entry point to investigate decision-making in child protection work as an extreme case of calculating on the basis of other elements than quantitative numbers. The analysis reveals that it takes both calculation...... and judgement to reach decisions to invest in social services. The line is not drawn between the two, but between the material arrangements that make decisions possible. This implies that the insisting on qualitatively based decisions gives the professionals agency to collectively engage in practical...... arrangements that affords calculations of both qualitative measures of the individual case and distant accounting numbers....
Preliminary design report for OTEC stationkeeping subsystems (SKSS)
Energy Technology Data Exchange (ETDEWEB)
1979-12-12
Lockheed Ocean Systems with IMODCO prepared these preliminary designs for OTEC Stationkeeping Subsystems (SKSS) under contract to NOAA in support of the Department of Energy OTEC program. The results of Tasks III, V, and VI are presented in this design report. The report consists of five sections: introduction, preliminary designs for the multiple anchor leg (MAL) and tension anchor leg (TAL), costs and schedule, and conclusions. Extensive appendixes provide detailed descriptions of design methodology and include backup calculations and data to support the results presented. The objective of this effort is to complete the preliminary designs for the barge-MAL and Spar-TAL SKSS. A set of drawings is provided for each which show arrangements, configuration, component details, engineering description, and deployment plan. Loads analysis, performance assessment, and sensitivity to requirements are presented, together with the methodology employed to analyze the systems and to derive the results presented. Life cycle costs and schedule are prepared and compared on a common basis. Finally, recommendations for the Commercial Plant SKSS are presented for both platform types.
MHD Stability Study of Oblate FRCs
Cone, G. A.; Milroy, R. D.; Kim, C. C.
2009-11-01
The n=1 tilt, interchange, and shift modes of oblate FRC plasmas are simulated using the NIMROD code. The grid geometry approximates the shaped, close-fitting flux conserver used in the Swarthmore Spheromak eXperiment (SSX) oblate FRC studyfootnotetextM. J. Schaffer, M. Brown, C. Cothran, N. Murphy, An oblate FRC concept for SSX, ICC Workshop, College Park, MD, Feb 2007. The results validate the work by Belova et alfootnotetextE. V. Belova, S. C. Jardin, H. Ji, M. Yamada, R. Kulsrud, Numerical study of global stability of oblate field-reversed configurations, Phys. Plasmas, 8(4), 1267 (2001) which characterized important thresholds for these instabilities. The tilt mode changes from an internal mode to an external mode with decreasing FRC elongation, and in the oblate case it can be stabilized with a close-fitting conducting wall. By increasing the edge separatrix pressure for wall-supported FRCs, the growth rate of interchange mode decreases, and complete stabilization is achieved when the separatrix beta exceeds 30%. Simulations of the dynamics of FRC formation from two counter-helicity spheromaks are beginning, and preliminary results will be presented.
Stability analysis of ferrofluids
Directory of Open Access Journals (Sweden)
Katharina Duda
2015-09-01
Full Text Available Superparamagnetic iron oxides (SPIOs are used as tracer for the new imaging technique Magnetic Particle Imaging. The stability of ferrofluids for medical application has a great importance, in addition to the particle size. The shell material, which protects the iron core prior from agglomeration and sedimentation, can be degraded by various processes. Another important aspect of stability is the constant performance of magnetisation. Therefore, the measurement of the magnetisation of the particles must be controlled in order to ensure the stability of the samples.
Radnofsky, M. I.; Barnett, J. H., Jr.; Harrison, F. L.; Marak, R. J. (Inventor)
1973-01-01
An improved life raft stabilizer for reducing rocking and substantially precluding capsizing is discussed. The stabilizer may be removably attached to the raft and is defined by flexible side walls which extend a considerable depth downwardly to one another in the water. The side walls, in conjunction with the floor of the raft, form a ballast enclosure. A weight is placed in the bottom of the enclosure and water port means are provided in the walls. Placement of the stabilizer in the water allows the weighted bottom to sink, producing submerged deployment thereof and permitting water to enter the enclosure through the port means, thus forming a ballast for the raft.
Anderegg, G
2013-01-01
Critical Survey of Stability Constants of EDTA Complexes focuses on the computations, values, and characteristics of stability constants. The book emphasizes that for a critical discussion of experimentally determined stability constants, it is important to consider the precision of the values that manifests the self-consistency of the constant, taking into consideration the random errors. The publication reviews the stability constants of metal complexes. The numerical calculations affirm the reactions and transformations of metal ions when exposed to varying conditions. The text also present
Superconductor stability, 1983: a review
Energy Technology Data Exchange (ETDEWEB)
Dresner, L.
1983-01-01
Three main topics have been discussed in this paper, namely, internally cooled superconductors, cooling by superfluid helium, and metastable magnets. The discussion of each has centered around a dominant idea, and it is fitting to highlight these ideas by way of conclusion. With regard to internally cooled superconductors, most of what we have learned in the last few years centers on the strong motion caused by the thermal expansion of helium. How naive were our early calculations that treated the helium as though it were incompressible. Our discussion of He-II was organized around the Gorter-Mellink relation and the solutions of the nonlinear diffusion equation it gives rise to. And our discussion of metastable magnets revolved around the fruitful concept of the MPZ. These three ideas are sturdy trunks that support much of the thought about superconductor stability that has flowered in the past several years.
Du, B.; Daniels, V.; Crady, C.; Putcha, L.
2011-01-01
This slide presentation reviews preliminary results of the program to evaluate Commercial Off the Shelf (COTS) packaging materials for pharmaceutical stability. The need for improved packaging is due to possible changes in chemical and/or physical properties of the drugs, which cause reported reduced potency and/or altered bioavailability and decreased efficacy.
Understanding stability trends along the lanthanide series.
