WorldWideScience

Sample records for material model formulation

  1. An anisotropic elastoplastic constitutive formulation generalised for orthotropic materials

    Science.gov (United States)

    Mohd Nor, M. K.; Ma'at, N.; Ho, C. S.

    2018-03-01

    This paper presents a finite strain constitutive model to predict a complex elastoplastic deformation behaviour that involves very high pressures and shockwaves in orthotropic materials using an anisotropic Hill's yield criterion by means of the evolving structural tensors. The yield surface of this hyperelastic-plastic constitutive model is aligned uniquely within the principal stress space due to the combination of Mandel stress tensor and a new generalised orthotropic pressure. The formulation is developed in the isoclinic configuration and allows for a unique treatment for elastic and plastic orthotropy. An isotropic hardening is adopted to define the evolution of plastic orthotropy. The important feature of the proposed hyperelastic-plastic constitutive model is the introduction of anisotropic effect in the Mie-Gruneisen equation of state (EOS). The formulation is further combined with Grady spall failure model to predict spall failure in the materials. The proposed constitutive model is implemented as a new material model in the Lawrence Livermore National Laboratory (LLNL)-DYNA3D code of UTHM's version, named Material Type 92 (Mat92). The combination of the proposed stress tensor decomposition and the Mie-Gruneisen EOS requires some modifications in the code to reflect the formulation of the generalised orthotropic pressure. The validation approach is also presented in this paper for guidance purpose. The \\varvec{ψ} tensor used to define the alignment of the adopted yield surface is first validated. This is continued with an internal validation related to elastic isotropic, elastic orthotropic and elastic-plastic orthotropic of the proposed formulation before a comparison against range of plate impact test data at 234, 450 and {895 ms}^{-1} impact velocities is performed. A good agreement is obtained in each test.

  2. Updated Lagrangian finite element formulations of various biological soft tissue non-linear material models: a comprehensive procedure and review.

    Science.gov (United States)

    Townsend, Molly T; Sarigul-Klijn, Nesrin

    2016-01-01

    Simplified material models are commonly used in computational simulation of biological soft tissue as an approximation of the complicated material response and to minimize computational resources. However, the simulation of complex loadings, such as long-duration tissue swelling, necessitates complex models that are not easy to formulate. This paper strives to offer the updated Lagrangian formulation comprehensive procedure of various non-linear material models for the application of finite element analysis of biological soft tissues including a definition of the Cauchy stress and the spatial tangential stiffness. The relationships between water content, osmotic pressure, ionic concentration and the pore pressure stress of the tissue are discussed with the merits of these models and their applications.

  3. Formulation and computational aspects of plasticity and damage models with application to quasi-brittle materials

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Z.; Schreyer, H.L. [New Mexico Engineering Research Institute, Albuquerque, NM (United States)

    1995-09-01

    The response of underground structures and transportation facilities under various external loadings and environments is critical for human safety as well as environmental protection. Since quasi-brittle materials such as concrete and rock are commonly used for underground construction, the constitutive modeling of these engineering materials, including post-limit behaviors, is one of the most important aspects in safety assessment. From experimental, theoretical, and computational points of view, this report considers the constitutive modeling of quasi-brittle materials in general and concentrates on concrete in particular. Based on the internal variable theory of thermodynamics, the general formulations of plasticity and damage models are given to simulate two distinct modes of microstructural changes, inelastic flow and degradation of material strength and stiffness, that identify the phenomenological nonlinear behaviors of quasi-brittle materials. The computational aspects of plasticity and damage models are explored with respect to their effects on structural analyses. Specific constitutive models are then developed in a systematic manner according to the degree of completeness. A comprehensive literature survey is made to provide the up-to-date information on prediction of structural failures, which can serve as a reference for future research.

  4. High-Level Waste Glass Formulation Model Sensitivity Study 2009 Glass Formulation Model Versus 1996 Glass Formulation Model

    International Nuclear Information System (INIS)

    Belsher, J.D.; Meinert, F.L.

    2009-01-01

    This document presents the differences between two HLW glass formulation models (GFM): The 1996 GFM and 2009 GFM. A glass formulation model is a collection of glass property correlations and associated limits, as well as model validity and solubility constraints; it uses the pretreated HLW feed composition to predict the amount and composition of glass forming additives necessary to produce acceptable HLW glass. The 2009 GFM presented in this report was constructed as a nonlinear optimization calculation based on updated glass property data and solubility limits described in PNNL-18501 (2009). Key mission drivers such as the total mass of HLW glass and waste oxide loading are compared between the two glass formulation models. In addition, a sensitivity study was performed within the 2009 GFM to determine the effect of relaxing various constraints on the predicted mass of the HLW glass.

  5. Materials Analysis and Modeling of Underfill Materials.

    Energy Technology Data Exchange (ETDEWEB)

    Wyatt, Nicholas B [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Chambers, Robert S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-08-01

    The thermal-mechanical properties of three potential underfill candidate materials for PBGA applications are characterized and reported. Two of the materials are a formulations developed at Sandia for underfill applications while the third is a commercial product that utilizes a snap-cure chemistry to drastically reduce cure time. Viscoelastic models were calibrated and fit using the property data collected for one of the Sandia formulated materials. Along with the thermal-mechanical analyses performed, a series of simple bi-material strip tests were conducted to comparatively analyze the relative effects of cure and thermal shrinkage amongst the materials under consideration. Finally, current knowledge gaps as well as questions arising from the present study are identified and a path forward presented.

  6. Formulating Fermat's principle for light traveling in negative refraction materials

    International Nuclear Information System (INIS)

    Veselago, Viktor G

    2002-01-01

    The formulation of Fermat's principle for electromagnetic waves traveling in materials with a negative refractive index is refined. It is shown that a formulation in terms of the minimum (or extremum) of wave travel time between two points is not correct in general. The correct formulation involves the extremum of the total optical length, with the optical length for the wave propagation through left-handed materials taken to be negative. (methodological notes)

  7. Some new high energy materials and their formulations for specialized applications

    Energy Technology Data Exchange (ETDEWEB)

    Agrawal, Jai Prakash [Directorate of Materials, DRDO HQrs, ' B' Wing, Sena Bhavan, New Delhi - 110 011 (India)

    2005-10-01

    Energetic materials form an integral part of most weapon systems and a large number of new high-energy materials: thermally stable explosives, high-performance explosives, melt-castable explosives, insensitive high explosives and energetic binders have been reported in the literature in recent years. Some explosive formulations based on these new energetic materials are also vaguely reported. This paper examines these materials and their formulations from the point of view of stability, reliability, safety and specific applications. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  8. An optimization model for transportation of hazardous materials

    International Nuclear Information System (INIS)

    Seyed-Hosseini, M.; Kheirkhah, A. S.

    2005-01-01

    In this paper, the optimal routing problem for transportation of hazardous materials is studied. Routing for the purpose of reducing the risk of transportation of hazardous materials has been studied and formulated by many researcher and several routing models have been presented up to now. These models can be classified into the categories: the models for routing a single movement and the models for routing multiple movements. In this paper, according to the current rules and regulations of road transportations of hazardous materials in Iran, a routing problem is designed. In this problem, the routs for several independent movements are simultaneously determined. To examine the model, the problem the transportations of two different dangerous materials in the road network of Mazandaran province in the north of Iran is formulated and solved by applying Integer programming model

  9. Modification of Concrete Damaged Plasticity model. Part II: Formulation and numerical tests

    Directory of Open Access Journals (Sweden)

    Kamińska Inez

    2017-01-01

    Full Text Available A refined model for elastoplastic damaged material is formulated based on the plastic potential introduced in Part I [1]. Considered model is an extension of Concrete Damaged Plasticity material implemented in Abaqus [2]. In the paper the stiffness tensor for elastoplastic damaged behaviour is derived. In order to validate the model, computations for the uniaxial tests are performed. Response of the model for various cases of parameter’s choice is shown and compared to the response of the CDP model.

  10. Superspace formulation of new nonlinear sigma models

    International Nuclear Information System (INIS)

    Gates, S.J. Jr.

    1983-07-01

    The superspace formulation of two classes of supersymmetric nonlinear σ-models are presented. Two alternative N=1 superspace formulations are given for the d=2 supersymmetric nonlinear σ-models with Killing vector potentials: (a) formulation uses an active central charge and, (b) formulation uses a spurion superfield without inducing a classical breakdown of supersymmetry. The N=2 vector multiplet is used to construct a new class of d=4 nonlinear σ-models which when reduced to d=2 possess N=4 supersymmetry. Implications of these two classes of nonlinear σ-models for N>=4 superfield supergravity are discussed. (author)

  11. A 3D Orthotropic Elastic Continuum Damage Material Model

    Energy Technology Data Exchange (ETDEWEB)

    English, Shawn Allen [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Brown, Arthur A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2013-08-01

    A three dimensional orthotropic elastic constitutive model with continuum damage is implemented for polymer matrix composite lamina. Damage evolves based on a quadratic homogeneous function of thermodynamic forces in the orthotropic planes. A small strain formulation is used to assess damage. In order to account for large deformations, a Kirchhoff material formulation is implemented and coded for numerical simulation in Sandia’s Sierra Finite Element code suite. The theoretical formulation is described in detail. An example of material parameter determination is given and an example is presented.

  12. Use of a new borate raw material for glaze formulation

    International Nuclear Information System (INIS)

    Gomez-Tena, M. P.; Moreno, A.; Bou, E.; Cook, S.; Galindo, M.

    2010-01-01

    The Rio Tinto Minerals company has developed a new borate (E-4972), which can be used in glaze formulation (patent WO 2007/148101). This new borate, synthesised by low-temperature calcination, fundamentally contributes five oxides: silicon oxide (SiO 2 ), aluminium oxide (Al 2 O 3 ), boron oxide (B 2 O 3 ), calcium oxide (CaO), and sodium oxide (Na 2 O), its content in B 2 O 3 being between 10 and 11% by weight. It is largely amorphous, and quartz is the major crystalline phase present. The characteristics of this new borate, such as its low solubility and ability readily to form glassy phase, enable it to be used as a raw material in glaze compositions. Its suitability for glaze formulation has been the result of several years research in collaboration with the Instituto de Tecnologia Ceramica. In this paper, the feasibility has been studied of fabricating ceramic glazes by using a new synthetic borate raw material that contributes boron to the glaze composition without this needing to be done in fritted form. It has been possible to obtain fired glazes with similar technical and aesthetics characteristics to those obtained from industrial glaze compositions that contain typical frits in their compositions, thus enabling glazes to be formulated by using the new synthetic boron raw material. The results obtained show that this new raw material (E-4972) is particularly appropriate for use in producing glazes with low gloss at high temperature. (Author) 15 refs.

  13. Improved Formulations for Air-Surface Exchanges Related to National Security Needs: Dry Deposition Models

    Energy Technology Data Exchange (ETDEWEB)

    Droppo, James G.

    2006-07-01

    The Department of Homeland Security and others rely on results from atmospheric dispersion models for threat evaluation, event management, and post-event analyses. The ability to simulate dry deposition rates is a crucial part of our emergency preparedness capabilities. Deposited materials pose potential hazards from radioactive shine, inhalation, and ingestion pathways. A reliable characterization of these potential exposures is critical for management and mitigation of these hazards. A review of the current status of dry deposition formulations used in these atmospheric dispersion models was conducted. The formulations for dry deposition of particulate materials from am event such as a radiological attack involving a Radiological Detonation Device (RDD) is considered. The results of this effort are applicable to current emergency preparedness capabilities such as are deployed in the Interagency Modeling and Atmospheric Assessment Center (IMAAC), other similar national/regional emergency response systems, and standalone emergency response models. The review concludes that dry deposition formulations need to consider the full range of particle sizes including: 1) the accumulation mode range (0.1 to 1 micron diameter) and its minimum in deposition velocity, 2) smaller particles (less than .01 micron diameter) deposited mainly by molecular diffusion, 3) 10 to 50 micron diameter particles deposited mainly by impaction and gravitational settling, and 4) larger particles (greater than 100 micron diameter) deposited mainly by gravitational settling. The effects of the local turbulence intensity, particle characteristics, and surface element properties must also be addressed in the formulations. Specific areas for improvements in the dry deposition formulations are 1) capability of simulating near-field dry deposition patterns, 2) capability of addressing the full range of potential particle properties, 3) incorporation of particle surface retention/rebound processes, and

  14. Aggregate material formulated with MSWI bottom ash and APC fly ash for use as secondary building material

    International Nuclear Information System (INIS)

    Valle-Zermeño, R. del; Formosa, J.; Chimenos, J.M.; Martínez, M.; Fernández, A.I.

    2013-01-01

    Highlights: ► A concrete formulation was optimized using Bottom Ash and APC ash. ► 10% of APC ash achieves good compromise between economic and performance aspects. ► The crushed concrete was evaluated as secondary building granular material. ► The environmental behavior allows its use as secondary material. ► The abrasion resistance is not good enough for its use as a road sub-base material. - Abstract: The main goal of this paper is to obtain a granular material formulated with Municipal Solid Waste Incineration (MSWI) bottom ash (BA) and air pollution control (APC) fly ash to be used as secondary building material. Previously, an optimum concrete mixture using both MSWI residues as aggregates was formulated. A compromise between the environmental behavior whilst maximizing the reuse of APC fly ash was considered and assessed. Unconfined compressive strength and abrasion resistance values were measured in order to evaluate the mechanical properties. From these results, the granular mixture was not suited for certain applications owing to the high BA/APC fly ash content and low cement percentages used to reduce the costs of the final product. Nevertheless, the leaching test performed showed that the concentrations of all heavy metals were below the limits established by the current Catalan legislation for their reutilization. Therefore, the material studied might be mainly used in embankments, where high mechanical properties are not needed and environmental safety is assured

  15. Generalized continua as models for classical and advanced materials

    CERN Document Server

    Forest, Samuel

    2016-01-01

    This volume is devoted to an actual topic which is the focus world-wide of various research groups. It contains contributions describing the material behavior on different scales, new existence and uniqueness theorems, the formulation of constitutive equations for advanced materials. The main emphasis of the contributions is directed on the following items - Modelling and simulation of natural and artificial materials with significant microstructure, - Generalized continua as a result of multi-scale models, - Multi-field actions on materials resulting in generalized material models, - Theories including higher gradients, and - Comparison with discrete modelling approaches.

  16. IRIS Assessment Plan for Uranium (Scoping and Problem Formulation Materials)

    Science.gov (United States)

    In January 2018, EPA released the IRIS Assessment Plan for Uranium (Oral Reference Dose) (Scoping and Problem Formulation Materials). An IRIS Assessment Plan (IAP) communicates to the public the plan for assessing each individual chemical and includes summary informatio...

  17. Finite strain formulation of viscoelastic damage model for simulation of fabric reinforced polymers under dynamic loading

    Directory of Open Access Journals (Sweden)

    Treutenaere S.

    2015-01-01

    Full Text Available The use of fabric reinforced polymers in the automotive industry is growing significantly. The high specific stiffness and strength, the ease of shaping as well as the great impact performance of these materials widely encourage their diffusion. The present model increases the predictability of explicit finite element analysis and push the boundaries of the ongoing phenomenological model. Carbon fibre composites made up various preforms were tested by applying different mechanical load up to dynamic loading. This experimental campaign highlighted the physical mechanisms affecting the initial mechanical properties, namely intra- and interlaminar matrix damage, viscoelasticty and fibre failure. The intralaminar behaviour model is based on the explicit formulation of the matrix damage model developed by the ONERA as the given damage formulation correlates with the experimental observation. Coupling with a Maxwell-Wiechert model, the viscoelasticity is included without losing the direct explicit formulation. Additionally, the model is formulated under a total Lagrangian scheme in order to maintain consistency for finite strain. Thus, the material frame-indifference as well as anisotropy are ensured. This allows reorientation of fibres to be taken into account particularly for in-plane shear loading. Moreover, fall within the framework of the total Lagrangian scheme greatly makes the parameter identification easier, as based on the initial configuration. This intralaminar model thus relies upon a physical description of the behaviour of fabric composites and the numerical simulations show a good correlation with the experimental results.

  18. Investigation of Lipid Oxidation in the Raw Materials of a Topical Skin Formulation: A Topical Skin Formulation Containing a High Lipid Content

    DEFF Research Database (Denmark)

    Thomsen, Birgitte Raagaard; Taylor, Richard; Madsen, Robert

    2018-01-01

    Several studies have demonstrated that lipid oxidation often occurs in topical skin formulations which can affect product odor (both positively and negatively). Furthermore, odor detection threshold values and odor descriptors of identified volatile oxidation products in cleansing and skin cream...... formulation prototypes were recently determined by a trained sensory panel at the Technical University of Denmark in the Division of Food Technology. In this study, we investigated lipid oxidation in a prototype skin cream formulation as well as in selected cosmetic skin care raw materials. Lipid oxidation...... was also identified. In addition, the concentrations of several well-known lipid oxidation products increased during storage and were suggested to originate primarily from rice bran wax, which oxidized more readily than other raw materials due to its unsaturated nature....

  19. Viability of calcifying bacterial formulations in fly ash for applications in building materials.

    Science.gov (United States)

    Dhami, Navdeep Kaur; Mukherjee, Abhijit; Reddy, M Sudhakara

    2013-12-01

    Evidence of bacterial involvement in precipitation of calcium carbonates has brought a revolution in the field of applied microbiology, geotechnical sciences, environmental and civil engineering with its marked success in restoration of various building materials. For applications of these calcite binder-producing bacterial cultures, different expensive carrier materials have been used but their high costs have come in the way of their successful commercialization. In the present study, we have explored the potential of cheap industrial by-product fly ash as a carrier material for bacterial cells and investigated the viability of calcifying bacterial isolates: Bacillus megaterium, Bacillus cereus, and Lysinibacillus fusiformis in fly ash carrier at varying temperatures and moisture conditions along with biomineralization efficacy of these formulations. We used laser scanning confocal microscopy to analyze the viability of bacteria by florescent dye 5-cyano-2,3-ditolyl tetrazolium chloride (CTC) along with the plate count method. Results revealed that fly ash successfully served as an effective carrier material and bacterial formulations stored at 4 °C provided longer shelf life than those stored at higher temperatures. Up to 10(6) cfu/g was found to sustain in all formulations at 4 °C compared to 10(4)-10(5) cfu/g in case of higher temperatures up to 1 year. For 4 °C, higher moistures (50 %) were found to provide better survivability while for higher temperatures, lower moistures (30 %) favored higher viability. The biomineralization capability of fresh and formulated bacterial cells was compared on the basis of precipitation of carbonates and it was found that carbonate precipitation efficacy of formulated bacterial cells was comparable to fresh bacterial cells.

  20. Flexible Multibody Systems Models Using Composite Materials Components

    International Nuclear Information System (INIS)

    Neto, Maria Augusta; Ambr'osio, Jorge A. C.; Leal, Rog'erio Pereira

    2004-01-01

    The use of a multibody methodology to describe the large motion of complex systems that experience structural deformations enables to represent the complete system motion, the relative kinematics between the components involved, the deformation of the structural members and the inertia coupling between the large rigid body motion and the system elastodynamics. In this work, the flexible multibody dynamics formulations of complex models are extended to include elastic components made of composite materials, which may be laminated and anisotropic. The deformation of any structural member must be elastic and linear, when described in a coordinate frame fixed to one or more material points of its domain, regardless of the complexity of its geometry. To achieve the proposed flexible multibody formulation, a finite element model for each flexible body is used. For the beam composite material elements, the sections properties are found using an asymptotic procedure that involves a two-dimensional finite element analysis of their cross-section. The equations of motion of the flexible multibody system are solved using an augmented Lagrangian formulation and the accelerations and velocities are integrated in time using a multi-step multi-order integration algorithm based on the Gear method

  1. Magnetic materials and 3D finite element modeling

    CERN Document Server

    Bastos, Joao Pedro A

    2014-01-01

    Magnetic Materials and 3D Finite Element Modeling explores material characterization and finite element modeling (FEM) applications. This book relates to electromagnetic analysis based on Maxwell’s equations and application of the finite element (FE) method to low frequency devices. A great source for senior undergraduate and graduate students in electromagnetics, it also supports industry professionals working in magnetics, electromagnetics, ferromagnetic materials science and electrical engineering. The authors present current concepts on ferromagnetic material characterizations and losses. They provide introductory material; highlight basic electromagnetics, present experimental and numerical modeling related to losses and focus on FEM applied to 3D applications. They also explain various formulations, and discuss numerical codes.

  2. Modeling of materials supply, demand and prices

    Science.gov (United States)

    1982-01-01

    The societal, economic, and policy tradeoffs associated with materials processing and utilization, are discussed. The materials system provides the materials engineer with the system analysis required for formulate sound materials processing, utilization, and resource development policies and strategies. Materials system simulation and modeling research program including assessments of materials substitution dynamics, public policy implications, and materials process economics was expanded. This effort includes several collaborative programs with materials engineers, economists, and policy analysts. The technical and socioeconomic issues of materials recycling, input-output analysis, and technological change and productivity are examined. The major thrust areas in materials systems research are outlined.

  3. A Sorption Hysteresis Model For Cellulosic Materials

    DEFF Research Database (Denmark)

    Frandsen, Henrik Lund; Damkilde, Lars

    2006-01-01

    The equilibrium concentration of adsorbed water in cellulosic materials is dependent on the history of the variations of vapor pressure in the ambient air, i.e. sorption hysteresis. Existing models to describe this phenomenon such as the independent domain theory have numerical drawbacks and....../or imply accounting for the entire history variations of every material point. This paper presents a sorption hysteresis model based on a state formulation and expressed in closed-form solutions, which makes it suitable for implementation into a numerical method....

  4. Elastoplastic cup model for cement-based materials

    Directory of Open Access Journals (Sweden)

    Yan Zhang

    2010-03-01

    Full Text Available Based on experimental data obtained from triaxial tests and a hydrostatic test, a cup model was formulated. Two plastic mechanisms, respectively a deviatoric shearing and a pore collapse, are taken into account. This model also considers the influence of confining pressure. In this paper, the calibration of the model is detailed and numerical simulations of the main mechanical behavior of cement paste over a large range of stress are described, showing good agreement with experimental results. The case study shows that this cup model has extensive applicability for cement-based materials and other quasi-brittle and high-porosity materials in a complex stress state.

  5. Quaternionic formulation of the exact parity model

    Energy Technology Data Exchange (ETDEWEB)

    Brumby, S.P.; Foot, R.; Volkas, R.R.

    1996-02-28

    The exact parity model (EPM) is a simple extension of the standard model which reinstates parity invariance as an unbroken symmetry of nature. The mirror matter sector of the model can interact with ordinary matter through gauge boson mixing, Higgs boson mixing and, if neutrinos are massive, through neutrino mixing. The last effect has experimental support through the observed solar and atmospheric neutrino anomalies. In the paper it is shown that the exact parity model can be formulated in a quaternionic framework. This suggests that the idea of mirror matter and exact parity may have profound implications for the mathematical formulation of quantum theory. 13 refs.

  6. Quaternionic formulation of the exact parity model

    International Nuclear Information System (INIS)

    Brumby, S.P.; Foot, R.; Volkas, R.R.

    1996-01-01

    The exact parity model (EPM) is a simple extension of the standard model which reinstates parity invariance as an unbroken symmetry of nature. The mirror matter sector of the model can interact with ordinary matter through gauge boson mixing, Higgs boson mixing and, if neutrinos are massive, through neutrino mixing. The last effect has experimental support through the observed solar and atmospheric neutrino anomalies. In the paper it is shown that the exact parity model can be formulated in a quaternionic framework. This suggests that the idea of mirror matter and exact parity may have profound implications for the mathematical formulation of quantum theory. 13 refs

  7. Material transport through porous media: a finite-element Galerkin model

    International Nuclear Information System (INIS)

    Duguid, J.O.; Reeves, M.

    1976-03-01

    A two-dimensional transient model for flow of a dissolved constituent through porous media has been developed. Mechanisms for advective transport, hydrodynamic dispersion, chemical absorption, and radioactive decay are included in the mathematical formulation. Implementations of quadrilateral finite elements, bilinear spatial interpolation, and Gaussian elimination are used in the numerical formulation. The programming language FORTRAN IV is used exclusively in the computer implementation. A listing of the program is included. This material-transport model is completely compatible with our moisture-transport model (Reeves and Duguid, 1975) for predicting advective Darcy velocities for porous media which may be partly unsaturated. In addition to a description of the mathematical formulation, the numerical treatment and the computer implementation results of two computer simulations are included in this document. One is a comparison with a well-known analytical treatment (Lapidus and Amundson, 1952) and is intended as a partial validation. The other simulation, a seepage-pond problem, is a more realistic demonstration of the capabilities of the computer model. Complete listings of input and output are given in the appendices so that this simulation may be used for check-out purposes. A comprehensive description of the material-transport computer model is given

  8. Lithium-ion battery capacity fading dynamics modelling for formulation optimization: A stochastic approach to accelerate the design process

    International Nuclear Information System (INIS)

    Tao, Laifa; Cheng, Yujie; Lu, Chen; Su, Yuzhuan; Chong, Jin; Jin, Haizu; Lin, Yongshou; Noktehdan, Azadeh

    2017-01-01

    Highlights: •The model is linked to known physicochemical degradation processes and material properties. •Aging dynamics of various battery formulations can be understood by the proposed model. •Large number of experiments will be reduced to accelerate the battery design process. •This approach can describe batteries under various operating conditions. •The proposed model is simple and easily implemented. -- Abstract: A five-state nonhomogeneous Markov chain model, which is an effective and promising way to accelerate the Li-ion battery design process by investigating the capacity fading dynamics of different formulations during the battery design phase, is reported. The parameters of this model are linked to known physicochemical degradation dynamics and material properties. Herein, the states and behaviors of the active materials in Li-ion batteries are modelled. To verify the efficiency of the proposed model, a dataset from approximately 3 years of cycling capacity fading experiments of various formulations using several different materials provided by Contemporary Amperex Technology Limited (CATL), as well as a NASA dataset, are employed. The capabilities of the proposed model for different amounts (50%, 70%, and 90%) of available experimental capacity data are tested and analyzed to assist with the final design determination for manufacturers. The average relative errors of life cycling prediction acquired from these tests are less than 2.4%, 0.8%, and 0.3%, even when only 50%, 70%, and 90% of the data, respectively, is available for different anode materials, electrolyte materials, and individual batteries. Furthermore, the variance is 0.518% when only 50% of the data are available; i.e., one can save at least 50% of the total experimental time and cost with an accuracy greater than 97% in the design phase, which demonstrates an effective and promising way to accelerate the Li-ion battery design process. The qualitative and quantitative analyses

  9. Traceability System Model for Quality Gelatin Raw Material of Cattle Hides

    Directory of Open Access Journals (Sweden)

    S Nur

    2010-09-01

    Full Text Available Several criteria must be accomplished within the provision of quality products in terms of the types of materials, the processing methods and effort to get it. Traceability system involves various parties that have different needs and goals in the process of supplying raw materials. Hence, there is a need for institutional systems engineering that can organize and manage the tracking process, the procurement of raw materials that guarantee the origin of gelatin raw materials, and facilitate the industry and customer to create a standardized quality of product. The purpose of the study formulates the institutional tracking models of gelatin raw material from cattle hide based on various criteria and assessment of the expert opinion. The methods used in this study were Interpretative structural modeling to formulate a representation of institutional tracking efficiently and analytical hierarchy process to determine the tracking strategy of industrial gelatin raw materials from cowhide. The results obtained from the study were some key elements of institutional tracking model for industrial gelatin raw materials from cowhide and the traceability strategies for industrial raw materials from cattle hide gelatin Indonesia. (Animal Production 12(3: 190-198 (2010 Key Words: traceability, institutional model, cattle hide, gelatin

  10. Maintenance modeling and optimization integrating human and material resources

    International Nuclear Information System (INIS)

    Martorell, S.; Villamizar, M.; Carlos, S.; Sanchez, A.

    2010-01-01

    Maintenance planning is a subject of concern to many industrial sectors as plant safety and business depend on it. Traditionally, the maintenance planning is formulated in terms of a multi-objective optimization (MOP) problem where reliability, availability, maintainability and cost (RAM+C) act as decision criteria and maintenance strategies (i.e. maintenance tasks intervals) act as the only decision variables. However the appropriate development of each maintenance strategy depends not only on the maintenance intervals but also on the resources (human and material) available to implement such strategies. Thus, the effect of the necessary resources on RAM+C needs to be modeled and accounted for in formulating the MOP affecting the set of objectives and constraints. In this paper RAM+C models to explicitly address the effect of human resources and material resources (spare parts) on RAM+C criteria are proposed. This extended model allows accounting for explicitly how the above decision criteria depends on the basic model parameters representing the type of strategies, maintenance intervals, durations, human resources and material resources. Finally, an application case is performed to optimize the maintenance plan of a motor-driven pump equipment considering as decision variables maintenance and test intervals and human and material resources.

  11. Maintenance modeling and optimization integrating human and material resources

    Energy Technology Data Exchange (ETDEWEB)

    Martorell, S., E-mail: smartore@iqn.upv.e [Dpto. Ingenieria Quimica y Nuclear, Universidad Politecnica Valencia (Spain); Villamizar, M.; Carlos, S. [Dpto. Ingenieria Quimica y Nuclear, Universidad Politecnica Valencia (Spain); Sanchez, A. [Dpto. Estadistica e Investigacion Operativa Aplicadas y Calidad, Universidad Politecnica Valencia (Spain)

    2010-12-15

    Maintenance planning is a subject of concern to many industrial sectors as plant safety and business depend on it. Traditionally, the maintenance planning is formulated in terms of a multi-objective optimization (MOP) problem where reliability, availability, maintainability and cost (RAM+C) act as decision criteria and maintenance strategies (i.e. maintenance tasks intervals) act as the only decision variables. However the appropriate development of each maintenance strategy depends not only on the maintenance intervals but also on the resources (human and material) available to implement such strategies. Thus, the effect of the necessary resources on RAM+C needs to be modeled and accounted for in formulating the MOP affecting the set of objectives and constraints. In this paper RAM+C models to explicitly address the effect of human resources and material resources (spare parts) on RAM+C criteria are proposed. This extended model allows accounting for explicitly how the above decision criteria depends on the basic model parameters representing the type of strategies, maintenance intervals, durations, human resources and material resources. Finally, an application case is performed to optimize the maintenance plan of a motor-driven pump equipment considering as decision variables maintenance and test intervals and human and material resources.

  12. Aggregate material formulated with MSWI bottom ash and APC fly ash for use as secondary building material.

    Science.gov (United States)

    del Valle-Zermeño, R; Formosa, J; Chimenos, J M; Martínez, M; Fernández, A I

    2013-03-01

    The main goal of this paper is to obtain a granular material formulated with Municipal Solid Waste Incineration (MSWI) bottom ash (BA) and air pollution control (APC) fly ash to be used as secondary building material. Previously, an optimum concrete mixture using both MSWI residues as aggregates was formulated. A compromise between the environmental behavior whilst maximizing the reuse of APC fly ash was considered and assessed. Unconfined compressive strength and abrasion resistance values were measured in order to evaluate the mechanical properties. From these results, the granular mixture was not suited for certain applications owing to the high BA/APC fly ash content and low cement percentages used to reduce the costs of the final product. Nevertheless, the leaching test performed showed that the concentrations of all heavy metals were below the limits established by the current Catalan legislation for their reutilization. Therefore, the material studied might be mainly used in embankments, where high mechanical properties are not needed and environmental safety is assured. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. The influence of actuator materials and nozzle designs on electrostatic charge of pressurised metered dose inhaler (pMDI) formulations.

    Science.gov (United States)

    Chen, Yang; Young, Paul M; Fletcher, David F; Chan, Hak Kim; Long, Edward; Lewis, David; Church, Tanya; Traini, Daniela

    2014-05-01

    To investigate the influence of different actuator materials and nozzle designs on the electrostatic charge properties of a series of solution metered dose inhaler (pMDI) aerosols. Actuators were manufactured with flat and cone nozzle designs using five different materials from the triboelectric series (Nylon, Polyethylene terephthalate, Polyethylene-High density, Polypropylene copolymer and Polytetrafluoroethylene). The electrostatic charge profiles of pMDI containing beclomethasone dipropionate (BDP) as model drug in HFA-134a propellant, with different concentrations of ethanol were studied. Electrostatic measurements were taken using a modified electrical low-pressure impactor (ELPI) and the deposited drug mass assayed chemically using HPLC. The charge profiles of HFA 134a alone have shown strong electronegativity with all actuator materials and nozzle designs, at an average of -1531.34 pC ± 377.34. The presence of co-solvent ethanol significantly reduced the negative charge magnitude. BDP reduced the suppressing effect of ethanol on the negative charging of the propellant. For all tested formulations, the flat nozzle design showed no significant differences in net charge between different actuator materials, whereas the charge profiles of cone designs followed the triboelectric series. The electrostatic charging profiles from a solution pMDI containing BDP and ethanol can be significantly influenced by the actuator material, nozzle design and formulation components. Ethanol concentration appears to have the most significant impact. Furthermore, BDP interactions with ethanol and HFA have an influence on the electrostatic charge of aerosols. By choosing different combinations of actuator materials and orifice design, the fine particle fractions of formulations can be altered.

  14. A 3D Orthotropic Strain-Rate Dependent Elastic Damage Material Model.

    Energy Technology Data Exchange (ETDEWEB)

    English, Shawn Allen

    2014-09-01

    A three dimensional orthotropic elastic constitutive model with continuum damage and cohesive based fracture is implemented for a general polymer matrix composite lamina. The formulation assumes the possibility of distributed (continuum) damage followed b y localized damage. The current damage activation functions are simply partially interactive quadratic strain criteria . However, the code structure allows for changes in the functions without extraordinary effort. The material model formulation, implementation, characterization and use cases are presented.

  15. Viscoelastic-damage interface model formulation with friction to simulate the delamination growth in mode II shear

    Science.gov (United States)

    Goodarzi, Mohammad Saeed; Hosseini-Toudeshky, Hossein

    2017-11-01

    In this paper a formulation of a viscoelastic-damage interface model with friction in mode-II is presented. The cohesive constitutive law contains elastic and damage regimes. It has been assumed that the shear stress in the elastic regime follows the viscoelastic properties of the matrix material. The three element Voigt model has been used for the formulation of relaxation modulus of the material. Damage evolution proceeds according to the bilinear cohesive constitutive law combined with friction stress consideration. Combination of damage and friction is based on the presumption that the damaged area, related to an integration point, can be dismembered into the un-cracked area with the cohesive damage and cracked area with friction. Samples of a one element model have been presented to see the effect of parameters on the cohesive constitutive law. A comparison between the predicted results with available results of end-notched flexure specimens in the literature is also presented to verify the model. Transverse crack tension specimens are also simulated for different applied displacement velocities.

  16. Adjoint-consistent formulations of slip models for coupled electroosmotic flow systems

    KAUST Repository

    Garg, Vikram V

    2014-09-27

    Background Models based on the Helmholtz `slip\\' approximation are often used for the simulation of electroosmotic flows. The objectives of this paper are to construct adjoint-consistent formulations of such models, and to develop adjoint-based numerical tools for adaptive mesh refinement and parameter sensitivity analysis. Methods We show that the direct formulation of the `slip\\' model is adjoint inconsistent, and leads to an ill-posed adjoint problem. We propose a modified formulation of the coupled `slip\\' model, which is shown to be well-posed, and therefore automatically adjoint-consistent. Results Numerical examples are presented to illustrate the computation and use of the adjoint solution in two-dimensional microfluidics problems. Conclusions An adjoint-consistent formulation for Helmholtz `slip\\' models of electroosmotic flows has been proposed. This formulation provides adjoint solutions that can be reliably used for mesh refinement and sensitivity analysis.