Regueiro-Figueroa, Martín; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos
2014-04-01
The stability trends across the lanthanide series of complexes with the polyaminocarboxylate ligands TETA(4-) (H4TETA=2,2',2'',2'''-(1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetic acid), BCAED(4-) (H4BCAED=2,2',2'',2'''-{[(1,4-diazepane-1,4-diyl)bis(ethane-2,1-diyl)]bis(azanetriyl)}tetraacetic acid), and BP18C6(2-) (H2BP18C6=6,6'-[(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(methylene)]dipicolinic acid) were investigated using DFT calculations. Geometry optimizations performed at the TPSSh/6-31G(d,p) level, and using a 46+4f(n) ECP for lanthanides, provide bond lengths of the metal coordination environments in good agreement with the experimental values observed in the X-ray structures. The contractions of the Ln(3+) coordination spheres follow quadratic trends, as observed previously for different isostructural series of complexes. We show here that the parameters obtained from the quantitative analysis of these data can be used to rationalize the observed stability trends across the 4f period. The stability trends along the lanthanide series were also evaluated by calculating the free energy for the reaction [La(L)](n+/-)(sol)+Ln(3+)(sol)→[Ln(L)](n+/-)(sol)+La(3+)(sol). A parameterization of the Ln(3+) radii was performed by minimizing the differences between experimental and calculated standard hydration free energies. The calculated stability trends are in good agreement with the experimental stability constants, which increase markedly across the series for BCAED(4-) complexes, increase smoothly for the TETA(4-) analogues, and decrease in the case of BP18C6(2-) complexes. The resulting stability trend is the result of a subtle balance between the increased binding energies of the ligand across the lanthanide series, which contribute to an increasing complex stability, and the increase in the absolute values of hydration energies along the 4f period.
Preliminary Investigation of a Paraglider
Rogallo, Francis M.; Lowry, John G.; Croom, Delwin R.; Taylor, Robert T.
1960-01-01
A preliminary investigation of the aerodynamic and control characteristics of a flexible glider similar to a parachute in construction has been made at the Langley Research Center to evaluate its capabilities as a reentry glider. Preliminary weight estimates of the proposed vehicle indicate that such a structure can be made with extremely low wing loading. Maximum temperatures during the reentry maneuver might be held as low as about 1,500 F. The results of wind-tunnel and free-glide tests show that the glider when constructed of nonporous material performed extremely well at subsonic speeds and could be flown at angles of attack from about 200 to 900. At supersonic speeds the wing showed none of the unfavorable tendencies exhibited by conventional parachutes at these speeds, such as squidding and breathing. Several methods of packing and deploying the glider have been successfully demonstrated. The results of this study indicate that this flexible-lifting-surface concept may provide a lightweight controllable paraglider for manned space vehicles.
Topaz II preliminary safety assessment
Marshall, Albert C.; Standley, Vaughn; Voss, Susan S.; Haskin, Eric
1993-01-01
The Strategic Defense Initiative Organization (SDIO) decided to investigate the possibility of launching a Russian Topaz II space nuclear power system. A preliminary safety assessment was conducted to determine whether or not a space mission could be conducted safely and within budget constraints. As part of this assessment, a safety policy and safety functional requirements were developed to guide both the safety assessment and future Topaz II activities. A review of the Russian flight safety program was conducted and documented. Our preliminary safety assessment included a top level event tree, neutronic analysis of normal and accident configurations, an evaluation of temperature coefficients of reactivity, a reentry and disposal analysis, and analysis of postulated launch abort impact accidents, and an analysis of postulated propellant fire and explosion accidents. Based on the assessment, it appears that it will be possible to safely launch the Topaz II system in the U.S. with some possible system modifications. The principal system modifications will probably include design changes to preclude water flooded criticality and to assure intact reentry.
String instantons, fluxes and moduli stabilization
Camara, P G; Maillard, T; Pradisi, G
2007-01-01
We analyze a class of dual pairs of heterotic and type I models based on freely-acting $\\mathbb{Z}_2 \\times \\mathbb{Z}_2$ orbifolds in four dimensions. Using the adiabatic argument, it is possible to calculate non-perturbative contributions to the gauge coupling threshold corrections on the type I side by exploiting perturbative calculations on the heterotic side, without the drawbacks due to twisted moduli. The instanton effects can then be combined with closed-string fluxes to stabilize most of the moduli fields of the internal manifold, and also the dilaton, in a racetrack realization of the type I model.
Stability analysis of cylindrical Vlasov equilibria
Energy Technology Data Exchange (ETDEWEB)
Short, R.W.
1979-01-01
A general method of stability analysis is described which may be applied to a large class of such problems, namely those which are described dynamically by the Vlasov equation, and geometrically by cylindrical symmetry. The method is presented for the simple case of the Vlasov-Poisson (electrostatic) equations, and the results are applied to a calculation of the lower-hybrid-drift instability in a plasma with a rigid rotor distribution function. The method is extended to the full Vlasov-Maxwell (electromagnetic) equations. These results are applied to a calculation of the instability of the extraordinary electromagnetic mode in a relativistic E-layer interacting with a background plasma.
Subcortical mapping of calculation processing in the right parietal lobe.
Della Puppa, Alessandro; De Pellegrin, Serena; Lazzarini, Anna; Gioffrè, Giorgio; Rustemi, Oriela; Cagnin, Annachiara; Scienza, Renato; Semenza, Carlo
2015-05-01
Preservation of calculation processing in brain surgery is crucial for patients' quality of life. Over the last decade, surgical electrostimulation was used to identify and preserve the cortical areas involved in such processing. Conversely, subcortical connectivity among different areas implicated in this function remains unclear, and the role of surgery in this domain has not been explored so far. The authors present the first 2 cases in which the subcortical functional sites involved in calculation were identified during right parietal lobe surgery. Two patients affected by a glioma located in the right parietal lobe underwent surgery with the aid of MRI neuronavigation. No calculation deficits were detected during preoperative assessment. Cortical and subcortical mapping were performed using a bipolar stimulator. The current intensity was determined by progressively increasing the amplitude by 0.5-mA increments (from a baseline of 1 mA) until a sensorimotor response was elicited. Then, addition and multiplication calculation tasks were administered. Corticectomy was performed according to both the MRI neuronavigation data and the functional findings obtained through cortical mapping. Direct subcortical electrostimulation was repeatedly performed during tumor resection. Subcortical functional sites for multiplication and addition were detected in both patients. Electrostimulation interfered with calculation processing during cortical mapping as well. Functional sites were spared during tumor removal. The postoperative course was uneventful, and calculation processing was preserved. Postoperative MRI showed complete resection of the tumor. The present preliminary study shows for the first time how functional mapping can be a promising method to intraoperatively identify the subcortical functional sites involved in calculation processing. This report therefore supports direct electrical stimulation as a promising tool to improve the current knowledge on
Benchmarking Geant4 for spallation neutron source calculations
DiJulio, Douglas D.; Batkov, Konstantin; Stenander, John; Cherkashyna, Nataliia; Bentley, Phillip M.