  17. Formulating state space models in R with focus on longitudinal regression models

    DEFF Research Database (Denmark)

    Dethlefsen, Claus; Lundbye-Christensen, Søren

      We provide a language for formulating a range of state space models. The described methodology is implemented in the R -package sspir available from cran.r-project.org . A state space model is specified similarly to a generalized linear model in R , by marking the time-varying terms in the form......  We provide a language for formulating a range of state space models. The described methodology is implemented in the R -package sspir available from cran.r-project.org . A state space model is specified similarly to a generalized linear model in R , by marking the time-varying terms...

  18. Heat transfer model and finite element formulation for simulation of selective laser melting

    Science.gov (United States)

    Roy, Souvik; Juha, Mario; Shephard, Mark S.; Maniatty, Antoinette M.

    2017-10-01

    A novel approach and finite element formulation for modeling the melting, consolidation, and re-solidification process that occurs in selective laser melting additive manufacturing is presented. Two state variables are introduced to track the phase (melt/solid) and the degree of consolidation (powder/fully dense). The effect of the consolidation on the absorption of the laser energy into the material as it transforms from a porous powder to a dense melt is considered. A Lagrangian finite element formulation, which solves the governing equations on the unconsolidated reference configuration is derived, which naturally considers the effect of the changing geometry as the powder melts without needing to update the simulation domain. The finite element model is implemented into a general-purpose parallel finite element solver. Results are presented comparing to experimental results in the literature for a single laser track with good agreement. Predictions for a spiral laser pattern are also shown.

  19. Application of Metamodels to Identification of Metallic Materials Models

    OpenAIRE

    Pietrzyk, Maciej; Kusiak, Jan; Szeliga, Danuta; Rauch, Łukasz; Sztangret, Łukasz; Górecki, Grzegorz

    2016-01-01

    Improvement of the efficiency of the inverse analysis (IA) for various material tests was the objective of the paper. Flow stress models and microstructure evolution models of various complexity of mathematical formulation were considered. Different types of experiments were performed and the results were used for the identification of models. Sensitivity analysis was performed for all the models and the importance of parameters in these models was evaluated. Metamodels based on artificial ne...

  20. Mathematical model predicts the elastic behavior of composite materials

    Directory of Open Access Journals (Sweden)

    Zoroastro de Miranda Boari

    2005-03-01

    Full Text Available Several studies have found that the non-uniform distribution of reinforcing elements in a composite material can markedly influence its characteristics of elastic and plastic deformation and that a composite's overall response is influenced by the physical and geometrical properties of its reinforcing phases. The finite element method, Eshelby's method and dislocation mechanisms are usually employed in formulating a composite's constitutive response. This paper discusses a composite material containing SiC particles in an aluminum matrix. The purpose of this study was to find the correlation between a composite material's particle distribution and its resistance, and to come up with a mathematical model to predict the material's elastic behavior. The proposed formulation was applied to establish the thermal stress field in the aluminum-SiC composite resulting from its fabrication process, whereby the mixture is prepared at 600 °C and the composite material is used at room temperature. The analytical results, which are presented as stress probabilities, were obtained from the mathematical model proposed herein. These results were compared with the numerical ones obtained by the FEM method. A comparison of the results of the two methods, analytical and numerical, reveals very similar average thermal stress values. It is also shown that Maxwell-Boltzmann's distribution law can be applied to identify the correlation between the material's particle distribution and its resistance, using Eshelby's thermal stresses.

  1. Eddy current modeling in linear and nonlinear multifilamentary composite materials

    Science.gov (United States)

    Menana, Hocine; Farhat, Mohamad; Hinaje, Melika; Berger, Kevin; Douine, Bruno; Lévêque, Jean

    2018-04-01

    In this work, a numerical model is developed for a rapid computation of eddy currents in composite materials, adaptable for both carbon fiber reinforced polymers (CFRPs) for NDT applications and multifilamentary high temperature superconductive (HTS) tapes for AC loss evaluation. The proposed model is based on an integro-differential formulation in terms of the electric vector potential in the frequency domain. The high anisotropy and the nonlinearity of the considered materials are easily handled in the frequency domain.

  2. Effects of planar element formulation and numerical integration order on checkerboard material layouts

    CSIR Research Space (South Africa)

    Long, CS

    2009-01-01

    Full Text Available The effects of selected planar finite element formulations, and their associated integration schemes, on the stiffness of a checkerboard material layout are investigated. Standard 4-node bilinear elements, 8- and 9-node quadratic elements, as well...

  3. Usage of humic materials for formulation of stable microbial inoculants

    Science.gov (United States)

    Kydralieva, K. A.; Khudaibergenova, B. M.; Elchin, A. A.; Gorbunova, N. V.; Muratov, V. S.; Jorobekova, Sh. J.

    2009-04-01

    of the product. It is known that humic substances can increase of live organism resistance to stress loads, in particular to chemical stress, low and high temperature. Spray- and fluidized-bed drying and addition of humate-based drying protectants were evaluated for the development of dry formulations of biocontrol and plant growth promoting rhizobacteria. The drying protectants - humic acids and sodium humate gave the highest initial survival rates and the most stable formulations, without significant losses of viability after storage for 1 month at 30oC. As a result, the specific plant growth promoting effect is retained. Thus, humic materials have an unfulfilled potential for biotechnology industries based on such applications. Acknowledgement. This research was supported by the grant of ISTC KR-993.2.

  4. Efficiency of biological activator formulated material (BAFM) for volatile organic compounds removal--preliminary batch culture tests with activated sludge.

    Science.gov (United States)

    Corre, Charline; Couriol, Catherine; Amrane, Abdeltif; Dumont, Eric; Andrès, Yves; Le Cloirec, Pierre

    2012-01-01

    During biological degradation, such as biofiltration of air loaded with volatile organic compounds, the pollutant is passed through a bed packed with a solid medium acting as a biofilm support. To improve microorganism nutritional equilibrium and hence to enhance the purification capacities, a Biological Activator Formulated Material (BAFM) was developed, which is a mixture of solid nutrients dissolving slowly in a liquid phase. This solid was previously validated on mineral pollutants: ammonia and hydrogen sulphide. To evaluate the efficiency of such a material for biodegradation of some organic compounds, a simple experiment using an activated sludge batch reactor was carried out. The pollutants (sodium benzoate, phenol, p-nitrophenol and 2-4-dichlorophenol) were in the concentration range 100 to 1200 mg L(-1). The positive impact of the formulated material was shown. The improvement of the degradation rates was in the range 10-30%. This was the consequence of the low dissolution of the nutrients incorporated during material formulation, followed by their consumption by the biomass, as shown for urea used as a nitrogen source. Owing to its twofold interest (mechanical resistance and nutritional supplementation), the Biological Activator Formulated Material seems to be a promising material. Its addition to organic or inorganic supports should be investigated to confirm its relevance for implementation in biofilters.

  5. A new viscosity model for waste glass formulations

    International Nuclear Information System (INIS)

    Sadler, A.L.K.

    1996-01-01

    Waste glass formulation requires prediction, with reasonable accuracy, of properties over much wider ranges of composition than are typically encountered in any single industrial application. Melt viscosity is one such property whose behavior must be predicted in formulating new waste glasses. A model was developed for silicate glasses which relates the Arrhenius activation energy for flow to an open-quotes effectiveclose quotes measure of non-bridging oxygen content in the melt, NBO eff . The NBO eff parameter incorporates the differing effects of modifying cations on the depolymerization of the silicate network. The activation energy-composition relationship implied by the model is in accordance with experimental behavior. The model was validated against two different databases, with satisfactory results

  6. Large deformation analysis of adhesive by Eulerian method with new material model

    International Nuclear Information System (INIS)

    Maeda, K; Nishiguchi, K; Iwamoto, T; Okazawa, S

    2010-01-01

    The material model to describe large deformation of a pressure sensitive adhesive (PSA) is presented. A relationship between stress and strain of PSA includes viscoelasticity and rubber-elasticity. Therefore, we propose the material model for describing viscoelasticity and rubber-elasticity, and extend the presented material model to the rate form for three dimensional finite element analysis. After proposing the material model for PSA, we formulate the Eulerian method to simulate large deformation behavior. In the Eulerian calculation, the Piecewise Linear Interface Calculation (PLIC) method for capturing material surface is employed. By using PLIC method, we can impose dynamic and kinematic boundary conditions on captured material surface. The representative two computational examples are calculated to check validity of the present methods.

  7. Isogeometric shell formulation based on a classical shell model

    KAUST Repository

    Niemi, Antti

    2012-09-04

    This paper constitutes the first steps in our work concerning isogeometric shell analysis. An isogeometric shell model of the Reissner-Mindlin type is introduced and a study of its accuracy in the classical pinched cylinder benchmark problem presented. In contrast to earlier works [1,2,3,4], the formulation is based on a shell model where the displacement, strain and stress fields are defined in terms of a curvilinear coordinate system arising from the NURBS description of the shell middle surface. The isogeometric shell formulation is implemented using the PetIGA and igakit software packages developed by the authors. The igakit package is a Python package used to generate NURBS representations of geometries that can be utilised by the PetIGA finite element framework. The latter utilises data structures and routines of the portable, extensible toolkit for scientific computation (PETSc), [5,6]. The current shell implementation is valid for static, linear problems only, but the software package is well suited for future extensions to geometrically and materially nonlinear regime as well as to dynamic problems. The accuracy of the approach in the pinched cylinder benchmark problem and present comparisons against the h-version of the finite element method with bilinear elements. Quadratic, cubic and quartic NURBS discretizations are compared against the isoparametric bilinear discretization introduced in [7]. The results show that the quadratic and cubic NURBS approximations exhibit notably slower convergence under uniform mesh refinement as the thickness decreases but the quartic approximation converges relatively quickly within the standard variational framework. The authors future work is concerned with building an isogeometric finite element method for modelling nonlinear structural response of thin-walled shells undergoing large rigid-body motions. The aim is to use the model in a aeroelastic framework for the simulation of flapping wings.

  8. Angle-adjustable density field formulation for the modeling of crystalline microstructure

    Science.gov (United States)

    Wang, Zi-Le; Liu, Zhirong; Huang, Zhi-Feng

    2018-05-01

    A continuum density field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but challenging issue in modeling the structure and dynamics of a broad range of material systems across variable scales. This generalized phase field crystal-type approach is based upon the complete expansion of particle direct correlation functions and the concept of isotropic tensors. Through applications to the modeling of various two- and three-dimensional crystalline structures, our study demonstrates the capability of bond-angle control in this continuum field theory and its effects on the emergence of ordered phases, and provides a systematic way of performing tunable angle analyses for crystalline microstructures.

  9. Modeling high temperature materials behavior for structural analysis

    CERN Document Server

    Naumenko, Konstantin

    2016-01-01

    This monograph presents approaches to characterize inelastic behavior of materials and structures at high temperature. Starting from experimental observations, it discusses basic features of inelastic phenomena including creep, plasticity, relaxation, low cycle and thermal fatigue. The authors formulate constitutive equations to describe the inelastic response for the given states of stress and microstructure. They introduce evolution equations to capture hardening, recovery, softening, ageing and damage processes. Principles of continuum mechanics and thermodynamics are presented to provide a framework for the modeling materials behavior with the aim of structural analysis of high-temperature engineering components.

  10. Some aspects of the formulation of alginate dental impression materials--setting characteristics and mechanical properties.

    Science.gov (United States)

    Nallamuthu, Navina A; Braden, Michael; Patel, Mangala P

    2012-07-01

    To study the role of the various components of alginate dental impression materials. Experimental materials were formulated and their physical properties characterized and compared to commercially available counterparts (Neocolloid, Palgat Plus and Blueprint Cremix). Properties examined were: dimensional stability and weight change in water and artificial saliva; setting behavior; Shore A hardness and tear energy. The role of magnesium oxide was also investigated. Weight changes in water and artificial saliva can be attributed to an initial thermodynamic potential owing to the ionic content of the alginate, causing water to diffuse into the material. Water is then driven back out following a reversal of this potential. Hardness results for experimental materials were within the range obtained from the commercial materials. The hardness value for an experimental formulation that did not contain magnesium oxide was lower than values from the other experimental materials that did. Tear energies for all three experimental materials were greater than those of the commercial products. There were statistically significant differences between the two experimental materials that contained magnesium oxide and one that did not. With regard to setting time, statistically significant differences were seen between commercial materials and two of the experimental materials. The experimental material that did not contain magnesium oxide had a considerably longer setting time than all of the other materials tested. The key role of magnesium oxide in the setting reaction and the effect on hardness have been demonstrated and discussed. Copyright © 2012 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  11. Characterization of industrial wastes as raw materials for Emulsified Modified Bitumen (EMB) formulation

    Science.gov (United States)

    Najib Razali, Mohd; Isa, Syarifah Nur Ezatie Mohd; Salehan, Noor Adilah Md; Musa, Musfafikri; Aziz, Mohd Aizudin Abd; Nour, Abdurahman Hamid; Yunus, Rosli Mohd

    2018-04-01

    This study was conducted to characterize industrial wastes for formulation of emulsified modified bitumen (EMB) in relation to their physical characteristic and elemental composition. This analysis will give information either raw materials from industrial wastes can be used for EMB formulation. Bitumen is produced from crude oil that is extracted from the ground which categorizes the crude oil as one of the non-renewable form of product. A vast environmental problem issues arises in Malaysia cause by the excessive manufacturing activity that lead to a miss-management of industrial waste has leads to the used of industrial waste in the EMB formulation. Industrial waste such as polystyrene, polyethylene and used automotive oil can be used as alternative to formulate bitumen. Then a suitable emulsifier needs to be added to produce the final product which is EMB. The emulsifier will yield a charge depends on its properties to bind the oily bitumen with water. Physical characteristic studies were performed by thermogravimetric Analysis (TGA), differential scanning calorimetry (DSC), flash point test, density rest and moisture content test. Fourier Transform Infrared Spectroscopy (FTIR) analysis was measured to determine the material’s molecular composition and structure.

  12. General formulation of standard model the standard model is in need of new concepts

    International Nuclear Information System (INIS)

    Khodjaev, L.Sh.

    2001-01-01

    The phenomenological basis for formulation of the Standard Model has been reviewed. The Standard Model based on the fundamental postulates has been formulated. The concept of the fundamental symmetries has been introduced: To look for not fundamental particles but fundamental symmetries. By searching of more general theory it is natural to search first of all global symmetries and than to learn consequence connected with the localisation of this global symmetries like wise of the standard Model

  13. A parcel formulation for Hamiltonian layer models

    NARCIS (Netherlands)

    Bokhove, Onno; Oliver, M.

    Starting from the three-dimensional hydrostatic primitive equations, we derive Hamiltonian N-layer models with isentropic tropospheric and isentropic or isothermal stratospheric layers. Our construction employs a new parcel Hamiltonian formulation which describes the fluid as a continuum of

  14. Modeling the dynamic crush of impact mitigating materials

    International Nuclear Information System (INIS)

    Logan, R.W.; McMichael, L.D.

    1995-01-01

    Crushable materials are commonly utilized in the design of structural components to absorb energy and mitigate shock during the dynamic impact of a complex structure, such as an automobile chassis or drum-type shipping container. The development and application of several finite-element material models which have been developed at various times at LLNL for DYNA3D will be discussed. Between the models, they are able to account for several of the predominant mechanisms which typically influence the dynamic mechanical behavior of crushable materials. One issue we addressed was that no single existing model would account for the entire gambit of constitutive features which are important for crushable materials. Thus, we describe the implementation and use of an additional material model which attempts to provide a more comprehensive model of the mechanics of crushable material behavior. This model combines features of the pre-existing DYNA models and incorporates some new features as well in an invariant large-strain formulation. In addition to examining the behavior of a unit cell in uniaxial compression, two cases were chosen to evaluate the capabilities and accuracy of the various material models in DYNA. In the first case, a model for foam filled box beams was developed and compared to test data from a 4-point bend test. The model was subsequently used to study its effectiveness in energy absorption in an aluminum extrusion, spaceframe, vehicle chassis. The second case examined the response of the AT-400A shipping container and the performance of the overpack material during accident environments selected from 10CFR71 and IAEA regulations

  15. Multiscale modeling of complex materials phenomenological, theoretical and computational aspects

    CERN Document Server

    Trovalusci, Patrizia

    2014-01-01

    The papers in this volume deal with materials science, theoretical mechanics and experimental and computational techniques at multiple scales, providing a sound base and a framework for many applications which are hitherto treated in a phenomenological sense. The basic principles are formulated of multiscale modeling strategies towards modern complex multiphase materials subjected to various types of mechanical, thermal loadings and environmental effects. The focus is on problems where mechanics is highly coupled with other concurrent physical phenomena. Attention is also focused on the historical origins of multiscale modeling and foundations of continuum mechanics currently adopted to model non-classical continua with substructure, for which internal length scales play a crucial role.

  16. Variable thickness transient ground-water flow model. Volume 1. Formulation

    International Nuclear Information System (INIS)

    Reisenauer, A.E.

    1979-12-01

    Mathematical formulation for the variable thickness transient (VTT) model of an aquifer system is presented. The basic assumptions are described. Specific data requirements for the physical parameters are discussed. The boundary definitions and solution techniques of the numerical formulation of the system of equations are presented

  17. Formulation of stiffness equation for a three-dimensional isoparametric element with elastic-plastic material and large deformation

    International Nuclear Information System (INIS)

    Chang, T.Y.; Prachuktam, S.; Reich, M.

    1975-01-01

    The formulation of the stiffness equation for an 8 to 21 node isoparametric element with elastic-plastic material and large deformation is presented. The formulation has been implemented in a nonlinear finite element program for the analysis of three-dimensional continuums. To demonstrate the utility of the formulation, a thick-walled cylinder was analyzed and the results are compared favorably with a known solution. The element type presented can be applied not only to 3-D continuums, but also to plate or shell structures, for which degenerated isoparametric elements may be used

  18. Nonlinear finite element formulation for analyzing shape memory alloy cylindrical panels

    International Nuclear Information System (INIS)

    Mirzaeifar, R; Shakeri, M; Sadighi, M

    2009-01-01

    In this paper, a general incremental displacement based finite element formulation capable of modeling material nonlinearities based on first-order shear deformation theory (FSDT) is developed for cylindrical shape memory alloy (SMA) shells. The Boyd–Lagoudas phenomenological model with polynomial hardening in conjunction with 3D incremental convex cutting plane explicit algorithm is implemented for preparing the SMA constitutive model in the finite element formulation. Several numerical examples are presented for demonstrating the performance of the proposed formulation in stress, deflection and phase transformation analysis of pseudoelastic behavior of shape memory cylindrical panels with various boundary conditions. Also, it is shown that the presented formulation can be implemented for studying plates and beams with rectangular cross section

  19. Formulating state space models in R with focus on longitudinal regression models

    DEFF Research Database (Denmark)

    Dethlefsen, Claus; Lundbye-Christensen, Søren

    2006-01-01

    We provide a language for formulating a range of state space models with response densities within the exponential family. The described methodology is implemented in the R-package sspir. A state space model is specified similarly to a generalized linear model in R, and then the time-varying terms...

  20. Modeling of sintering of functionally gradated materials

    International Nuclear Information System (INIS)

    Gasik, M.; Zhang, B.

    2001-01-01

    The functionally gradated materials (FGMs) are distinguished from isotropic materials by gradients of composition, phase distribution, porosity, and related properties. For FGMs made by powder metallurgy, sintering control is one of the most important factors. In this study sintering process of FGMs is modeled and simulated with a computer. A new modeling approach was used to formulate equation systems and the model for sintering of gradated hard metals, coupled with heat transfer and grain growth. A FEM module was developed to simulate FGM sintering in conventional, microwave and hybrid conditions, to calculate density, stress and temperature distribution. Behavior of gradated WC-Co hardmetal plate and cone specimens was simulated for various conditions, such as mean particle size, green density distribution and cobalt gradation parameter. The results show that the deformation behavior and stress history of graded powder compacts during heating, sintering and cooling could be predicted for optimization of sintering process. (author)

  1. A primer on stochastic epidemic models: Formulation, numerical simulation, and analysis

    Directory of Open Access Journals (Sweden)

    Linda J.S. Allen

    2017-05-01

    Full Text Available Some mathematical methods for formulation and numerical simulation of stochastic epidemic models are presented. Specifically, models are formulated for continuous-time Markov chains and stochastic differential equations. Some well-known examples are used for illustration such as an SIR epidemic model and a host-vector malaria model. Analytical methods for approximating the probability of a disease outbreak are also discussed. Keywords: Branching process, Continuous-time Markov chain, Minor outbreak, Stochastic differential equation, 2000 MSC: 60H10, 60J28, 92D30

  2. A constitutive framework for modelling thin incompressible viscoelastic materials under plane stress in the finite strain regime

    Science.gov (United States)

    Kroon, M.

    2011-11-01

    Rubbers and soft biological tissues may undergo large deformations and are also viscoelastic. The formulation of constitutive models for these materials poses special challenges. In several applications, especially in biomechanics, these materials are also relatively thin, implying that in-plane stresses dominate and that plane stress may therefore be assumed. In the present paper, a constitutive model for viscoelastic materials in the finite strain regime and under the assumption of plane stress is proposed. It is assumed that the relaxation behaviour in the direction of plane stress can be treated separately, which makes it possible to formulate evolution laws for the plastic strains on explicit form at the same time as incompressibility is fulfilled. Experimental results from biomechanics (dynamic inflation of dog aorta) and rubber mechanics (biaxial stretching of rubber sheets) were used to assess the proposed model. The assessment clearly indicates that the model is fully able to predict the experimental outcome for these types of material.

  3. Computational modeling, optimization and manufacturing simulation of advanced engineering materials

    CERN Document Server

    2016-01-01

    This volume presents recent research work focused in the development of adequate theoretical and numerical formulations to describe the behavior of advanced engineering materials.  Particular emphasis is devoted to applications in the fields of biological tissues, phase changing and porous materials, polymers and to micro/nano scale modeling. Sensitivity analysis, gradient and non-gradient based optimization procedures are involved in many of the chapters, aiming at the solution of constitutive inverse problems and parameter identification. All these relevant topics are exposed by experienced international and inter institutional research teams resulting in a high level compilation. The book is a valuable research reference for scientists, senior undergraduate and graduate students, as well as for engineers acting in the area of computational material modeling.

  4. AERMOD: A DISPERSION MODEL FOR INDUSTRIAL SOURCE APPLICATIONS PART I: GENERAL MODEL FORMULATION AND BOUNDARY LAYER CHARACTERIZATION

    Science.gov (United States)

    The formulations of the AMS/EPA Regulatory Model Improvement Committee's applied air dispersion model (AERMOD) as related to the characterization of the planetary boundary layer are described. This is the first in a series of three articles. Part II describes the formulation of...

  5. Formulation Changes Affect Material Properties and Cell Behavior in HA-Based Hydrogels

    Directory of Open Access Journals (Sweden)

    Thomas Lawyer

    2012-01-01

    Full Text Available To develop and optimize new scaffold materials for tissue engineering applications, it is important to understand how changes to the scaffold affect the cells that will interact with that scaffold. In this study, we used a hyaluronic acid- (HA- based hydrogel as a synthetic extracellular matrix, containing modified HA (CMHA-S, modified gelatin (Gtn-S, and a crosslinker (PEGda. By varying the concentrations of these components, we were able to change the gelation time, enzymatic degradation, and compressive modulus of the hydrogel. These changes also affected fibroblast spreading within the hydrogels and differentially affected the proliferation and metabolic activity of fibroblasts and mesenchymal stem cells (MSCs. In particular, PEGda concentration had the greatest influence on gelation time, compressive modulus, and cell spreading. MSCs appeared to require a longer period of adjustment to the new microenvironment of the hydrogels than fibroblasts. Fibroblasts were able to proliferate in all formulations over the course of two weeks, but MSCs did not. Metabolic activity changed for each cell type during the two weeks depending on the formulation. These results highlight the importance of determining the effect of matrix composition changes on a particular cell type of interest in order to optimize the formulation for a given application.

  6. Fluid dynamics and mass transfer in variably saturated porous media: formulation and applications of a mathematical model

    International Nuclear Information System (INIS)

    Sharma, D.

    1982-01-01

    This paper presents the formulation and applications of a mathematical model designed to predict the fluid dynamics and associated mass transfers in variably saturated porous media. Novelties in the formulation are emphasized and demonstrated to provide several computational advantages. The numerical procedure employed is of the integrated finite-difference variety which employs a hybrid differencing scheme. This procedure, while solving the coupled governing equations in conservative form, permits accommodation of substantial heterogeneities and anisotropies in material properties of the porous media. Accordingly, it is capable of making reliable predictions of steeply varying moisture and chemical-specie concentration fronts. The paper provides several examples of application of the model to the solution of practical problems. It is demonstrated that economical solutions to highly non-linear problems associated with solid and liquid waste disposal practices can be obtained

  7. Formulation of a candidate glass for use as an acceptance test standard material

    International Nuclear Information System (INIS)

    Ebert, W.L.; Strachan, D.M.; Wolf, S.F.

    1998-04-01

    In this report, the authors discuss the formulation of a glass that will be used in a laboratory testing program designed to measure the precision of test methods identified in the privatization contracts for the immobilization of Hanford low-activity wastes. Tests will be conducted with that glass to measure the reproducibility of tests and analyses that must be performed by glass producers as a part of the product acceptance procedure. Test results will be used to determine if the contractually required tests and analyses are adequate for evaluating the acceptability of likely immobilized low-activity waste (ILAW) products. They will also be used to evaluate if the glass designed for use in these tests can be used as an analytical standard test material for verifying results reported by vendors for tests withg ILAW products. The results of those tests and analyses will be presented in a separate report. The purpose of this report is to document the strategy used to formulate the glass to be used in the testing program. The low-activity waste reference glass LRM that will be used in the testing program was formulated to be compositionally similar to ILAW products to be made with wastes from Hanford. Since the ILAW product compositions have not been disclosed by the vendors participating in the Hanford privatization project, the composition of LRM was formulated based on simulated Hanford waste stream and amounts of added glass forming chemicals typical for vitrified waste forms. The major components are 54 mass % SiO 2 , 20 mass % Na 2 O, 10 mass % Al 2 O 3 , 8 mass % B 2 O 3 , and 1.5 mass % K 2 O. Small amounts of other chemicals not present in Hanford wastes were also included in the glass, since they may be included as chemical additives in ILAW products. This was done so that the use of LRM as a composition standard could be evaluated. Radionuclides were not included in LRM because a nonradioactive material was desired

  8. Simulation of field effects on the mechanical hysteresis of Terfenol rods and magnetic shape memory materials using vector Preisach-type models

    International Nuclear Information System (INIS)

    Adly, A.A.; Davino, D.; Visone, C.

    2006-01-01

    Materials exhibiting gigantic magnetostriction and magnetic shape memory are currently being widely used in various applications. Recently, an approach based on simulating 1-D magnetostriction using 2-D anisotropic Preisach-type models has been introduced. The purpose of this paper is to present a detailed formulation and quantitative assessment for the simulation of field effects on the mechanical hysteresis of Terfenol rods and magnetic shape memory materials using this recently proposed model. Details of the model formulation, identification procedure and experimental testing are given in the paper

  9. Flow Formulation-based Model for the Curriculum-based Course Timetabling Problem

    DEFF Research Database (Denmark)

    Bagger, Niels-Christian Fink; Kristiansen, Simon; Sørensen, Matias

    2015-01-01

    problem. This decreases the number of integer variables signicantly and improves the performance compared to the basic formulation. It also shows competitiveness with other approaches based on mixed integer programming from the literature and improves the currently best known lower bound on one data...... instance in the benchmark data set from the second international timetabling competition.......In this work we will present a new mixed integer programming formulation for the curriculum-based course timetabling problem. We show that the model contains an underlying network model by dividing the problem into two models and then connecting the two models back into one model using a maximum ow...

  10. Performance Evaluation of Abrasive Grinding Wheel Formulated ...

    African Journals Online (AJOL)

    This paper presents a study on the formulation and manufacture of abrasive grinding wheel using locally formulated silicon carbide abrasive grains. Six local raw material substitutes were identified through pilot study and with the initial mix of the identified materials, a systematic search for an optimal formulation of silicon ...

  11. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    Energy Technology Data Exchange (ETDEWEB)

    Matouš, Karel, E-mail: kmatous@nd.edu [Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN 46556 (United States); Geers, Marc G.D.; Kouznetsova, Varvara G. [Department of Mechanical Engineering, Eindhoven University of Technology, Eindhoven (Netherlands); Gillman, Andrew [Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN 46556 (United States)

    2017-02-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  12. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    Science.gov (United States)

    Matouš, Karel; Geers, Marc G. D.; Kouznetsova, Varvara G.; Gillman, Andrew

    2017-02-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  13. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    International Nuclear Information System (INIS)

    Matouš, Karel; Geers, Marc G.D.; Kouznetsova, Varvara G.; Gillman, Andrew

    2017-01-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  14. Three-dimensional formulation of rigid-flexible multibody systems with flexible beam elements

    International Nuclear Information System (INIS)

    Garcia-Vallejo, D.; Mayo, J.; Escalona, J. L.; Dominguez, J.

    2008-01-01

    Multibody systems generally contain solids with appreciable deformations and which decisively influence the dynamics of the system. These solids have to be modeled by means of special formulations for flexible solids. At the same time, other solids are of such a high stiffness that they may be considered rigid, which simplifies their modeling. For these reasons, for a rigid-flexible multibody system, two types of formulations coexist in the equations of the system. Among the different possibilities provided in the literature on the material, the formulation in natural coordinates and the formulation in absolute nodal coordinates are utilized in this paper to model the rigid and flexible solids, respectively. This paper contains a mixed formulation based on the possibility of sharing coordinates between a rigid solid and a flexible solid. The global mass matrix of the system is shown to be constant and, in addition, many of the constraint equations obtained upon utilizing these formulations are linear and can be eliminated

  15. Thermodynamical aspects of modeling the mechanical response of granular materials

    International Nuclear Information System (INIS)

    Elata, D.

    1995-01-01

    In many applications in rock physics, the material is treated as a continuum. By supplementing the related conservation laws with constitutive equations such as stress-strain relations, a well-posed problem can be formulated and solved. The stress-strain relations may be based on a combination of experimental data and a phenomenological or micromechanical model. If the model is physically sound and its parameters have a physical meaning, it can serve to predict the stress response of the material to unmeasured deformations, predict the stress response of other materials, and perhaps predict other categories of the mechanical response such as failure, permeability, and conductivity. However, it is essential that the model be consistent with all conservation laws and consistent with the second law of thermodynamics. Specifically, some models of the mechanical response of granular materials proposed in literature, are based on intergranular contact force-displacement laws that violate the second law of thermodynamics by permitting energy generation at no cost. This diminishes the usefulness of these models as it invalidates their predictive capabilities. [This work was performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48.

  16. Estimation of individual sennosides in plant materials and marketed formulations by an HPTLC method.

    Science.gov (United States)

    Shah, S A; Ravishankara, M N; Nirmal, A; Shishoo, C J; Rathod, I S; Suhagia, B N

    2000-04-01

    Senna is a well-known drug, used in the Ayurvedic and Allopathic systems of medicine, and is a treatment for constipation. The purgative action of senna and its formulations is due to the presence of sennosides A and B. An HPTLC method has been developed for the determination of individual sennosides (A, B, C, D) without any derivatization in marketed formulations (three tablet formulations, two granule formulations and one liquid formulation) and plant materials (senna leaf and pod). The methanolic solution of a sample was applied on a pre-coated silica gel G60 F254 TLC plate (E. Merck.) and was developed using n-propanol : ethyl acetate : water : glacial acetic acid (3 : 3 : 2 : 0.1 v/v) as the mobile phase. The relative band speeds (Rf values) obtained were 0.35, 0.25, 0.61, 0.46 for sennosides A, B, C and D, respectively. The densitometric response was monitored at 366nm. Calibration curves were found to be linear in the concentration ranges 193-1356, 402-2817, 71-497 and 132-927 ng per spot for sennosides A, B, C, and D, respectively. The correlation coefficients were found to be 0.9978, 0.9987, 0.9939 and 0.9983 respectively for sennosides A, B, C and D. The result obtained with the HPTLC method for total sennoside content was compared with the results using the pharmacopoeial methods (spectrophotometric (British Pharmacopoeia) and spectrofluorimetric (United States Pharmacopeia) using the 'F' test). The results revealed no significant difference in the three different methods for estimation of total sennoside. The proposed HPTLC method was found to be simple, specific, precise, accurate and rapid. It can be used for routine quality control of sennosides or senna-containing formulations for individual sennosides.

  17. Grid refinement model in lattice Boltzmann method for stream function-vorticity formulations

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Myung Seob [Dept. of Mechanical Engineering, Dongyang Mirae University, Seoul (Korea, Republic of)

    2015-03-15

    In this study, we present a grid refinement model in the lattice Boltzmann method (LBM) for two-dimensional incompressible fluid flow. That is, the model combines the desirable features of the lattice Boltzmann method and stream function-vorticity formulations. In order to obtain an accurate result, very fine grid (or lattice) is required near the solid boundary. Therefore, the grid refinement model is used in the lattice Boltzmann method for stream function-vorticity formulation. This approach is more efficient in that it can obtain the same accurate solution as that in single-block approach even if few lattices are used for computation. In order to validate the grid refinement approach for the stream function-vorticity formulation, the numerical simulations of lid-driven cavity flows were performed and good results were obtained.

  18. Forward Modeling and validation of a new formulation to compute self-potential signals associated with ground water flow

    Directory of Open Access Journals (Sweden)

    A. Bolève

    2007-10-01

    Full Text Available The classical formulation of the coupled hydroelectrical flow in porous media is based on a linear formulation of two coupled constitutive equations for the electrical current density and the seepage velocity of the water phase and obeying Onsager's reciprocity. This formulation shows that the streaming current density is controlled by the gradient of the fluid pressure of the water phase and a streaming current coupling coefficient that depends on the so-called zeta potential. Recently a new formulation has been introduced in which the streaming current density is directly connected to the seepage velocity of the water phase and to the excess of electrical charge per unit pore volume in the porous material. The advantages of this formulation are numerous. First this new formulation is more intuitive not only in terms of establishing a constitutive equation for the generalized Ohm's law but also in specifying boundary conditions for the influence of the flow field upon the streaming potential. With the new formulation, the streaming potential coupling coefficient shows a decrease of its magnitude with permeability in agreement with published results. The new formulation has been extended in the inertial laminar flow regime and to unsaturated conditions with applications to the vadose zone. This formulation is suitable to model self-potential signals in the field. We investigate infiltration of water from an agricultural ditch, vertical infiltration of water into a sinkhole, and preferential horizontal flow of ground water in a paleochannel. For the three cases reported in the present study, a good match is obtained between finite element simulations performed and field observations. Thus, this formulation could be useful for the inverse mapping of the geometry of groundwater flow from self-potential field measurements.

  19. Modeling of the interfacial separation work in relation to impurity concentration in adjoining materials

    Science.gov (United States)

    Alekseev, Ilia M.; Makhviladze, Tariel M.; Minushev, Airat Kh.; Sarychev, Mikhail E.

    2010-02-01

    On the basis of the general thermodynamic approach developed in a model describing the influence of point defects on the separation work at an interface of solid materials is developed. The kinetic equations describing the defect exchange between the interface and the material bulks are formulated. The model have been applied to the case when joined materials contain such point defects as impurity atoms (interstitial and substitutional), concretized the main characteristic parameters required for a numerical modeling as well as clarified their domains of variability. The results of the numerical modeling concerning the dependences on impurity concentrations and the temperature dependences are obtained and analyzed. Particularly, the effects of interfacial strengthening and adhesion incompatibility predicted analytically for the case of impurity atoms are verified and analyzed.

  20. Characterization of new functionalized calcium carbonate-polycaprolactone composite material for application in geometry-constrained drug release formulation development.