2016-09-01
Geant4 is becoming increasingly used for radiation transport simulations of spallation neutron sources and related components. Historically, the code has seen little usage in this field and it is of general interest to investigate the suitability of Geant4 for such applications. For this purpose, we carried out Geant4 calculations based on simple spallation source geometries and also with the the European Spallation Source Technical Design Report target and moderator configuration. The results are compared to calculations performed with the Monte Carlo N- Particle extended code. The comparisons are carried out over the full spallation neutron source energy spectrum, from sub-eV energies up to thousands of MeV. Our preliminary results reveal that there is generally good agreement between the simulations using both codes. Additionally, we have also implemented a general weight-window generator for Geant4 based applications and present some results of the method applied to the ESS target model.
Excited state effects in nucleon matrix element calculations
Energy Technology Data Exchange (ETDEWEB)
Alexandrou, Constantia [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; The Cyprus Institute, Nicosia (Cyprus). Computation-based Science and Technology Research Center; Constantinou, Martha [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Dinter, Simon; Drach, Vincent; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Leontiou, Theodoros [Frederick Univ., Nicosia (Cyprus). General Dept.; Renner, Dru B. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)
2011-12-15
We perform a high-statistics precision calculation of nucleon matrix elements using an open sink method allowing us to explore a wide range of sink-source time separations. In this way the influence of excited states of nucleon matrix elements can be studied. As particular examples we present results for the nucleon axial charge g{sub A} and for the first moment of the isovector unpolarized parton distribution left angle x right angle {sub u-d}. In addition, we report on preliminary results using the generalized eigenvalue method for nucleon matrix elements. All calculations are performed using N{sub f}=2+1+1 maximally twisted mass Wilson fermions. (orig.)
Cohesion energy calculations for ternary ionic novel crystals
Energy Technology Data Exchange (ETDEWEB)
Vazquez P, G.; Cabrera, E. [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, A.P. 20-364, 01000 Mexico D.F. (Mexico); Mijangos, R.R. [Centro de Investigacion en Fisica, Universidad de Sonora, A.P. 5-88, 83190 Hermosillo, Sonora (Mexico); Valdez, E. [Escuela Nacional de Estudios Profesionales Acatlan, Universidad Nacional Autonoma de Mexico, Santa Cruz Acatlan, Naucalpan (Mexico); Duarte, C. [Departamento de Geologia, Universidad de Sonora, 83000 Hermosillo, Sonora (Mexico)
2001-07-01
The present work calculates the value of the link energy of a crystalline ternary structure newly formed by alkali halides. The ternary structure prepared with different concentrations of KCl{sub x}KBrRbCl{sub 2} maintains a very good miscibility and stability. The calculation is based on the use of a generalization of the Vegard law (which generally is valid for binary compounds) for calculating the values of the lattice constant and the repulsive m exponent. The value of the lattice parameter given by X-ray diffractometry agrees with the close approximation of the calculated value of the method used. It also compares the value of energy cohesion obtained by the Born expression with more complex approximations. (Author)
A metallic superhard boron carbide: first-principles calculations.
Ma, Mengdong; Yang, Bingchao; Li, Zihe; Hu, Meng; Wang, Qianqian; Cui, Lin; Yu, Dongli; He, Julong
2015-04-21
A monoclinic BC3 phase (denoted M-BC3) has been predicted using first principles calculations. The M-BC3 structure is formed by alternately stacking sequences of metallic BC-layers and insulating C atom layers, thus, the structure exhibits two-dimensional conductivity. Its stability has been confirmed by our calculations of the total energy, elastic constants, and phonon frequencies. The pressure of phase transition from graphite-like BC3 to M-BC3 is calculated to be 9.3 GPa, and the theoretical Vickers hardness of M-BC3 is 43.8 GPa, this value indicates that the compound is a potentially superhard material. By comparing Raman spectral calculations of M-BC3 and previously proposed structures with the experimental data, we speculate that the experimentally synthesized BC3 crystal may simultaneously contain M-BC3 and Pmma-b phases.
Calculation of Rydberg interaction potentials
Weber, Sebastian; Tresp, Christoph; Menke, Henri; Urvoy, Alban; Firstenberg, Ofer; Büchler, Hans Peter; Hofferberth, Sebastian
2017-07-01
The strong interaction between individual Rydberg atoms provides a powerful tool exploited in an ever-growing range of applications in quantum information science, quantum simulation and ultracold chemistry. One hallmark of the Rydberg interaction is that both its strength and angular dependence can be fine-tuned with great flexibility by choosing appropriate Rydberg states and applying external electric and magnetic fields. More and more experiments are probing this interaction at short atomic distances or with such high precision that perturbative calculations as well as restrictions to the leading dipole-dipole interaction term are no longer sufficient. In this tutorial, we review all relevant aspects of the full calculation of Rydberg interaction potentials. We discuss the derivation of the interaction Hamiltonian from the electrostatic multipole expansion, numerical and analytical methods for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source.
A Romberg Integral Spreadsheet Calculator
Directory of Open Access Journals (Sweden)
Kim Gaik Tay
2015-04-01
Full Text Available Motivated by the work of Richardson’s extrapolation spreadsheet calculator up to level 4 to approximate definite differentiation, we have developed a Romberg integral spreadsheet calculator to approximate definite integral. The main feature of this version of spreadsheet calculator is a friendly graphical user interface developed to capture the needed information to solve the integral by Romberg method. Users simply need to enter the variable in the integral, function to be integrated, lower and upper limits of the integral, select the desired accuracy of computation, select the exact function if it exists and lastly click the Compute button which is associated with VBA programming written to compute Romberg integral table. The full solution of the Romberg integral table up to any level can be obtained quickly and easily using this method. The attached spreadsheet calculator together with this paper helps educators to prepare their marking scheme easily and assist students in checking their answers instead of reconstructing the answers from scratch. A summative evaluation of this Romberg Spreadsheet Calculator has been conducted by involving 36 students as sample. The data was collected using questionnaire. The findings showed that the majority of the students agreed that the Romberg Spreadsheet Calculator provides a structured learning environment that allows learners to be guided through a step-by-step solution.