    Science.gov (United States)

    Wagner-Hattler, Leonie; Schoelkopf, Joachim; Huwyler, Jörg; Puchkov, Maxim

    2017-10-01

    A new mineral-polymer composite (FCC-PCL) performance was assessed to produce complex geometries to aid in development of controlled release tablet formulations. The mechanical characteristics of a developed material such as compactibility, compressibility and elastoplastic deformation were measured. The results and comparative analysis versus other common excipients suggest efficient formation of a complex, stable and impermeable geometries for constrained drug release modifications under compression. The performance of the proposed composite material has been tested by compacting it into a geometrically altered tablet (Tablet-In-Cup, TIC) and the drug release was compared to commercially available product. The TIC device exhibited a uniform surface, showed high physical stability, and showed absence of friability. FCC-PCL composite had good binding properties and good compactibility. It was possible to reveal an enhanced plasticity characteristic of a new material which was not present in the individual components. The presented FCC-PCL composite mixture has the potential to become a successful tool to formulate controlled-release dosage solid forms.

  1. Adjoint-consistent formulations of slip models for coupled electroosmotic flow systems

    KAUST Repository

    Garg, Vikram V; Prudhomme, Serge; van der Zee, Kris G; Carey, Graham F

    2014-01-01

    Models based on the Helmholtz `slip' approximation are often used for the simulation of electroosmotic flows. The objectives of this paper are to construct adjoint-consistent formulations of such models, and to develop adjoint

  2. A variational multiscale constitutive model for nanocrystalline materials

    KAUST Repository

    Gurses, Ercan

    2011-03-01

    This paper presents a variational multi-scale constitutive model in the finite deformation regime capable of capturing the mechanical behavior of nanocrystalline (nc) fcc metals. The nc-material is modeled as a two-phase material consisting of a grain interior phase and a grain boundary effected zone (GBAZ). A rate-independent isotropic porous plasticity model is employed to describe the GBAZ, whereas a crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The constitutive models of both phases are formulated in a small strain framework and extended to finite deformation by use of logarithmic and exponential mappings. Assuming the rule of mixtures, the overall behavior of a given grain is obtained via volume averaging. The scale transition from a single grain to a polycrystal is achieved by Taylor-type homogenization where a log-normal grain size distribution is assumed. It is shown that the proposed model is able to capture the inverse HallPetch effect, i.e., loss of strength with grain size refinement. Finally, the predictive capability of the model is validated against experimental results on nanocrystalline copper and nickel. © 2010 Elsevier Ltd. All rights reserved.

  3. Generalized Continuum: from Voigt to the Modeling of Quasi-Brittle Materials

    Directory of Open Access Journals (Sweden)

    Jamile Salim Fuina

    2010-12-01

    Full Text Available This article discusses the use of the generalized continuum theories to incorporate the effects of the microstructure in the nonlinear finite element analysis of quasi-brittle materials and, thus, to solve mesh dependency problems. A description of the problem called numerically induced strain localization, often found in Finite Element Method material non-linear analysis, is presented. A brief historic about the Generalized Continuum Mechanics based models is presented, since the initial work of Voigt (1887 until the more recent studies. By analyzing these models, it is observed that the Cosserat and microstretch approaches are particular cases of a general formulation that describes the micromorphic continuum. After reporting attempts to incorporate the material microstructure in Classical Continuum Mechanics based models, the article shows the recent tendency of doing it according to assumptions of the Generalized Continuum Mechanics. Finally, it presents numerical results which enable to characterize this tendency as a promising way to solve the problem.

  4. Effects of material properties and speed of compression on microbial survival and tensile strength in diclofenac tablet formulations.

    Science.gov (United States)

    Ayorinde, J O; Itiola, O A; Odeniyi, M A

    2013-03-01

    A work has been done to study the effects of material properties and compression speed on microbial survival and tensile strength in diclofenac tablet formulations. Tablets were produced from three formulations containing diclofenac and different excipients (DC, DL and DDCP). Two types of machines (Hydraulic hand press and single punch press), which compress the tablets at different speeds, were used. The compression properties of the tablets were analyzed using Heckel and Kawakita equations. A 3-dimensional plot was produced to determine the relationship between the tensile strength, compression speed and percentage survival of Bacillus subtilis in the diclofenac tablets. The mode of consolidation of diclofenac was found to depends on the excipient used in the formulation. DC deformed mainly by plastic flow with the lowest Py and Pk values. DL deformed plastically at the initial stage, followed by fragmentation at the later stage of compression, whereas DDCP deformed mainly by fragmentation with the highest Py and Pk values. The ranking of the percentage survival of B. subtilis in the formulations was DDCP > DL > DC, whereas the ranking of the tensile strength of the tablets was DDCP > DL > DC. Tablets produced on a hydraulic hand press with a lower compression speed had a lower percentage survival of microbial contaminants than those produced on a single punch press, which compressed the tablets at a much higher speed. The mode of consolidation of the materials and the speed at which tablet compression is carried out have effects on both the tensile strength of the tablets and the extent of destruction of microbial contaminants in diclofenac tablet formulations.

  5. Port Hamiltonian Formulation of Infinite Dimensional Systems I. Modeling

    NARCIS (Netherlands)

    Macchelli, Alessandro; Schaft, Arjan J. van der; Melchiorri, Claudio

    2004-01-01

    In this paper, some new results concerning the modeling of distributed parameter systems in port Hamiltonian form are presented. The classical finite dimensional port Hamiltonian formulation of a dynamical system is generalized in order to cope with the distributed parameter and multi-variable case.

  6. Pre-clinical evaluation of soybean-based wound dressings and dermal substitute formulations in pig healing and non-healing in vivo models

    Directory of Open Access Journals (Sweden)

    Rostislav V Shevchenko

    2014-10-01

    Full Text Available In the last decade, a new class of natural biomaterials derived from de-fatted soybean flour processed by either thermoset or extraction procedures has been developed. These biomaterials uniquely combine adaptability to various clinical applications to proven tissue regeneration properties. In the present work, the biomaterials were formulated either as hydrogel or as paste formulation and their potential as wound dressing material or as dermal substitute was assessed by two in vivo models in pig skin: The healing full-thickness punch biopsy model and the non-healing full-thickness polytetrafluoroethylene (PTFE chamber model. The results clearly show that collagen deposition is induced by the presence of these biomaterials. A unique pattern of early inflammatory response, eliciting neutrophils and controlling macrophage infiltration, is followed by tissue cell colonization of the wound bed with a significant deposition of collagen fibers. The study also highlighted the importance in the use of optimal formulations and appropriate handling upon implantation. In large size, non-healing wounds, wound dermis was best obtained with the paste formulation as hydrogels appeared to be too loose to ensure lasting scaffolding properties. On the contrary, packing of the granules during the application of paste reduced biomaterial degradation rate and prevent the penetration of newly vascularized tissue, thus impeding grafting of split-thickness autologous skin grafts on the dermal substitute base.

  7. Modelling multiple cycles of static and dynamic recrystallisation using a fully implicit isotropic material model based on dislocation density

    Science.gov (United States)

    Jansen van Rensburg, Gerhardus J.; Kok, Schalk; Wilke, Daniel N.

    2018-03-01

    This paper presents the development and numerical implementation of a state variable based thermomechanical material model, intended for use within a fully implicit finite element formulation. Plastic hardening, thermal recovery and multiple cycles of recrystallisation can be tracked for single peak as well as multiple peak recrystallisation response. The numerical implementation of the state variable model extends on a J2 isotropic hypo-elastoplastic modelling framework. The complete numerical implementation is presented as an Abaqus UMAT and linked subroutines. Implementation is discussed with detailed explanation of the derivation and use of various sensitivities, internal state variable management and multiple recrystallisation cycle contributions. A flow chart explaining the proposed numerical implementation is provided as well as verification on the convergence of the material subroutine. The material model is characterised using two high temperature data sets for cobalt and copper. The results of finite element analyses using the material parameter values characterised on the copper data set are also presented.

  8. A hydrodynamic model for granular material flows including segregation effects

    Science.gov (United States)

    Gilberg, Dominik; Klar, Axel; Steiner, Konrad

    2017-06-01

    The simulation of granular flows including segregation effects in large industrial processes using particle methods is accurate, but very time-consuming. To overcome the long computation times a macroscopic model is a natural choice. Therefore, we couple a mixture theory based segregation model to a hydrodynamic model of Navier-Stokes-type, describing the flow behavior of the granular material. The granular flow model is a hybrid model derived from kinetic theory and a soil mechanical approach to cover the regime of fast dilute flow, as well as slow dense flow, where the density of the granular material is close to the maximum packing density. Originally, the segregation model has been formulated by Thornton and Gray for idealized avalanches. It is modified and adapted to be in the preferred form for the coupling. In the final coupled model the segregation process depends on the local state of the granular system. On the other hand, the granular system changes as differently mixed regions of the granular material differ i.e. in the packing density. For the modeling process the focus lies on dry granular material flows of two particle types differing only in size but can be easily extended to arbitrary granular mixtures of different particle size and density. To solve the coupled system a finite volume approach is used. To test the model the rotational mixing of small and large particles in a tumbler is simulated.

  9. Investigation of an artificial intelligence technology--Model trees. Novel applications for an immediate release tablet formulation database.

    Science.gov (United States)

    Shao, Q; Rowe, R C; York, P

    2007-06-01

    This study has investigated an artificial intelligence technology - model trees - as a modelling tool applied to an immediate release tablet formulation database. The modelling performance was compared with artificial neural networks that have been well established and widely applied in the pharmaceutical product formulation fields. The predictability of generated models was validated on unseen data and judged by correlation coefficient R(2). Output from the model tree analyses produced multivariate linear equations which predicted tablet tensile strength, disintegration time, and drug dissolution profiles of similar quality to neural network models. However, additional and valuable knowledge hidden in the formulation database was extracted from these equations. It is concluded that, as a transparent technology, model trees are useful tools to formulators.

  10. Evaluation of soy-based surface active copolymers as surfactant ingredients in model shampoo formulations.

    Science.gov (United States)

    Popadyuk, A; Kalita, H; Chisholm, B J; Voronov, A

    2014-12-01

    A new non-toxic soybean oil-based polymeric surfactant (SBPS) for personal-care products was developed and extensively characterized, including an evaluation of the polymeric surfactant performance in model shampoo formulations. To experimentally assure applicability of the soy-based macromolecules in shampoos, either in combination with common anionic surfactants (in this study, sodium lauryl sulfate, SLS) or as a single surface-active ingredient, the testing of SBPS physicochemical properties, performance and visual assessment of SBPS-based model shampoos was carried out. The results obtained, including foaming and cleaning ability of model formulations, were compared to those with only SLS as a surfactant as well as to SLS-free shampoos. Overall, the results show that the presence of SBPS improves cleaning, foaming, and conditioning of model formulations. SBPS-based formulations meet major requirements of multifunctional shampoos - mild detergency, foaming, good conditioning, and aesthetic appeal, which are comparable to commercially available shampoos. In addition, examination of SBPS/SLS mixtures in model shampoos showed that the presence of the SBPS enables the concentration of SLS to be significantly reduced without sacrificing shampoo performance. © 2014 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  11. Reactive decontamination formulation

    Science.gov (United States)

    Giletto, Anthony [College Station, TX; White, William [College Station, TX; Cisar, Alan J [Cypress, TX; Hitchens, G Duncan [Bryan, TX; Fyffe, James [Bryan, TX

    2003-05-27

    The present invention provides a universal decontamination formulation and method for detoxifying chemical warfare agents (CWA's) and biological warfare agents (BWA's) without producing any toxic by-products, as well as, decontaminating surfaces that have come into contact with these agents. The formulation includes a sorbent material or gel, a peroxide source, a peroxide activator, and a compound containing a mixture of KHSO.sub.5, KHSO.sub.4 and K.sub.2 SO.sub.4. The formulation is self-decontaminating and once dried can easily be wiped from the surface being decontaminated. A method for decontaminating a surface exposed to chemical or biological agents is also disclosed.

  12. Modeling geochemical stability of cement formulations for use as shaft liner and sealing components at Yucca Mountain

    International Nuclear Information System (INIS)

    Gardiner, M.A.; Myers, J.; Hinkebein, T.E.

    1990-01-01

    The geochemical modeling codes EQ3NR/EQ6 were used to model the interaction of cementitious materials with ground water from the Yucca Mountain proposed nuclear waste repository site in Nevada. This paper presents a preliminary estimate of the compositional changes caused by these interactions in the ground water and in the cement-based compounds proposed for use as sealing and shaft liner materials at the Yucca Mountain site. The geochemical speciation/solubility/reaction path codes EQ3NR/EQ6 were used to model the interaction of cementitious materials and water. Interaction of water with a cementitious material will result in dissolution of certain cement phases and changes in the water chemistry. These changes in the water chemistry may further lead to the precipitation of minerals either in the concrete or in the surrounding tuff at the Yucca Mountain Site (YMS). As part of a larger scoping study, a range of water, cement, and tuff compositions, temperatures, and reaction path modes were used. This paper presents a subset of that study by considering the interaction of three different cement formulations at 25 degree C with J-13 water using the ''closed'' reaction path mode. This subset was chosen as a base case to answer important questions in selecting the compositions of cementitious materials for use in the proposed repository. 8 refs., 1 fig., 3 tabs

  13. A FEM Modeling of the Concrete Pavement Made of the Recycling Material

    Directory of Open Access Journals (Sweden)

    Šešlija Miloš

    2016-01-01

    Full Text Available Paper is a brief review of the research focused on formulation an numerical model for the concrete pavement which is made by the recycling material. For numerical modeling the finite element model (FEM and the 3D finite element model were applied. The software EverFE 2.25, was used. The results of FEM analysis is in a chapter shape showing move value change, strees and deflections for all layers a construction road model. In the next phase of the research was provided by FEM software with appropriate general purpose non-linear models, which allows the analysis of the real behavior of solid pavement under load.

  14. Finite element modeling of deposition of ceramic material during SLM additive manufacturing

    Directory of Open Access Journals (Sweden)

    Chen Qiang

    2016-01-01

    Full Text Available A three dimensional model for material deposition in Selective Laser Melting (SLM with application to Al2O3-ZrO2 eutectic ceramic is presented. As the material is transparent to laser, dopants are added to increase the heat absorption efficiency. Based on Beer-Lambert law, a volumetric heat source model taking into account the material absorption is derived. The Level Set method with multiphase homogenization is used to track the shape of deposed bead and the thermodynamic is coupled to calculate the melting-solidification path. The shrinkage during consolidation from powder to compact medium is modeled by a compressible Newtonian constitutive law. A semi-implicit formulation of surface tension is used, which permits a stable resolution to capture the gas-liquid interface. The formation of droplets is obtained and slight waves of melt pool are observed. The influence of different process parameters on temperature distribution, melt pool profiles and bead shapes is discussed.

  15. Baseline LAW Glass Formulation Testing

    International Nuclear Information System (INIS)

    Kruger, Albert A.; Mooers, Cavin; Bazemore, Gina; Pegg, Ian L.; Hight, Kenneth; Lai, Shan Tao; Buechele, Andrew; Rielley, Elizabeth; Gan, Hao; Muller, Isabelle S.; Cecil, Richard

    2013-01-01

    The major objective of the baseline glass formulation work was to develop and select glass formulations that are compliant with contractual and processing requirements for each of the LAW waste streams. Other objectives of the work included preparation and characterization of glasses with respect to the properties of interest, optimization of sulfate loading in the glasses, evaluation of ability to achieve waste loading limits, testing to demonstrate compatibility of glass melts with melter materials of construction, development of glass formulations to support ILAW qualification activities, and identification of glass formulation issues with respect to contract specifications and processing requirements

  16. An Eulerian-Lagrangian finite-element method for modeling crack growth in creeping materials

    International Nuclear Information System (INIS)

    Lee Hae Sung.

    1991-01-01

    This study is concerned with the development of finite-element-solution methods for analysis of quasi-static, ductile crack growth in history-dependent materials. The mixed Eulerian-Langrangian description (ELD) kinematic model is shown to have several desirable properties for modeling inelastic crack growth. Accordingly, a variational statement based on the ELD for history-dependent materials is developed, and a new moving-grid finite-element method based on the variational statement is presented. The moving-grid finite-element method based on the variational statement is presented. The moving-grid finite-element method is applied to the analysis of transient, quasi-static, mode-III crack growth in creeping materials. A generalized Petrov-Galerkin method (GPG) is developed that simultaneously stabilizes the statement to admit L 2 basis functions for the nonlinear strain field. Quasi-static, model-III crack growth in creeping materials under small-scale-yielding (SSY) conditions is considered. The GPG/ELD moving-grid finite-element formulation is used to model a transient crack-growth problem. The GPG/ELD results compare favorably with previously-published numerical results and the asymptotic solutions

  17. A New Material Constitutive Model for Predicting Cladding Failure

    Energy Technology Data Exchange (ETDEWEB)

    Rashid, Joe; Dunham, Robert [ANATECH Corp., San Diego, CA (United States); Rashid, Mark [University of California Davis, Davis, CA (United States); Machiels, Albert [EPRI, Palo Alto, CA (United States)

    2009-06-15

    An important issue in fuel performance and safety evaluations is the characterization of the effects of hydrides on cladding mechanical response and failure behavior. The hydride structure formed during power operation transforms the cladding into a complex multi-material composite, with through-thickness concentration profile that causes cladding ductility to vary by more than an order of magnitude between ID and OD. However, current practice of mechanical property testing treats the cladding as a homogeneous material characterized by a single stress-strain curve, regardless of its hydride morphology. Consequently, as irradiation conditions and hydrides evolution change, new material property testing is required, which results in a state of continuous need for valid material property data. A recently developed constitutive model, treats the cladding as a multi-material composite in which the metal and the hydride platelets are treated as separate material phases with their own elastic-plastic and fracture properties and interacting at their interfaces with appropriate constraint conditions between them to ensure strain and stress compatibility. An essential feature of the model is a multi-phase damage formulation that models the complex interaction between the hydride phases and the metal matrix and the coupled effect of radial and circumferential hydrides on cladding stress-strain response. This gives the model the capability of directly predicting cladding failure progression during the loading event and, as such, provides a unique tool for constructing failure criteria analytically where none could be developed by conventional material testing. Implementation of the model in a fuel behavior code provides the capability to predict in-reactor operational failures due to PCI or missing pellet surfaces (MPS) without having to rely on failure criteria. Even, a stronger motivation for use of the model is in the transportation accidents analysis of spent fuel

  18. A hybrid formulation for the numerical simulation of condensed phase explosives

    Science.gov (United States)

    Michael, L.; Nikiforakis, N.

    2016-07-01

    In this article we present a new formulation and an associated numerical algorithm, for the simulation of combustion and transition to detonation of condensed-phase commercial- and military-grade explosives, which are confined by (or in general interacting with one or more) compliant inert materials. Examples include confined rate-stick problems and interaction of shock waves with gas cavities or solid particles in explosives. This formulation is based on an augmented Euler approach to account for the mixture of the explosive and its products, and a multi-phase diffuse interface approach to solve for the immiscible interaction between the mixture and the inert materials, so it is in essence a hybrid (augmented Euler and multi-phase) model. As such, it has many of the desirable features of the two approaches and, critically for our applications of interest, it provides the accurate recovery of temperature fields across all components. Moreover, it conveys a lot more physical information than augmented Euler, without the complexity of full multi-phase Baer-Nunziato-type models or the lack of robustness of augmented Euler models in the presence of more than two components. The model can sustain large density differences across material interfaces without the presence of spurious oscillations in velocity and pressure, and it can accommodate realistic equations of state and arbitrary (pressure- or temperature-based) reaction-rate laws. Under certain conditions, we show that the formulation reduces to well-known augmented Euler or multi-phase models, which have been extensively validated and used in practice. The full hybrid model and its reduced forms are validated against problems with exact (or independently-verified numerical) solutions and evaluated for robustness for rate-stick and shock-induced cavity collapse case-studies.

  19. Algebraic formulation of collective models. I. The mass quadrupole collective model

    International Nuclear Information System (INIS)

    Rosensteel, G.; Rowe, D.J.

    1979-01-01

    This paper is the first in a series of three which together present a microscopic formulation of the Bohr--Mottelson (BM) collective model of the nucleus. In this article the mass quadrupole collective (MQC) model is defined and shown to be a generalization of the BM model. The MQC model eliminates the small oscillation assumption of BM and also yields the rotational and CM (3) submodels by holonomic constraints on the MQC configuration space. In addition, the MQC model is demonstrated to be an algebraic model, so that the state space of the MQC model carries an irrep of a Lie algebra of microscopic observables, the MQC algebra. An infinite class of new collective models is then given by the various inequivalent irreps of this algebra. A microscopic embedding of the BM model is achieved by decomposing the representation of the MQC algebra on many-particle state space into its irreducible components. In the second paper this decomposition is studied in detail. The third paper presents the symplectic model, which provides the realization of the collective model in the harmonic oscillator shell model

  20. A Simple FEM Formulation Applied to Nonlinear Problems of Impact with Thermomechanical Coupling

    Directory of Open Access Journals (Sweden)

    João Paulo de Barros Cavalcante

    Full Text Available Abstract The thermal effects of problems involving deformable structures are essential to describe the behavior of materials in feasible terms. Verifying the transformation of mechanical energy into heat it is possible to predict the modifications of mechanical properties of materials due to its temperature changes. The current paper presents the numerical development of a finite element method suitable for nonlinear structures coupled with thermomechanical behavior; including impact problems. A simple and effective alternative formulation is presented, called FEM positional, to deal with the dynamic nonlinear systems. The developed numerical is based on the minimum potential energy written in terms of nodal positions instead of displacements. The effects of geometrical, material and thermal nonlinearities are considered. The thermodynamically consistent formulation is based on the laws of thermodynamics and the Helmholtz free-energy, used to describe the thermoelastic and the thermoplastic behaviors. The coupled thermomechanical model can result in secondary effects that cause redistributions of internal efforts, depending on the history of deformation and material properties. The numerical results of the proposed formulation are compared with examples found in the literature.

  1. Degradation theories of concrete and development of a new deviatoric model in incremental tangent formulation: limit analysis applied to case of anchor bolts embedded in concrete

    International Nuclear Information System (INIS)

    Ung Quoc, H.

    2003-12-01

    This research is achieved in the general framework of the study of the concrete behaviour. It has for objective the development of a new behaviour model satisfying to the particular requirements for an industrial exploitation. After the analysis of different existent models, a first development has concerned models based on the smeared crack theory. A new formulation of the theory permitted to overcome the stress locking problem. However, the analysis showed the persistence of some limits inert to this approach in spite of this improvement. Then, an analysis of the physical mechanisms of the concrete degradation has been achieved and permitted to develop the new damage model MODEV. The general formulation of this model is based on the theory of the thermodynamics and applied to the case of the heterogeneous and brittle materials. The MODEV model considers two damage mechanisms: extension and sliding. The model considers also that the relative tangent displacement between microcracks lips is responsible of the strain irreversibility. Thus, the rate of inelastic strain becomes function of the damage and the heterogeneity index of the material. The unilateral effect is taken in account as an elastic hardening or softening process according to re-closing or reopening of cracks. The model is written within the framework of non standard generalised materials in incremental tangent formulation and implemented in the general finite element code SYMPHONIE. The validation of the model has been achieved on the basis of several tests issued from the literature. The second part of this research has concerned the development of the CHEVILAB software. This simulation tool based on the limit analysis approach permit the evaluation of the ultimate load capacity of anchors bolts. The kinematics approach of the limit analysis has been adapted to the problem of anchors while considering several specific failure mechanisms. This approach has been validated then by comparison with the

  2. Formulation of Sustained-Release Diltiazem Matrix Tablets Using ...

    African Journals Online (AJOL)

    Erah

    surface, their drug release behavior appears simple, but ... matrix material for the formulation of ..... formulation F5 (,) and reference formulations. ( , □). 0. 50. 100. 150. 200. 250. 300. 0. 3. 6 .... Coviello T, Matricardi P, Marianecci C, Alhaique F.

  3. Precipitation in Powder Metallurgy, Nickel Base Superalloys: Review of Modeling Approach and Formulation of Engineering (Postprint)

    Science.gov (United States)

    2016-12-01

    AFRL-RX-WP-JA-2016-0333 PRECIPITATION IN POWDER- METALLURGY , NICKEL-BASE SUPERALLOYS: REVIEW OF MODELING APPROACH AND FORMULATION OF...PRECIPITATION IN POWDER- METALLURGY , NICKEL- BASE SUPERALLOYS: REVIEW OF MODELING APPROACH AND FORMULATION OF ENGINEERING (POSTPRINT) 5a...and kinetic parameters required for the modeling of γ′ precipitation in powder- metallurgy (PM), nickel-base superalloys are summarized. These

  4. An implicit tensorial gradient plasticity model - formulation and comparison with a scalar gradient model

    NARCIS (Netherlands)

    Poh, L.H.; Peerlings, R.H.J.; Geers, M.G.D.; Swaddiwudhipong, S.

    2011-01-01

    Many rate-independent models for metals utilize the gradient of effective plastic strain to capture size-dependent behavior. This enhancement, sometimes termed as "explicit" gradient formulation, requires higher-order tractions to be imposed on the evolving elasto-plastic boundary and the resulting

  5. Analysis and Characterization of Damage Utilizing an Orthotropic Generalized Composite Material Model Suitable for Use in Impact Problems

    Science.gov (United States)

    Goldberg, Robert K.; Carney, Kelly S.; DuBois, Paul; Hoffarth, Canio; Rajan, Subramaniam; Blankenhorn, Gunther

    2016-01-01

    The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased usage in the aerospace and automotive communities. In order to address a series of issues identified by the aerospace community as being desirable to include in a next generation composite impact model, an orthotropic, macroscopic constitutive model incorporating both plasticity and damage suitable for implementation within the commercial LS-DYNA computer code is being developed. The plasticity model is based on extending the Tsai-Wu composite failure model into a strain hardening-based orthotropic plasticity model with a non-associative flow rule. The evolution of the yield surface is determined based on tabulated stress-strain curves in the various normal and shear directions and is tracked using the effective plastic strain. To compute the evolution of damage, a strain equivalent semi-coupled formulation is used in which a load in one direction results in a stiffness reduction in multiple material coordinate directions. A detailed analysis is carried out to ensure that the strain equivalence assumption is appropriate for the derived plasticity and damage formulations that are employed in the current model. Procedures to develop the appropriate input curves for the damage model are presented and the process required to develop an appropriate characterization test matrix is discussed

  6. Modeling the behaviour of shape memory materials under large deformations

    Science.gov (United States)

    Rogovoy, A. A.; Stolbova, O. S.

    2017-06-01

    In this study, the models describing the behavior of shape memory alloys, ferromagnetic materials and polymers have been constructed, using a formalized approach to develop the constitutive equations for complex media under large deformations. The kinematic and constitutive equations, satisfying the principles of thermodynamics and objectivity, have been derived. The application of the Galerkin procedure to the systems of equations of solid mechanics allowed us to obtain the Lagrange variational equation and variational formulation of the magnetostatics problems. These relations have been tested in the context of the problems of finite deformation in shape memory alloys and ferromagnetic materials during forward and reverse martensitic transformations and in shape memory polymers during forward and reverse relaxation transitions from a highly elastic to a glassy state.

  7. Development and validation of a new LBM-MRT hybrid model with enthalpy formulation for melting with natural convection

    Energy Technology Data Exchange (ETDEWEB)

    Miranda Fuentes, Johann [Université de Lyon, CNRS, UMR5008, F-69622 Villeurbanne (France); INSA-Lyon, CETHIL, F-69621 Villeurbanne (France); Kuznik, Frédéric, E-mail: frederic.kuznik@insa-lyon.fr [Université de Lyon, CNRS, UMR5008, F-69622 Villeurbanne (France); INSA-Lyon, CETHIL, F-69621 Villeurbanne (France); Johannes, Kévyn; Virgone, Joseph [Université de Lyon, CNRS, UMR5008, F-69622 Villeurbanne (France); Université Lyon 1, CETHIL, F-69622 Villeurbanne (France)

    2014-01-17

    This article presents a new model to simulate melting with natural convection of a phase change material. For the phase change problem, the enthalpy formulation is used. Energy equation is solved by a finite difference method, whereas the fluid flow is solved by the multiple relaxation time (MRT) lattice Boltzmann method. The model is first verified and validated using the data from the literature. Then, the model is applied to a tall brick filled with a fatty acid eutectic mixture and the results are presented. The main results are (1) the spatial convergence rate is of second order, (2) the new model is validated against data from the literature and (3) the natural convection plays an important role in the melting process of the fatty acid mixture considered in our work.

  8. A novel nasal powder formulation of glucagon: toxicology studies in animal models

    OpenAIRE

    Reno, Frederick E.; Normand, Patrick; McInally, Kevin; Silo, Sherwin; Stotland, Patricia; Triest, Myriam; Carballo, Dolores; Pich?, Claude

    2015-01-01

    Background Glucagon nasal powder (GNP), a novel intranasal formulation of glucagon being developed to treat insulin-induced severe hypoglycemia, contains synthetic glucagon (10?% w/w), beta-cyclodextrin, and dodecylphosphocholine. The safety of this formulation was evaluated in four studies in animal models. Methods The first study evaluated 28-day sub-chronic toxicology in rats treated intranasally with 1 and 2?mg of GNP/day (0.1 and 0.2?mg glucagon/rat/day). The second study evaluated 28-da...

  9. Perfume formulation: words and chats.

    Science.gov (United States)

    Ellena, Céline

    2008-06-01

    What does it mean to create fragrances with materials from chemistry and/or from nature? How are they used to display their characteristic differences, their own personality? Is it easier to create with synthetic raw materials or with essential oils? This review explains why a perfume formulation corresponds in fact to a conversation, an interplay between synthetic and natural perfumery materials. A synthetic raw material carries a single information, and usually is very linear. Its smell is uniform, clear, and faithful. Natural raw materials, on the contrary, provide a strong, complex and generous image. While a synthetic material can be seen as a single word, a natural one such as rose oil could be compared to chatting: cold, warm, sticky, heavy, transparent, pepper, green, metallic, smooth, watery, fruity... full of information. Yet, if a very small amount of the natural material is used, nothing happens, the fragrance will not change. However, if a large amount is used, the rose oil will swallow up everything else. The fragrance will smell of nothing else except rose! To formulate a perfume is not to create a culinary recipe, with only dosing the ingredients in well-balanced amounts. To formulate rather means to flexibly knit materials together with a lively stitch, meeting or repelling each other, building a pleasant form, which is neither fixed, nor solid, nor rigid. A fragrance has an overall structure, which ranges from a clear sound, made up of stable, unique, and linear items, to a background chat, comfortable and reassuring. But that does, of course, not mean that there is only one way of creating a fragrance!

  10. Novel Formulations for Antimicrobial Peptides

    Directory of Open Access Journals (Sweden)

    Ana Maria Carmona-Ribeiro

    2014-10-01

    Full Text Available Peptides in general hold much promise as a major ingredient in novel supramolecular assemblies. They may become essential in vaccine design, antimicrobial chemotherapy, cancer immunotherapy, food preservation, organs transplants, design of novel materials for dentistry, formulations against diabetes and other important strategical applications. This review discusses how novel formulations may improve the therapeutic index of antimicrobial peptides by protecting their activity and improving their bioavailability. The diversity of novel formulations using lipids, liposomes, nanoparticles, polymers, micelles, etc., within the limits of nanotechnology may also provide novel applications going beyond antimicrobial chemotherapy.

  11. Novel Formulations for Antimicrobial Peptides

    Science.gov (United States)

    Carmona-Ribeiro, Ana Maria; Carrasco, Letícia Dias de Melo

    2014-01-01

    Peptides in general hold much promise as a major ingredient in novel supramolecular assemblies. They may become essential in vaccine design, antimicrobial chemotherapy, cancer immunotherapy, food preservation, organs transplants, design of novel materials for dentistry, formulations against diabetes and other important strategical applications. This review discusses how novel formulations may improve the therapeutic index of antimicrobial peptides by protecting their activity and improving their bioavailability. The diversity of novel formulations using lipids, liposomes, nanoparticles, polymers, micelles, etc., within the limits of nanotechnology may also provide novel applications going beyond antimicrobial chemotherapy. PMID:25302615

  12. Thickness determination in textile material design: dynamic modeling and numerical algorithms

    International Nuclear Information System (INIS)

    Xu, Dinghua; Ge, Meibao

    2012-01-01

    Textile material design is of paramount importance in the study of functional clothing design. It is therefore important to determine the dynamic heat and moisture transfer characteristics in the human body–clothing–environment system, which directly determine the heat–moisture comfort level of the human body. Based on a model of dynamic heat and moisture transfer with condensation in porous fabric at low temperature, this paper presents a new inverse problem of textile thickness determination (IPTTD). Adopting the idea of the least-squares method, we formulate the IPTTD into a function minimization problem. By means of the finite-difference method, quasi-solution method and direct search method for one-dimensional minimization problems, we construct iterative algorithms of the approximated solution for the IPTTD. Numerical simulation results validate the formulation of the IPTTD and demonstrate the effectiveness of the proposed numerical algorithms. (paper)

  13. Materials Informatics: Statistical Modeling in Material Science.

    Science.gov (United States)

    Yosipof, Abraham; Shimanovich, Klimentiy; Senderowitz, Hanoch

    2016-12-01

    Material informatics is engaged with the application of informatic principles to materials science in order to assist in the discovery and development of new materials. Central to the field is the application of data mining techniques and in particular machine learning approaches, often referred to as Quantitative Structure Activity Relationship (QSAR) modeling, to derive predictive models for a variety of materials-related "activities". Such models can accelerate the development of new materials with favorable properties and provide insight into the factors governing these properties. Here we provide a comparison between medicinal chemistry/drug design and materials-related QSAR modeling and highlight the importance of developing new, materials-specific descriptors. We survey some of the most recent QSAR models developed in materials science with focus on energetic materials and on solar cells. Finally we present new examples of material-informatic analyses of solar cells libraries produced from metal oxides using combinatorial material synthesis. Different analyses lead to interesting physical insights as well as to the design of new cells with potentially improved photovoltaic parameters. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Operator formulation of the droplet model

    International Nuclear Information System (INIS)

    Lee, B.W.

    1987-01-01

    We study in detail the implications of the operator formulation of the droplet model. The picture of high-energy scattering that emerges from this model attributed the interaction between two colliding particles at high energies to an instantaneous, multiple exchange between two extended charge distributions. Thus the study of charge correlation functions becomes the most important problem in the droplet model. We find that in order for the elastic cross section to have a finite limit at infinite energy, the charge must be a conserved one. In quantum electrodynamics the charge in question is the electric charge. In hadronic physics, we conjecture, it is the baryonic charge. Various arguments for and implications of this hypothesis are presented. We study formal properties of the charge correlation functions that follow from microcausality, T, C, P invariances, and charge conservation. Perturbation expansion of the correlation functions is studied, and their cluster properties are deduced. A cluster expansion of the high-energy T matrix is developed, and the exponentiation of the interaction potential in this scheme is noted. The operator droplet model is put to the test of reproducing the high-energy limit of elastic scattering quantum electrodynamics found by Cheng and Wu in perturbation theory. We find that the droplet model reproduces exactly the results of Cheng and Wu as to the impact factor. In fact, the ''impact picture'' of Cheng and Wu is completely equivalent to the droplet model in the operator version. An appraisal is made of the possible limitation of the model. (author). 13 refs

  15. Formulation and evaluation of fast dissolving tablets of cinnarizine using superdisintegrant blends and subliming material

    Directory of Open Access Journals (Sweden)

    Biswajit Basu

    2011-01-01

    Full Text Available The aim of this investigation was to develop fast dissolving tablet of cinnarizine. A combination of super disintegrants, i.e., sodium starch glycolate (SSG and crosscarmellose sodium (CCS were used along with camphor as a subliming material. An optimized concentration of camphor was added to aid the porosity of the tablet. A 3 2 full factorial design was applied to investigate the combined effect of two formulation variables: Amount of SSG and CCS. Infrared (IR spectroscopy was performed to identify the physicochemical interaction between drug and polymer. IR spectroscopy showed that there is no interaction of drug with polymer. In the present study, direct compression was used to prepare the tablets. The powder mixtures were compressed into tablet using flat face multi punch tablet machine. Camphor was sublimed from the tablet by exposing the tablet to vacuum drier at 60°C for 12 hours. All the formulations were evaluated for their characteristics such as average weight, hardness, wetting time, friability, content uniformity, dispersion time (DT, and dissolution rate. An optimized tablet formulation (F 9 was found to have good hardness of 3.30 ± 0.10 kg/cm 2 , wetting time of 42.33 ± 4.04 seconds, DT of 34.67 ± 1.53 seconds, and cumulative drug release of not less than 99% in 16 minutes.