Spectroscopy of nuclei far from stability
Sheline, R K
1976-01-01
Spherical and deformed shell energies are calculated for both the simple harmonic oscillator and the modified harmonic oscillator. When these shell effects are added to pairing and liquid drop energies, total energies are produced which suggest special stabilities for a number of nuclear regions far from the line of beta stability. The regions discussed are spherical closed shells with emphasis on /sup 132/Sn, new regions of nuclear deformation with emphasis on the neutron deficient Ra's and Th's, /sup 80/Zr, /sup 104/Zr, /sup 202/Rn, and /sup 232/Rn, and coexistence with emphasis on the neutron deficient Gd's, the neutron deficient Ir's and especially the neutron deficient Hg's. The spectroscopy of very high spin states is briefly discussed in terms of decoupled bands, backbending up to spins of approximately 24/sup +/ and of continuum gamma rays depopulating much higher spin states. Calculations relating the very high spin states to nuclear shapes are also presented. (48 refs).
Entanglement on mixed stabilizer states: normal forms and reduction procedures
Energy Technology Data Exchange (ETDEWEB)
Audenaert, Koenraad M R; Plenio, Martin B [Blackett Laboratory, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom); Institute for Mathematical Sciences, Imperial College London, Exhibition Road, London SW7 2BW (United Kingdom)
2005-08-01
The stabilizer formalism allows the efficient description of a sizeable class of pure as well as mixed quantum states of n-qubit systems. That same formalism has important applications in the field of quantum error correcting codes, where mixed stabilizer states correspond to projectors on subspaces associated with stabilizer codes. In this paper, we derive efficient reduction procedures to obtain various useful normal forms for stabilizer states. We explicitly prove that these procedures will always converge to the correct result and that these procedures are efficient in that they only require a polynomial number of operations on the generators of the stabilizers. On one hand, we obtain two single-party normal forms. The first, the row-reduced echelon form, is obtained using only permutations and multiplications of generators. This form is useful to calculate partial traces of stabilizer states. The second is the fully reduced form, where the reduction procedure invokes single-qubit operations and CNOT operations as well. This normal form allows for the efficient calculation of the overlap between two stabilizer states, as well as of the Uhlmann fidelity between them, and their Bures distance. On the other hand, we also find a reduction procedure of bipartite stabilizer states, where the operations involved are restricted to be local ones. The two-party normal form thus obtained lays bare a very simple bipartite entanglement structure of stabilizer states. To wit, we prove that every bipartite mixed stabilizer state is locally equivalent to a direct product of a number of maximally entangled states and, potentially, a separable state. As a consequence, using this normal form we can efficiently calculate every reasonable bipartite entanglement measure of mixed stabilizer states.
Stability in dynamical systems I
Energy Technology Data Exchange (ETDEWEB)
Courant, E.D.; Ruth, R.D.; Weng, W.T.
1984-08-01
We have reviewed some of the basic techniques which can be used to analyze stability in nonlinear dynamical systems, particularly in circular particle accelerators. We have concentrated on one-dimensional systems in the examples in order to simply illustrate the general techniques. We began with a review of Hamiltonian dynamics and canonical transformations. We then reviewed linear equations with periodic coefficients using the basic techniques from accelerator theory. To handle nonlinear terms we developed a canonical perturbation theory. From this we calculated invariants and the amplitude dependence of the frequency. This led us to resonances. We studied the cubic resonance in detail by using a rotating coordinate system in phase space. We then considered a general isolated nonlinear resonance. In this case we calculated the width of the resonance and estimated the spacing of resonances in order to use the Chirikov criterion to restrict the validity of the analysis. Finally the resonance equation was reduced to the pendulum equation, and we examined the motion on a separatrix. This brought us to the beginnings of stochastic behavior in the neighborhood of the separatrix. It is this complex behavior in the neighborhood of the separatrix which causes the perturbation theory used here to diverge in many cases. In spite of this the methods developed here have been and are used quite successfully to study nonlinear effects in nearly integrable systems. When used with caution and in conjunction with numerical work they give tremendous insight into the nature of the phase space structure and the stability of nonlinear differential equations. 14 references.
Liquefaction mathematical analysis for improvement structures stability
Directory of Open Access Journals (Sweden)
Azam Khodashenas Pelko
2010-10-01
Full Text Available The stability of any structure is possible if foundation is appropriately designed. The Bandar abbas is the largest and most important port of Iran, with high seismicity and occurring strong earthquakes in this territory, the soil mechanical properties of different parts of city have been selected as the subject of current research. The data relating to the design of foundation for improvement of structure at different layer of subsoil have been collected and, accordingly, soil mechanical properties have been evaluated. The results of laboratory experiments can be used for evaluation of geotechnical characteristics of urban area for development a region with high level of structural stability. Ultimately, a new method for calculation of liquefaction force is suggested. It is applicable for improving geotechnical and structure codes and also for reanalysis of structure stability of previously constructed buildings.
Metallic alloy stability studies
Firth, G. C.
1983-01-01
The dimensional stability of candidate cryogenic wind tunnel model materials was investigated. Flat specimens of candidate materials were fabricated and cryo-cycled to assess relative dimensional stability. Existing 2-dimensional airfoil models as well as models in various stages of manufacture were also cryo-cycled. The tests indicate that 18 Ni maraging steel offers the greatest dimensional stability and that PH 13-8 Mo stainless steel is the most stable of the stainless steels. Dimensional stability is influenced primarily by metallurgical transformations (austenitic to martensitic) and manufacturing-induced stresses. These factors can be minimized by utilization of stable alloys, refinement of existing manufacturing techniques, and incorporation of new manufacturing technologies.
Basin stability in delayed dynamics
Leng, Siyang; Lin, Wei; Kurths, Jürgen
2016-02-01
Basin stability (BS) is a universal concept for complex systems studies, which focuses on the volume of the basin of attraction instead of the traditional linearization-based approach. It has a lot of applications in real-world systems especially in dynamical systems with a phenomenon of multi-stability, which is even more ubiquitous in delayed dynamics such as the firing neurons, the climatological processes, and the power grids. Due to the infinite dimensional property of the space for the initial values, how to properly define the basin’s volume for delayed dynamics remains a fundamental problem. We propose here a technique which projects the infinite dimensional initial state space to a finite-dimensional Euclidean space by expanding the initial function along with different orthogonal or nonorthogonal basis. A generalized concept of basin’s volume in delayed dynamics and a highly practicable calculating algorithm with a cross-validation procedure are provided to numerically estimate the basin of attraction in delayed dynamics. We show potential applicabilities of this approach by applying it to study several representative systems of biological or/and physical significance, including the delayed Hopfield neuronal model with multistability and delayed complex networks with synchronization dynamics.
Tetraphenylborate Solids Stability Tests
Energy Technology Data Exchange (ETDEWEB)
Walker, D.D. [Westinghouse Savannah River Company, AIKEN, SC (United States)
1997-06-25
Tetraphenylborate solids are a potentially large source of benzene in the slurries produced in the In-Tank Precipitation (ITP) process. The stability of the solids is an important consideration in the safety analysis of the process and we desire an understanding of the factors that influence the rate of conversion of the solids to benzene. This report discusses current testing of the stability of tetraphenylborate solids.
Food Fortification Stability Study
Sirmons, T. A.; Cooper, M. R.; Douglas, G. L.
2017-01-01
This study aimed to assess the stability of vitamin content, sensory acceptability and color variation in fortified spaceflight foods over a period of two years. Findings will help to identify optimal formulation, processing, and storage conditions to maintain stability and acceptability of commercially available fortification nutrients. Changes in food quality were monitored to indicate whether fortification affects quality over time (compared to the unfortified control), thus indicating their potential for use on long-duration missions.
Shearing stability of lubricants
Shiba, Y.; Gijyutsu, G.
1984-01-01
Shearing stabilities of lubricating oils containing a high mol. wt. polymer as a viscosity index improver were studied by use of ultrasound. The oils were degraded by cavitation and the degradation generally followed first order kinetics with the rate of degradation increasing with the intensity of the ultrasonic irradiation and the cumulative energy applied. The shear stability was mainly affected by the mol. wt. of the polymer additive and could be determined in a short time by mechanical shearing with ultrasound.
Shearing stability of lubricants
Energy Technology Data Exchange (ETDEWEB)
Shiba, Y.; Gijyutsu, G.
1984-03-01
Shearing stabilities of lubricating oils containing a high mol. wt. polymer as a viscosity index improver were studied by use of ultrasound. The oils were degraded by cavitation and the degradation generally followed first order kinetics with the rate of degradation increasing with the intensity of the ultrasonic irradiation and the cumulative energy applied. The shear stability was mainly affected by the mol. wt. of the polymer additive and could be determined in a short time by mechanical shearing with ultrasound.
Energy Technology Data Exchange (ETDEWEB)
Aftanas, B.L.
1996-04-30
This Functional Design Criteria (FDC) addresses remediation of the plutonium-bearing solutions currently in inventory at the Plutonium Finishing Plant (PFP). The recommendation from the Environmental Impact Statement (EIS) is that the solutions be treated thermally and stabilized as a solid for long term storage. For solutions which are not discardable, the baseline plan is to utilize a denitration process to stabilize the solutions prior to packaging for storage.
Directory of Open Access Journals (Sweden)
Narcis Eduard Mitu
2013-11-01
Full Text Available Policies or institutions (built into an economic system that automatically tend to dampen economic cycle fluctuations in income, employment, etc., without direct government intervention. For example, in boom times, progressive income tax automatically reduces money supply as incomes and spendings rise. Similarly, in recessionary times, payment of unemployment benefits injects more money in the system and stimulates demand. Also called automatic stabilizers or built-in stabilizers.
METHOD FOR STABILIZING KLYSTRONS
Magnuson, D.W.; Smith, D.F.
1959-04-14
High-frequency oscillators for the generation of microwaves, particularly a system for stabilizing frequency-modulated klystron oscillators of the reflex type, are described. The system takos advantage of the fact that a change in oscillator frequency will alter the normal phase displacement between the cavity and its modulator, creating an error voltage which is utilized to regulate the frequency of the oscillator and stabilize it.
Food Fortification Stability Study
Sirmons, T. A.; Cooper, M. R.; Douglas, G. L.
2016-01-01
This study aims to assess the stability of vitamin content, sensory acceptability and color variation in fortified spaceflight foods over a period of 2 years. Findings will identify optimal formulation, processing, and storage conditions to maintain stability and acceptability of commercially available fortification nutrients. Changes in food quality are being monitored to indicate whether fortification affects quality over time (compared to the unfortified control), thus indicating their potential for use on long-duration missions.