  16. Degradation theories of concrete and development of a new deviatoric model in incremental tangent formulation: limit analysis applied to case of anchor bolts embedded in concrete; Theorie de degradation du beton et developpement d'un nouveau modele d'endommagement en formulation incrementale tangente: calcul a la rupture applique au cas des chevilles de fixation ancrees dans le beton

    Energy Technology Data Exchange (ETDEWEB)

    Ung Quoc, H

    2003-12-15

    This research is achieved in the general framework of the study of the concrete behaviour. It has for objective the development of a new behaviour model satisfying to the particular requirements for an industrial exploitation. After the analysis of different existent models, a first development has concerned models based on the smeared crack theory. A new formulation of the theory permitted to overcome the stress locking problem. However, the analysis showed the persistence of some limits inert to this approach in spite of this improvement. Then, an analysis of the physical mechanisms of the concrete degradation has been achieved and permitted to develop the new damage model MODEV. The general formulation of this model is based on the theory of the thermodynamics and applied to the case of the heterogeneous and brittle materials. The MODEV model considers two damage mechanisms: extension and sliding. The model considers also that the relative tangent displacement between microcracks lips is responsible of the strain irreversibility. Thus, the rate of inelastic strain becomes function of the damage and the heterogeneity index of the material. The unilateral effect is taken in account as an elastic hardening or softening process according to re-closing or reopening of cracks. The model is written within the framework of non standard generalised materials in incremental tangent formulation and implemented in the general finite element code SYMPHONIE. The validation of the model has been achieved on the basis of several tests issued from the literature. The second part of this research has concerned the development of the CHEVILAB software. This simulation tool based on the limit analysis approach permit the evaluation of the ultimate load capacity of anchors bolts. The kinematics approach of the limit analysis has been adapted to the problem of anchors while considering several specific failure mechanisms. This approach has been validated then by comparison with the

  17. Formulation of Generic Simulation Models for Analyzing Construction Claims

    Directory of Open Access Journals (Sweden)

    Rifat Rustom

    2012-11-01

    Full Text Available While there are several techniques for analyzing the impact of claims on time schedule and productivity,very few are considered adequate and comprehensive to consider risks and uncertainties.A generic approach for claims analysis using simulation is proposed. The formulation of the generic methodology presented in this paper depends on three simulation models;As-Planned Model (APM,As-Built Model (ABM, and What-Would-HaveBeenModel(WWHBM. The proposed generic methodology as presented in this paper provides a good basis as a more elaborate approach to better analyze claims and their impacts on project time and productivity utilizing discrete event simulation.The approach proposed allows for scenario analysis to account for the disputed events and workflow disruptions. The proposed models will assist claimants in presenting their cases effectively and professionally.

  18. Computer modelling of high-temperature superconductors using an A-V formulation

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz-Alonso, D; Coombs, T; Campbell, A M [Cambridge University Engineering Department, Trumpington Street, Cambridge, CB2 1PZ (United Kingdom)

    2004-05-01

    Numerical methods for calculating the current and field distribution in high-temperature superconductors under non-uniform time-varying fields are being investigated. The highly non-linear behaviour of superconductors makes them difficult to analyse and computationally expensive. This non-linear behaviour is often accounted for through a non-linear E-J constitutive law. This paper proposes a fast method based on the finite element method to solve 2D and axially symmetric problems that contain superconducting materials. An E-J power law together with an A-V formulation is used to calculate the induction of currents in the superconductor due to time-varying external magnetic fields or forced transport current. Experimental data of a magnet-above-superconductor system is obtained in order to validate the model. In the experimental set-up a magnet is brought towards a superconducting puck at different speed rates and is also vibrated on top of it. The force between the magnet and the superconductor is measured and is found to vary with both time and frequency of excitation.

  19. Computer modelling of high-temperature superconductors using an A-V formulation

    International Nuclear Information System (INIS)

    Ruiz-Alonso, D; Coombs, T; Campbell, A M

    2004-01-01

    Numerical methods for calculating the current and field distribution in high-temperature superconductors under non-uniform time-varying fields are being investigated. The highly non-linear behaviour of superconductors makes them difficult to analyse and computationally expensive. This non-linear behaviour is often accounted for through a non-linear E-J constitutive law. This paper proposes a fast method based on the finite element method to solve 2D and axially symmetric problems that contain superconducting materials. An E-J power law together with an A-V formulation is used to calculate the induction of currents in the superconductor due to time-varying external magnetic fields or forced transport current. Experimental data of a magnet-above-superconductor system is obtained in order to validate the model. In the experimental set-up a magnet is brought towards a superconducting puck at different speed rates and is also vibrated on top of it. The force between the magnet and the superconductor is measured and is found to vary with both time and frequency of excitation

  20. Formulation development for PREPP concreted waste forms

    International Nuclear Information System (INIS)

    Neilson, R.M. Jr.; Welch, J.M.

    1984-05-01

    Analysis of variance and logistic regression techniques have been used to develop models describing the effects of formulation variables and their interactions on compressive strength, solidification, free-standing water, and workability of hydraulic cement grouts incorporating simulated Process Experimental Pilot Plant (PREPP) wastes. These models provide the basis for specifications of grout formulations to solidify these wastes. The experimental test matrix, formulation preparation, and test methods employed are described. The development of analytical models for formulation behavior and the conclusions drawn regarding appropriate formulation variable ranges are discussed. 13 references, 9 figures, 15 tables

  1. Peridynamic Formulation for Coupled Thermoelectric Phenomena

    Directory of Open Access Journals (Sweden)

    Migbar Assefa

    2017-01-01

    Full Text Available Modeling of heat and electrical current flow simultaneously in thermoelectric convertor using classical theories do not consider the influence of defects in the material. This is because traditional methods are developed based on partial differential equations (PDEs and lead to infinite fluxes at the discontinuities. The usual way of solving such PDEs is by using numerical technique, like Finite Element Method (FEM. Although FEM is robust and versatile, it is not suitable to model evolving discontinuities. To avoid such shortcomings, we propose the concept of peridynamic theory to derive the balance of energy and charge equations in the coupled thermoelectric phenomena. Therefore, this paper presents the transport of heat and charge in thermoelectric material in the framework of peridynamic (PD theory. To illustrate the reliability of the PD formulation, numerical examples are presented and results are compared with those from literature, analytical solutions, or finite element solutions.

  2. Model building in the free-fermionic formulation of superstrings

    International Nuclear Information System (INIS)

    Dreiner, H.K.

    1989-01-01

    In this thesis the author presents results in the free fermionic formulation of string theory in four space-time dimensions as presented by I. Antoniadis and C. Bachas. First he discusses how to build N = 1 space-time supersymmetric models. He also uses the low-energy requirements of N = 1 space-time supersymmetry as well as chiral space-time fermions to show that the spectrum does not contain any massless scalar fields which transform under the adjoint representation of the gauge group. He also discusses the consequences of these results for model building efforts. In Chapter 1 and 2 he introduces the concepts of string theory as well as the notation which he will be using throughout the following chapters. In Chapter 3 he reviews the free fermionic formulation of string theory as presented by [AB] including the rules for model building. He first classifies all the possible single boundary conditions for the free fermionic fields in the theory and then classifies the cases for which two or more distinct boundary conditions are compatible. In Chapter 4 he uses the rules from Chapter 3 to construct several toy models, which show what possible gauge groups can arise in the theory and how they can be constructed. In Chapter 5 he uses the classification of the boundary conditions for the fermionic fields to classify all the models with N = 4 spacetime supersymmetry. He then discusses the different possibilities to obtain models with N = 2, 1, and 0 spacetime supersymmetry. He shows that the requirement of N = 1 spacetime supersymmetry severely restricts the allowed constructions of the world-sheet supercharge. In Chapter 6 he proves, using the requirement of N = 1 space-time supersymmetry, that the spectrum does not contain any massless scalar fields transforming as the adjoint representation of the gauge group

  3. Spasmolytic effect of traditional herbal formulation on guinea pig ileum

    Directory of Open Access Journals (Sweden)

    Dushyant Kumar

    2015-01-01

    Full Text Available Background: The herbal formulation consisting of Andrographis paniculata Nees., Cassia fistula L., Foeniculum vulgare Mill. and Cuminum cyminum L. is widely used by the local traditional practitioners in rural Northern Karnataka for spasmodic abdominal pain. Objective: The present study was undertaken to evaluate safety and spasmolytic effect of poly-herbal formulation. Materials and Methods: Acute toxicity studies were carried out in Swiss mice, as per the Organization for Economic Co-operation and Development (OECD guidelines. The spasmolytic activity of the formulation was studied in isolated guinea pig ileum model using histamine and acetylcholine as agonists. The data were analyzed by one-way ANOVA, followed by Dunnetts post-hoc test and P ≤ 0.05 was considered as significant. Results: The formulation did not show any adverse toxic effects and found to be safe. It also showed significant (P < 0.05 relaxation in different agonist like histamine and acetylcholine-induced contractions in guinea pig ileum. Conclusions: Antispasmodic activity of the herbal formulation can be attributed to its atropine-like activity. The present findings, therefore, support its utility in spasmodic abdominal pain.

  4. Controlled-release tablet formulation of isoniazid.

    Science.gov (United States)

    Jain, N K; Kulkarni, K; Talwar, N

    1992-04-01

    Guar (GG) and Karaya gums (KG) alone and in combination with hydroxy-propylmethylcellulose (HPMC) were evaluated as release retarding materials to formulate a controlled-release tablet dosage form of isoniazid (1). In vitro release of 1 from tablets followed non-Fickian release profile with rapid initial release. Urinary excretion studies in normal subjects showed steady-state levels of 1 for 13 h. In vitro and in vivo data correlated (r = 0.9794). The studies suggested the potentiality of GG and KG as release retarding materials in formulating controlled-release tablet dosage forms of 1.

  5. Prednisone raw material characterization and formulation development

    OpenAIRE

    Leonardo Henrique Toehwé; Livia Deris Prado; Helvécio Vinícius Antunes Rocha

    2018-01-01

    ABSTRACT Solid dosage forms for oral use, particularly tablets, are the most highly used dosage forms in therapy because they are easily administered, have high productivity and relatively low cost and provide a more stable drug to form a semi-solid net. Numerous parameters influence the quality of the final dosage form. In this study, the dissolution profile of 20-mg prednisone tablets bioequivalent to the reference product and three test formulations were evaluated using stability testing. ...

  6. A Practical Framework Toward Prediction of Breaking Force and Disintegration of Tablet Formulations Using Machine Learning Tools.

    Science.gov (United States)

    Akseli, Ilgaz; Xie, Jingjin; Schultz, Leon; Ladyzhynsky, Nadia; Bramante, Tommasina; He, Xiaorong; Deanne, Rich; Horspool, Keith R; Schwabe, Robert

    2017-01-01

    Enabling the paradigm of quality by design requires the ability to quantitatively correlate material properties and process variables to measureable product performance attributes. Conventional, quality-by-test methods for determining tablet breaking force and disintegration time usually involve destructive tests, which consume significant amount of time and labor and provide limited information. Recent advances in material characterization, statistical analysis, and machine learning have provided multiple tools that have the potential to develop nondestructive, fast, and accurate approaches in drug product development. In this work, a methodology to predict the breaking force and disintegration time of tablet formulations using nondestructive ultrasonics and machine learning tools was developed. The input variables to the model include intrinsic properties of formulation and extrinsic process variables influencing the tablet during manufacturing. The model has been applied to predict breaking force and disintegration time using small quantities of active pharmaceutical ingredient and prototype formulation designs. The novel approach presented is a step forward toward rational design of a robust drug product based on insight into the performance of common materials during formulation and process development. It may also help expedite drug product development timeline and reduce active pharmaceutical ingredient usage while improving efficiency of the overall process. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  7. Modelling population dynamics model formulation, fitting and assessment using state-space methods

    CERN Document Server

    Newman, K B; Morgan, B J T; King, R; Borchers, D L; Cole, D J; Besbeas, P; Gimenez, O; Thomas, L

    2014-01-01

    This book gives a unifying framework for estimating the abundance of open populations: populations subject to births, deaths and movement, given imperfect measurements or samples of the populations.  The focus is primarily on populations of vertebrates for which dynamics are typically modelled within the framework of an annual cycle, and for which stochastic variability in the demographic processes is usually modest. Discrete-time models are developed in which animals can be assigned to discrete states such as age class, gender, maturity,  population (within a metapopulation), or species (for multi-species models). The book goes well beyond estimation of abundance, allowing inference on underlying population processes such as birth or recruitment, survival and movement. This requires the formulation and fitting of population dynamics models.  The resulting fitted models yield both estimates of abundance and estimates of parameters characterizing the underlying processes.  

  8. In vitro assessment of skin irritation potential of surfactant-based formulations by using a 3-D skin reconstructed tissue model and cytokine response.

    Science.gov (United States)

    Walters, Russel M; Gandolfi, Lisa; Mack, M Catherine; Fevola, Michael; Martin, Katharine; Hamilton, Mathew T; Hilberer, Allison; Barnes, Nicole; Wilt, Nathan; Nash, Jennifer R; Raabe, Hans A; Costin, Gertrude-Emilia

    2016-12-01

    The personal care industry is focused on developing safe, more efficacious, and increasingly milder products, that are routinely undergoing preclinical and clinical testing before becoming available for consumer use on skin. In vitro systems based on skin reconstructed equivalents are now established for the preclinical assessment of product irritation potential and as alternative testing methods to the classic Draize rabbit skin irritation test. We have used the 3-D EpiDerm™ model system to evaluate tissue viability and primary cytokine interleukin-1α release as a way to evaluate the potential dermal irritation of 224 non-ionic, amphoteric and/or anionic surfactant-containing formulations, or individual raw materials. As part of our testing programme, two representative benchmark materials with known clinical skin irritation potential were qualified through repeated testing, for use as references for the skin irritation evaluation of formulations containing new surfactant ingredients. We have established a correlation between the in vitro screening approach and clinical testing, and are continually expanding our database to enhance this correlation. This testing programme integrates the efforts of global manufacturers of personal care products that focus on the development of increasingly milder formulations to be applied to the skin, without the use of animal testing. 2016 FRAME.

  9. Meso-scale modelling of the heat conductivity effect on the shock response of a porous material

    Science.gov (United States)

    Resnyansky, A. D.

    2017-06-01

    Understanding of deformation mechanisms of porous materials under shock compression is important for tailoring material properties at the shock manufacturing of advanced materials from substrate powders and for studying the response of porous materials under shock loading. Numerical set-up of the present work considers a set of solid particles separated by air representing a volume of porous material. Condensed material in the meso-scale set-up is simulated with a viscoelastic rate sensitive material model with heat conduction formulated from the principles of irreversible thermodynamics. The model is implemented in the CTH shock physics code. The meso-scale CTH simulation of the shock loading of the representative volume reveals the mechanism of pore collapse and shows in detail the transition from a high porosity case typical for abnormal Hugoniot response to a moderate porosity case typical for conventional Hugoniot response. Results of the analysis agree with previous analytical considerations and support hypotheses used in the two-phase approach.

  10. Multiscale Modeling of Hydrogen Embrittlement for Multiphase Material

    KAUST Repository

    Al-Jabr, Khalid A.

    2014-05-01

    Hydrogen Embrittlement (HE) is a very common failure mechanism induced crack propagation in materials that are utilized in oil and gas industry structural components and equipment. Considering the prediction of HE behavior, which is suggested in this study, is one technique of monitoring HE of equipment in service. Therefore, multi-scale constitutive models that account for the failure in polycrystalline Body Centered Cubic (BCC) materials due to hydrogen embrittlement are developed. The polycrystalline material is modeled as two-phase materials consisting of a grain interior (GI) phase and a grain boundary (GB) phase. In the first part of this work, the hydrogen concentration in the GI (Cgi) and the GB (Cgb) as well as the hydrogen distribution in each phase, were calculated and modeled by using kinetic regime-A and C, respectively. In the second part of this work, this dissertation captures the adverse effects of hydrogen concentration, in each phase, in micro/meso and macro-scale models on the mechanical behavior of steel; e.g. tensile strength and critical porosity. The models predict the damage mechanisms and the reduction in the ultimate strength profile of a notched, round bar under tension for different hydrogen concentrations as observed in the experimental data available in the literature for steels. Moreover, the study outcomes are supported by the experimental data of the Fractography and HE indices investigation. In addition to the aforementioned continuum model, this work employs the Molecular Dynamics (MD) simulations to provide information regarding bond formulation and breaking. The MD analyses are conducted for both single grain and polycrystalline BCC iron with different amounts of hydrogen and different size of nano-voids. The simulations show that the hydrogen atoms could form the transmission in materials configuration from BCC to FCC (Face Centered Cubic) and HCP (Hexagonal Close Packed). They also suggest the preferred sites of hydrogen for

  11. Application of Metamodels to Identification of Metallic Materials Models

    Directory of Open Access Journals (Sweden)

    Maciej Pietrzyk

    2016-01-01

    Full Text Available Improvement of the efficiency of the inverse analysis (IA for various material tests was the objective of the paper. Flow stress models and microstructure evolution models of various complexity of mathematical formulation were considered. Different types of experiments were performed and the results were used for the identification of models. Sensitivity analysis was performed for all the models and the importance of parameters in these models was evaluated. Metamodels based on artificial neural network were proposed to simulate experiments in the inverse solution. Performed analysis has shown that significant decrease of the computing times could be achieved when metamodels substitute finite element model in the inverse analysis, which is the case in the identification of flow stress models. Application of metamodels gave good results for flow stress models based on closed form equations accounting for an influence of temperature, strain, and strain rate (4 coefficients and additionally for softening due to recrystallization (5 coefficients and for softening and saturation (7 coefficients. Good accuracy and high efficiency of the IA were confirmed. On the contrary, identification of microstructure evolution models, including phase transformation models, did not give noticeable reduction of the computing time.