APPLICATION OF APM WINMACHINE SOFTWARE FOR DESIGN AND CALCULATIONS IN MECHANICAL ENGINEERING
Directory of Open Access Journals (Sweden)
L. O. Neduzha
2016-04-01
Full Text Available Purpose.To conduct the research at all stages of design, development, operation, residual operation life determination, namely, preliminary study, action principle choice, design of draft and technical projects, their optimization, preparation of design documentation and control information for automated production, comprehensive engineering analysis, it is required to use the latest computer technologies. Their use can not only present data and information in some way, but also gives the opportunity to effectively and directly interact with the information object that is created or demonstrated. Methodology.To perform engineering calculations associated with the analysis of the strength of machines, mechanisms, constructions one uses both analytical and numerical methods in practice.The most common method for analysing the stress-strain state of object models, obtaining their dynamic and stability characteristics at constant and variable modes of external load is the finite element method, which is implemented in many famous and widespread software products, providing strength calculation of models of machines, mechanisms and structures. Findings.The use of modern software for designing machine parts and various types of their joints and for strength analysis of structures is justified. Colour charts for distribution of stresses, displacement, internal efforts, safety factor and others allow accurate and quick identification of the most dangerous places in the structure. The program also provides an opportunity to «look» inside the elements and see the resulting distribution of internal force factors. Originality.The paper considered the aspects, which are unexplored at present, associated with the current state and prospects of development of industrial production, the use of software package for design and calculations in the mechanical industry. The result of the work is the justification of software application for solving problems that
Mládek, Arnošt; Krepl, Miroslav; Svozil, Daniel; Cech, Petr; Otyepka, Michal; Banáš, Pavel; Zgarbová, Marie; Jurečka, Petr; Sponer, Jiří
2013-05-21
The DNA sugar-phosphate backbone has a substantial influence on the DNA structural dynamics. Structural biology and bioinformatics studies revealed that the DNA backbone in experimental structures samples a wide range of distinct conformational substates, known as rotameric DNA backbone conformational families. Their correct description is essential for methods used to model nucleic acids and is known to be the Achilles heel of force field computations. In this study we report the benchmark database of MP2 calculations extrapolated to the complete basis set of atomic orbitals with aug-cc-pVTZ and aug-cc-pVQZ basis sets, MP2(T,Q), augmented by ΔCCSD(T)/aug-cc-pVDZ corrections. The calculations are performed in the gas phase as well as using a COSMO solvent model. This study includes a complete set of 18 established and biochemically most important families of DNA backbone conformations and several other salient conformations that we identified in experimental structures. We utilize an electronically sufficiently complete DNA sugar-phosphate-sugar (SPS) backbone model system truncated to prevent undesired intramolecular interactions. The calculations are then compared with other QM methods. The BLYP and TPSS functionals supplemented with Grimme's D3(BJ) dispersion term provide the best tradeoff between computational demands and accuracy and can be recommended for preliminary conformational searches as well as calculations on large model systems. Among the tested methods, the best agreement with the benchmark database has been obtained for the double-hybrid DSD-BLYP functional in combination with a quadruple-ζ basis set, which is, however, computationally very demanding. The new hybrid density functionals PW6B95-D3 and MPW1B95-D3 yield outstanding results and even slightly outperform the computationally more demanding PWPB95 double-hybrid functional. B3LYP-D3 is somewhat less accurate compared to the other hybrids. Extrapolated MP2(D,T) calculations are not as
Institute of Scientific and Technical Information of China (English)
陈为坚; 段扬; 林周胜; 李贵涛; 孙鸿涛; 刘燕芳
2015-01-01
目的：基于三维有限元建模方法，建立腰椎弓根动态稳定钉棒系统的模型，初步分析处于不同载荷下腰椎的应力分布及各节段的活动度。方法对一名健康成年男性志愿者行CT扫描，用Mimics 10.01、Abaqus 6.10软件建立正常人L3～S2节段模型。结合Bioflex动态稳定系统建立模型。对模型施加150 N预载荷，在3个主平面施加10 Nm扭矩，获得前屈、后伸、侧屈及旋转6种运动状态下的Bioflex钉棒应力分布和各节段的椎间活动度，初步测定后伸及旋转运动的活动度。结果建立的腰椎L3～S2节段和动态稳定系统有限元模型符合生物力学模型，初步分析显示腰椎动态稳定系统的应力主要集中于螺旋固定棒；在各种加载下，腰椎动态固定的节段活动度明显降低。结论基于三维有限元方法建立的Bioflex腰椎弓动态固定模型能很好地模拟腰椎的动态固定力学活动，可以对固定后的腰椎的应力和各种活动进行很好的模拟，具有很好的研究价值。%Objective To construct the dynamic lumbar pedicle scree system based on the three -dimensional fi-nite element model , thus to preliminarily analyze the stress distribution under different loads and the range of motion (ROM).Methods CT scan of the L3 ~S2 section of a healthy adult male volunteer was performed , while Mimics 10.01 and Abaqus 6.10 software were introduced to establish normal segmental model .Bioflex pedicle screw and elastic rod were used to establish dynamic stability system model .Under 150 N preload, and 10 Nm torque to three principal planes , the stress distribution in flexion , extension , lateral bending and torsion were simulated , while the ROMs of extension and tor-sion were also analyzed .Results The establishment of a lumbar L 3 ~S2 segmental finite element model and the dynamic stability system conformed to biomechanical model .Stress mainly concentrated on the elastic rods , when
Computation of robustly stabilizing PID controllers for interval systems.
Matušů, Radek; Prokop, Roman
2016-01-01
The paper is focused on the computation of all possible robustly stabilizing Proportional-Integral-Derivative (PID) controllers for plants with interval uncertainty. The main idea of the proposed method is based on Tan's (et al.) technique for calculation of (nominally) stabilizing PI and PID controllers or robustly stabilizing PI controllers by means of plotting the stability boundary locus in either P-I plane or P-I-D space. Refinement of the existing method by consideration of 16 segment plants instead of 16 Kharitonov plants provides an elegant and efficient tool for finding all robustly stabilizing PID controllers for an interval system. The validity and relatively effortless application of presented theoretical concepts are demonstrated through a computation and simulation example in which the uncertain mathematical model of an experimental oblique wing aircraft is robustly stabilized.
The Problem of Three Stars: Stability Limit
Valtonen, M.; Mylläri, A.; Orlov, V.; Rubinov, A.
2008-05-01
The problem of three stars arises in many connections in stellar dynamics: three-body scattering drives the evolution of star clusters, and bound triple systems form long-lasting intermediate structures in them. Here we address the question of stability of triple stars. For a given system the stability is easy to determine by numerical orbit calculation. However, we often have only statistical knowledge of some of the parameters of the system. Then one needs a more general analytical formula. Here we start with the analytical calculation of the single encounter between a binary and a single star by Heggie (1975). Using some of the later developments we get a useful expression for the energy change per encounter as a function of the pericenter distance, masses, and relative inclination of the orbit. Then we assume that the orbital energy evolves by random walk in energy space until the accumulated energy change leads to instability. In this way we arrive at a stability limit in pericenter distance of the outer orbit for different mass combinations, outer orbit eccentricities and inclinations. The result is compared with numerical orbit calculations.
23 CFR 645.109 - Preliminary engineering.
2010-04-01
... 23 Highways 1 2010-04-01 2010-04-01 false Preliminary engineering. 645.109 Section 645.109 Highways FEDERAL HIGHWAY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION ENGINEERING AND TRAFFIC OPERATIONS UTILITIES Utility Relocations, Adjustments, and Reimbursement § 645.109 Preliminary engineering. (a) As...
33 CFR 116.10 - Preliminary review.
2010-07-01
... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Preliminary review. 116.10... ALTERATION OF UNREASONABLY OBSTRUCTIVE BRIDGES § 116.10 Preliminary review. (a) Upon receipt of a written complaint, the District Commander will review the complaint to determine if, in the District...
Plutonium Immobilization Can Loading Preliminary Specifications
Energy Technology Data Exchange (ETDEWEB)
Kriikku, E.
1998-11-25
This report discusses the Plutonium Immobilization can loading preliminary equipment specifications and includes a process block diagram, process description, equipment list, preliminary equipment specifications, plan and elevation sketches, and some commercial catalogs. This report identifies loading pucks into cans and backfilling cans with helium as the top priority can loading development areas.
18 CFR 1b.6 - Preliminary investigations.
2010-04-01
... 18 Conservation of Power and Water Resources 1 2010-04-01 2010-04-01 false Preliminary investigations. 1b.6 Section 1b.6 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION, DEPARTMENT OF ENERGY GENERAL RULES RULES RELATING TO INVESTIGATIONS § 1b.6 Preliminary investigations....
Payload isolation and stabilization by a Suspended Experiment Mount (SEM)
Bailey, Wayne L.; Desanctis, Carmine E.; Nicaise, Placide D.; Schultz, David N.
1992-01-01
Many Space Shuttle and Space Station payloads can benefit from isolation from crew or attitude control system disturbances. Preliminary studies have been performed for a Suspended Experiment Mount (SEM) system that will provide isolation from accelerations and stabilize the viewing direction of a payload. The concept consists of a flexible suspension system and payload-mounted control moment gyros. The suspension system, which is rigidly locked for ascent and descent, isolates the payload from high frequency disturbances. The control moment gyros stabilize the payload orientation. The SEM will be useful for payloads that require a lower-g environment than a manned vehicle can provide, such as materials processing, and for payloads that require stabilization of pointing direction, but not large angle slewing, such as nadir-viewing earth observation or solar viewing payloads.
Directory of Open Access Journals (Sweden)
Višňak Jakub
2016-01-01
Full Text Available A brief introduction into computational methodology and preliminary results for spectroscopic (excitation energies, vibrational frequencies in ground and excited electronic states and thermodynamic (stability constants, standard enthalpies and entropies of complexation reactions properties of some 1:1, 1:2 and 1:3 uranyl sulphato- and selenato- complexes in aqueos solutions will be given. The relativistic effects are included via Effective Core Potential (ECP, electron correlation via (TDDFT/B3LYP (dispersion interaction corrected and solvation is described via explicit inclusion of one hydration sphere beyond the coordinated water molecules. We acknowledge limits of this approximate description – more accurate calculations (ranging from semi-phenomenological two-component spin-orbit coupling up to four-component Dirac-Coulomb-Breit hamiltonian and Molecular Dynamics simulations are in preparation. The computational results are compared with the experimental results from Time-resolved Laser-induced Fluorescence Spectroscopy (TRLFS and UV-VIS spectroscopic studies (including our original experimental research on this topic. In case of the TRLFS and UV-VIS speciation studies, the problem of complex solution spectra decomposition into individual components is ill-conditioned and hints from theoretical chemistry could be very important. Qualitative agreement between our quantum chemical calculations of the spectroscopic properties and experimental data was achieved. Possible applications for geochemical modelling (e.g. safety studies of nuclear waste repositories, modelling of a future mining site and analytical chemical studies (including natural samples are discussed.
Višňak, Jakub; Sobek, Lukáš
2016-11-01
A brief introduction into computational methodology and preliminary results for spectroscopic (excitation energies, vibrational frequencies in ground and excited electronic states) and thermodynamic (stability constants, standard enthalpies and entropies of complexation reactions) properties of some 1:1, 1:2 and 1:3 uranyl sulphato- and selenato- complexes in aqueos solutions will be given. The relativistic effects are included via Effective Core Potential (ECP), electron correlation via (TD)DFT/B3LYP (dispersion interaction corrected) and solvation is described via explicit inclusion of one hydration sphere beyond the coordinated water molecules. We acknowledge limits of this approximate description - more accurate calculations (ranging from semi-phenomenological two-component spin-orbit coupling up to four-component Dirac-Coulomb-Breit hamiltonian) and Molecular Dynamics simulations are in preparation. The computational results are compared with the experimental results from Time-resolved Laser-induced Fluorescence Spectroscopy (TRLFS) and UV-VIS spectroscopic studies (including our original experimental research on this topic). In case of the TRLFS and UV-VIS speciation studies, the problem of complex solution spectra decomposition into individual components is ill-conditioned and hints from theoretical chemistry could be very important. Qualitative agreement between our quantum chemical calculations of the spectroscopic properties and experimental data was achieved. Possible applications for geochemical modelling (e.g. safety studies of nuclear waste repositories, modelling of a future mining site) and analytical chemical studies (including natural samples) are discussed.
Longitudinal Stability Study for the FACET-II e^{+} Damping Ring
Energy Technology Data Exchange (ETDEWEB)
Bane, Karl [SLAC National Accelerator Lab., Menlo Park, CA (United States)
2016-11-29
This is an initial study of the longitudinal, single-bunch stability in the proposed FACET-II e^{+} damping ring. It is preliminary because, at present, only a few specific features of the vacuum chamber are known.
Calculation of the Nucleon Axial Form Factor Using Staggered Lattice QCD
Meyer, Aaron S; Kronfeld, Andreas S; Li, Ruizi; Simone, James N
2016-01-01
The nucleon axial form factor is a dominant contribution to errors in neutrino oscillation studies. Lattice QCD calculations can help control theory errors by providing first-principles information on nucleon form factors. In these proceedings, we present preliminary results on a blinded calculation of $g_A$ and the axial form factor using HISQ staggered baryons with 2+1+1 flavors of sea quarks. Calculations are done using physical light quark masses and are absolutely normalized. We discuss fitting form factor data with the model-independent $z$ expansion parametrization.
Project W-320, 241-C-106 sluicing: Civil/structural calculations. Volume 6
Energy Technology Data Exchange (ETDEWEB)
Bailey, J.W.
1998-07-24
This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable. The purpose of this calculation is to conservatively estimate the weight of equipment and structures being added over Tank 241-C-106 as a result of Project W-320 and combine these weights with the estimated weights of existing structures and equipment as calculated in Attachment 1. The combined weights will be compared to the allowable live load limit to provide a preliminary assessment of loading conditions above Tank 241-C-106.
SIMULATE-4 pin power calculations
Energy Technology Data Exchange (ETDEWEB)
Bahadir, T. [Studsvik Scandpower, Inc., 1087 Beacon St., Newton, MA 02459 (United States); Lindahl, S. Oe [Studsvik Scandpower AB, Hantverkargatan 2A, SE-722 12 Vasteraas (Sweden)
2006-07-01
A new pin power reconstruction module has been implemented in Studsvik Scandpower's next generation nodal code, SIMULATE-4. Heterogeneous pin powers are calculated by modulating multi-group pin powers from the sub-mesh solver of SIMULATE-4 with pin form factors from single-assembly CASMO-5 lattice calculations. The multi-group pin power model captures instantaneous spectral effects, and actinide tracking on the assembly sub-mesh describes exposure-induced pin power variations. Model details and verification tests against high order multi-assembly transport methods are presented. The accuracy of the new methods is also demonstrated by comparing SIMULATE-4 calculations with measured critical experiment pin powers. (authors)
Insertion device calculations with mathematica
Energy Technology Data Exchange (ETDEWEB)
Carr, R. [Stanford Synchrotron Radiation Lab., CA (United States); Lidia, S. [Univ. of California, Davis, CA (United States)
1995-02-01
The design of accelerator insertion devices such as wigglers and undulators has usually been aided by numerical modeling on digital computers, using code in high level languages like Fortran. In the present era, there are higher level programming environments like IDL{reg_sign}, MatLab{reg_sign}, and Mathematica{reg_sign} in which these calculations may be performed by writing much less code, and in which standard mathematical techniques are very easily used. The authors present a suite of standard insertion device modeling routines in Mathematica to illustrate the new techniques. These routines include a simple way to generate magnetic fields using blocks of CSEM materials, trajectory solutions from the Lorentz force equations for given magnetic fields, Bessel function calculations of radiation for wigglers and undulators and general radiation calculations for undulators.
MFTF-B performance calculations
Energy Technology Data Exchange (ETDEWEB)
Thomassen, K.I.; Jong, R.A.
1982-12-06
In this report we document the operating scenario models and calculations as they exist and comment on those aspects of the models where performance is sensitive to the assumptions that are made. We also focus on areas where improvements need to be made in the mathematical descriptions of phenomena, work which is in progress. To illustrate the process of calculating performance, and to be very specific in our documentation, part 2 of this report contains the complete equations and sequence of calculations used to determine parameters for the MARS mode of operation in MFTF-B. Values for all variables for a particular set of input parameters are also given there. The point design so described is typical, but should be viewed as a snapshot in time of our ongoing estimations and predictions of performance.
Calculation of the free energy and cooperativity of protein folding.
Directory of Open Access Journals (Sweden)
Alex Kentsis
Full Text Available Calculation of the free energy of protein folding and delineation of its pre-organization are of foremost importance for understanding, predicting and designing biological macromolecules. Here, we introduce an energy smoothing variant of parallel tempering replica exchange Monte Carlo (REMS that allows for efficient configurational sampling of flexible solutes under the conditions of molecular hydration. Its usage to calculate the thermal stability of a model globular protein, Trp cage TC5b, achieves excellent agreement with experimental measurements. We find that the stability of TC5b is attained through the coupled formation of local and non-local interactions. Remarkably, many of these structures persist at high temperature, concomitant with the origin of native-like configurations and mesostates in an otherwise macroscopically disordered unfolded state. Graph manifold learning reveals that the conversion of these mesostates to the native state is structurally heterogeneous, and that the cooperativity of their formation is encoded largely by the unfolded state ensemble. In all, these studies establish the extent of thermodynamic and structural pre-organization of folding of this model globular protein, and achieve the calculation of macromolecular stability ab initio, as required for ab initio structure prediction, genome annotation, and drug design.
KALIMER preliminary conceptual design report
Energy Technology Data Exchange (ETDEWEB)
Hahn, Do Hee; Kim, Y. J.; Kim, Y. G. and others
2000-08-01
This report, which summarizes the result of preliminary conceptual design activities during Phase 1, follows the format of safety analysis report. The purpose of publishing this report is to gather all of the design information developed so far in a systematic way so that KALIMER designers have a common source of the consistent design information necessary for their future design activities. This report will be revised and updated as design changes occur and more detailed design specification is developed during Phase 2. Chapter 1 describes the KALIMER Project. Chapter 2 includes the top level design requirements of KALIMER and general plant description. Chapter 3 summarizes the design of structures, components, equipment and systems. Specific systems and safety analysis results are described in the remaining chapters. Appendix on the HCDA evaluation is attached at the end of this report.
Stability evaluation of organic Lip Balm
Directory of Open Access Journals (Sweden)
Alessandra Ribeiro Fernandes
2013-06-01
Full Text Available Rising global demand for natural products whose production is harmless to the environment has stimulated the development of natural cosmetics and, within this category, organics (95% organic raw materials. The image of environmentally friendly production is one of the strongest attractions of organic products. Lip balm is a cosmetic product similar to lipstick whose purpose is to prevent lip dryness and protect against adverse environmental factors. The product's characteristics are: resistance to temperature variations, pleasant flavor, innocuousness, smoothness during application, adherence and easy intentional removal. This work involved the development of a lip balm formulated with certified organic raw materials and the execution of stability tests: fusion point determination, evaluation of organoleptic characteristics (color, odor and appearance and functionality evaluation (spreadability test. The formulation selected after the Preliminary Stability Test was submitted to the Normal Stability Test under the following storage conditions (temperature: Room Temperature (22.0 ± 3.0 ºC, Oven (40.0 ± 2.0 ºC and Refrigerator (5.0 ± 1.0 ºC, for 90 days. Under the Refrigerator and Room Temperature conditions, spreadability proved adequate, but the surface presented white spots, characterizing the fat bloom, a phenomenon involving the recrystallization of cocoa butter. Storage at 40.0 ± 2.0 ºC (Oven caused loss of functionality according to the spreadability test, in addition to changes in color, although the aspect was uniform since the fat bloom was not observed (white spots on the surface. The odor remained stable under all conditions as did the melting point, which had a mean of 72.9 ± 1.7 ºC throughout the course of stability testing (90 days.