  12. Accurate modeling and evaluation of microstructures in complex materials

    Science.gov (United States)

    Tahmasebi, Pejman

    2018-02-01

    Accurate characterization of heterogeneous materials is of great importance for different fields of science and engineering. Such a goal can be achieved through imaging. Acquiring three- or two-dimensional images under different conditions is not, however, always plausible. On the other hand, accurate characterization of complex and multiphase materials requires various digital images (I) under different conditions. An ensemble method is presented that can take one single (or a set of) I(s) and stochastically produce several similar models of the given disordered material. The method is based on a successive calculating of a conditional probability by which the initial stochastic models are produced. Then, a graph formulation is utilized for removing unrealistic structures. A distance transform function for the Is with highly connected microstructure and long-range features is considered which results in a new I that is more informative. Reproduction of the I is also considered through a histogram matching approach in an iterative framework. Such an iterative algorithm avoids reproduction of unrealistic structures. Furthermore, a multiscale approach, based on pyramid representation of the large Is, is presented that can produce materials with millions of pixels in a matter of seconds. Finally, the nonstationary systems—those for which the distribution of data varies spatially—are studied using two different methods. The method is tested on several complex and large examples of microstructures. The produced results are all in excellent agreement with the utilized Is and the similarities are quantified using various correlation functions.

  13. Use of a new borate raw material for glaze formulation; Utilizacion de una nueva materia prima boracica para la formulacion de esmaltes

    Energy Technology Data Exchange (ETDEWEB)

    Gomez-Tena, M. P.; Moreno, A.; Bou, E.; Cook, S.; Galindo, M.

    2010-07-01

    The Rio Tinto Minerals company has developed a new borate (E-4972), which can be used in glaze formulation (patent WO 2007/148101). This new borate, synthesised by low-temperature calcination, fundamentally contributes five oxides: silicon oxide (SiO{sub 2}), aluminium oxide (Al{sub 2}O{sub 3}), boron oxide (B{sub 2}O{sub 3}), calcium oxide (CaO), and sodium oxide (Na{sub 2}O), its content in B{sub 2}O{sub 3} being between 10 and 11% by weight. It is largely amorphous, and quartz is the major crystalline phase present. The characteristics of this new borate, such as its low solubility and ability readily to form glassy phase, enable it to be used as a raw material in glaze compositions. Its suitability for glaze formulation has been the result of several years research in collaboration with the Instituto de Tecnologia Ceramica. In this paper, the feasibility has been studied of fabricating ceramic glazes by using a new synthetic borate raw material that contributes boron to the glaze composition without this needing to be done in fritted form. It has been possible to obtain fired glazes with similar technical and aesthetics characteristics to those obtained from industrial glaze compositions that contain typical frits in their compositions, thus enabling glazes to be formulated by using the new synthetic boron raw material. The results obtained show that this new raw material (E-4972) is particularly appropriate for use in producing glazes with low gloss at high temperature. (Author) 15 refs.

  14. Novel Formulations of Phase Change Materials-Epoxy Composites for Thermal Energy Storage.

    Science.gov (United States)

    Arce, Maria Elena; Alvarez Feijoo, Miguel Angel; Suarez Garcia, Andres; Luhrs, Claudia C

    2018-01-26

    This research aimed to evaluate the thermal properties of new formulations of phase change materials (PCMs)-epoxy composites, containing a thickening agent and a thermally conductive phase. The composite specimens produced consisted of composites fabricated using (a) inorganic PCMs (hydrated salts), epoxy resins and aluminum particulates or (b) organic PCM (paraffin), epoxy resins, and copper particles. Differential Scanning Calorimetry (DSC) was used to analyze the thermal behavior of the samples, while hardness measurements were used to determine changes in mechanical properties at diverse PCM and conductive phase loading values. The results indicate that the epoxy matrix can act as a container for the PCM phase without hindering the heat-absorbing behavior of the PCMs employed. Organic PCMs presented reversible phase transformations over multiple cycles, an advantage that was lacking in their inorganic counterparts. The enthalpy of the organic PCM-epoxy specimens increased linearly with the PCM content in the matrix. The use of thickening agents prevented phase segregation issues and allowed the fabrication of specimens containing up to 40% PCM, a loading significantly higher than others reported. The conductive phase seemed to improve the heat transfer and the mechanical properties of the composites when present in low percentages (material at the temperatures employed.

  15. Variational formulation and stability analysis of a three dimensional superelastic model for shape memory alloys

    Science.gov (United States)

    Alessi, Roberto; Pham, Kim

    2016-02-01

    This paper presents a variational framework for the three-dimensional macroscopic modelling of superelastic shape memory alloys in an isothermal setting. Phase transformation is accounted through a unique second order tensorial internal variable, acting as the transformation strain. Postulating the total strain energy density as the sum of a free energy and a dissipated energy, the model depends on two material scalar functions of the norm of the transformation strain and a material scalar constant. Appropriate calibration of these material functions allows to render a wide range of constitutive behaviours including stress-softening and stress-hardening. The quasi-static evolution problem of a domain is formulated in terms of two physical principles based on the total energy of the system: a stability criterion, which selects the local minima of the total energy, and an energy balance condition, which ensures the consistency of the evolution of the total energy with respect to the external loadings. The local phase transformation laws in terms of Kuhn-Tucker relations are deduced from the first-order stability condition and the energy balance condition. The response of the model is illustrated with a numerical traction-torsion test performed on a thin-walled cylinder. Evolutions of homogeneous states are given for proportional and non-proportional loadings. Influence of the stress-hardening/softening properties on the evolution of the transformation domain is emphasized. Finally, in view of an identification process, the issue of stability of homogeneous states in a multi-dimensional setting is answered based on the study of second-order derivative of the total energy. Explicit necessary and sufficient conditions of stability are provided.

  16. Formulation of Hypopigmentation Cream and Evaluation of its Effect on Skin Pigment. Part I: Formulation of the Product

    Directory of Open Access Journals (Sweden)

    Amina Hamed Alobaidi

    2014-01-01

    Full Text Available Melasma is a commonly acquired hypermelanosis of facial skin due to various etiological factors including hormonal imbalance. Although it affects any one is particularly common in women, especially pregnant women and those who taking oral or patch contraceptives or hormone replacement therapy. This research aimed to formulate stable water in oil (w/o cream containing plant extract of Glycyrrhiza glabra as active material obtained by concentrating the alcoholic extract of the plant roots, was entrapped in the inner aqueous phase of w/o cream. Base containing no active material and a formulation containing ethanolic extract of the plant which was prepared in Samarra Drugs Industry laboratories. Samples of base and formulation were stored at different accelerated conditions (8°C, 25°C, 30°C, 40°C, 40°C +75% RH for four weeks to predict the stability of the creams. It was concluded that the formulation was stable chemically and physically over the studied storage conditions and without induction of allergic or contact dermatitis.

  17. Multi-material gate poly-crystalline thin film transistors: Modeling and simulation for an improved gate transport efficiency

    International Nuclear Information System (INIS)

    Sehgal, Amit; Mangla, Tina; Gupta, Mridula; Gupta, R.S.

    2008-01-01

    In this work, a two-dimensional potential distribution formulation is presented for multi-material gate poly-crystalline silicon thin film transistors. The developed formulation incorporates the effects due to traps and grain-boundaries. In short-channel devices, short-channel effects and drain-induced barrier lowering (DIBL) effect exists, and are accounted for in the analysis. The work aims at the reduction of DIBL effect and grain-boundary effects i.e. to reduce the potential barriers generated in the channel by employing gate-engineered structures. A study of work-functions and electrode lengths of multi-material gate electrode is done to suppress the potential barriers, hot electron effect and to improve the carrier transport efficiency. Green's function approach is adopted for the two-dimensional potential solution. The results obtained show a good agreement with simulated results, thus, demonstrating the validity of our model

  18. Worldwide Mycotoxins Exposure in Pig and Poultry Feed Formulations

    Directory of Open Access Journals (Sweden)

    Philippe Guerre

    2016-11-01

    Full Text Available The purpose of this review is to present information about raw materials that can be used in pig and poultry diets and the factors responsible for variations in their mycotoxin contents. The levels of mycotoxins in pig and poultry feeds are calculated based on mycotoxin contamination levels of the raw materials with different diet formulations, to highlight the important role the stage of production and the raw materials used can have on mycotoxins levels in diets. Our analysis focuses on mycotoxins for which maximum tolerated levels or regulatory guidelines exist, and for which sufficient contamination data are available. Raw materials used in feed formulation vary considerably depending on the species of animal, and the stage of production. Mycotoxins are secondary fungal metabolites whose frequency and levels also vary considerably depending on the raw materials used and on the geographic location where they were produced. Although several reviews of existing data and of the literature on worldwide mycotoxin contamination of food and feed are available, the impact of the different raw materials used on feed formulation has not been widely studied.

  19. Worldwide Mycotoxins Exposure in Pig and Poultry Feed Formulations.

    Science.gov (United States)

    Guerre, Philippe

    2016-11-24

    The purpose of this review is to present information about raw materials that can be used in pig and poultry diets and the factors responsible for variations in their mycotoxin contents. The levels of mycotoxins in pig and poultry feeds are calculated based on mycotoxin contamination levels of the raw materials with different diet formulations, to highlight the important role the stage of production and the raw materials used can have on mycotoxins levels in diets. Our analysis focuses on mycotoxins for which maximum tolerated levels or regulatory guidelines exist, and for which sufficient contamination data are available. Raw materials used in feed formulation vary considerably depending on the species of animal, and the stage of production. Mycotoxins are secondary fungal metabolites whose frequency and levels also vary considerably depending on the raw materials used and on the geographic location where they were produced. Although several reviews of existing data and of the literature on worldwide mycotoxin contamination of food and feed are available, the impact of the different raw materials used on feed formulation has not been widely studied.

  20. Flow Formulations for Curriculum-based Course Timetabling

    DEFF Research Database (Denmark)

    Bagger, Niels-Christian Fink; Kristiansen, Simon; Sørensen, Matias

    2017-01-01

    lower bound on one data instance in the benchmark data set from the second international timetabling competition. Regarding upper bounds, the formulation based on the minimum cost flow problem performs better on average than other mixed integer programming approaches for the CTT.......In this paper we present two mixed-integer programming formulations for the Curriculum based Course Timetabling Problem (CTT). We show that the formulations contain underlying network structures by dividing the CTT into two separate models and then connect the two models using flow formulation...... techniques. The first mixed-integer programming formulation is based on an underlying minimum cost flow problem, which decreases the number of integer variables significantly and improves the performance compared to an intuitive mixed-integer programming formulation. The second formulation is based...

  1. Formulation of consumables management models: Mission planning processor payload interface definition

    Science.gov (United States)

    Torian, J. G.

    1977-01-01

    Consumables models required for the mission planning and scheduling function are formulated. The relation of the models to prelaunch, onboard, ground support, and postmission functions for the space transportation systems is established. Analytical models consisting of an orbiter planning processor with consumables data base is developed. A method of recognizing potential constraint violations in both the planning and flight operations functions, and a flight data file storage/retrieval of information over an extended period which interfaces with a flight operations processor for monitoring of the actual flights is presented.

  2. On the formulation, parameter identification and numerical integration of the EMMI model :plasticity and isotropic damage.

    Energy Technology Data Exchange (ETDEWEB)

    Bammann, Douglas J.; Johnson, G. C. (University of California, Berkeley, CA); Marin, Esteban B.; Regueiro, Richard A. (University of Colorado, Boulder, CO)

    2006-01-01

    In this report we present the formulation of the physically-based Evolving Microstructural Model of Inelasticity (EMMI) . The specific version of the model treated here describes the plasticity and isotropic damage of metals as being currently applied to model the ductile failure process in structural components of the W80 program . The formulation of the EMMI constitutive equations is framed in the context of the large deformation kinematics of solids and the thermodynamics of internal state variables . This formulation is focused first on developing the plasticity equations in both the relaxed (unloaded) and current configurations. The equations in the current configuration, expressed in non-dimensional form, are used to devise the identification procedure for the plasticity parameters. The model is then extended to include a porosity-based isotropic damage state variable to describe the progressive deterioration of the strength and mechanical properties of metals induced by deformation . The numerical treatment of these coupled plasticity-damage constitutive equations is explained in detail. A number of examples are solved to validate the numerical implementation of the model.

  3. The Schwinger Model on S 1: Hamiltonian Formulation, Vacuum and Anomaly

    Science.gov (United States)

    Stuart, David

    2014-12-01

    We present a Hamiltonian formulation of the Schwinger model with spatial domain taken to be the circle. It is shown that, in Coulomb gauge, the Hamiltonian is a semi-bounded, self-adjoint operator which is invariant under the group of large gauge transformations. There is a nontrivial action of on fermionic Fock space and its vacuum. This action plays a role analogous to that played by the spectral flow in the infinite Dirac sea formalism. The formulation allows (1) a description of the anomaly and its relation to the group action, and (2) an explicit identification of the vacuum. The anomaly in the chiral conservation law appears as a consequence of insisting upon semi-boundedness and gauge invariance of the quantized Hamiltonian.

  4. Modeling Non-Linear Material Properties in Composite Materials

    Science.gov (United States)

    2016-06-28

    Technical Report ARWSB-TR-16013 MODELING NON-LINEAR MATERIAL PROPERTIES IN COMPOSITE MATERIALS Michael F. Macri Andrew G...REPORT TYPE Technical 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE MODELING NON-LINEAR MATERIAL PROPERTIES IN COMPOSITE MATERIALS ...systems are increasingly incorporating composite materials into their design. Many of these systems subject the composites to environmental conditions

  5. Wave packet formulation of the boomerang model for resonant electron--molecule scattering

    International Nuclear Information System (INIS)

    McCurdy, C.W.; Turner, J.L.

    1983-01-01

    A time-dependent formulation of the boomerang model for resonant electron--molecule scattering is presented in terms of a wave packet propagating on the complex potential surface of the metastable anion. The results of calculations using efficient semiclassical techniques for propagating the wave packet are found to be in excellent agreement with full quantum-mechanical calculations of vibrational excitation cross sections in e - --N 2 scattering. The application of the wave packet formulation as a computational and conceptual approach to the problem of resonant collisions with polyatomic molecules is discussed in the light of recent wave packet calculations on polyatomic photodissociation and Raman spectra

  6. A stochastic formulation of the Bass model of new-product diffusion

    Directory of Open Access Journals (Sweden)

    Niu Shun-Chen

    2002-01-01

    Full Text Available For a large variety of new products, the Bass Model (BM describes the empirical cumulative-adoptions curve extremely well. The BM postulates that the trajectory of cumulative adoptions of a new product follows a deterministic function whose instantaneous growth rate depends on two parameters, one of which captures an individual's intrinsic tendency to purchase, independent of the number of previous adopters, and the other captures a positive force of influence on an individual by previous adopters. In this paper, we formulate a stochastic version of the BM, which we call the Stochastic Bass Model (SBM, where the trajectory of cumulative number of adoptions is governed by a pure birth process. We show that with an appropriately-chosen set of birth rates, the fractions of individuals who have adopted the product by time t in a family of SBMs indexed by the size of the target population converge in probability to the deterministic fraction in a corresponding BM, when the population size approaches infinity. The formulation therefore supports and expands the BM by allowing stochastic trajectories.

  7. 3D Finite Volume Modeling of ENDE Using Electromagnetic T-Formulation

    Directory of Open Access Journals (Sweden)

    Yue Li

    2012-01-01

    Full Text Available An improved method which can analyze the eddy current density in conductor materials using finite volume method is proposed on the basis of Maxwell equations and T-formulation. The algorithm is applied to solve 3D electromagnetic nondestructive evaluation (E’NDE benchmark problems. The computing code is applied to study an Inconel 600 work piece with holes or cracks. The impedance change due to the presence of the crack is evaluated and compared with the experimental data of benchmark problems No. 1 and No. 2. The results show a good agreement between both calculated and measured data.

  8. The choice of a constitutive formulation for modeling limb flexion-induced deformations and stresses in the human femoropopliteal arteries of different ages.

    Science.gov (United States)

    Desyatova, Anastasia; MacTaggart, Jason; Poulson, William; Deegan, Paul; Lomneth, Carol; Sandip, Anjali; Kamenskiy, Alexey

    2017-06-01

    Open and endovascular treatments for peripheral arterial disease are notorious for high failure rates. Severe mechanical deformations experienced by the femoropopliteal artery (FPA) during limb flexion and interactions between the artery and repair materials play important roles and may contribute to poor clinical outcomes. Computational modeling can help optimize FPA repair, but these simulations heavily depend on the choice of constitutive model describing the arterial behavior. In this study finite element model of the FPA in the standing (straight) and gardening (acutely bent) postures was built using computed tomography data, longitudinal pre-stretch and biaxially determined mechanical properties. Springs and dashpots were used to represent surrounding tissue forces associated with limb flexion-induced deformations. These forces were then used with age-specific longitudinal pre-stretch and mechanical properties to obtain deformed FPA configurations for seven age groups. Four commonly used invariant-based constitutive models were compared to determine the accuracy of capturing deformations and stresses in each age group. The four-fiber FPA model most accurately portrayed arterial behavior in all ages, but in subjects younger than 40 years, the performance of all constitutive formulations was similar. In older subjects, Demiray (Delfino) and classic two-fiber Holzapfel-Gasser-Ogden formulations were better than the Neo-Hookean model for predicting deformations due to limb flexion, but both significantly overestimated principal stresses compared to the FPA or Neo-Hookean models.

  9. The modified couple stress functionally graded Timoshenko beam formulation

    International Nuclear Information System (INIS)

    Asghari, M.; Rahaeifard, M.; Kahrobaiyan, M.H.; Ahmadian, M.T.

    2011-01-01

    In this paper, a size-dependent formulation is presented for Timoshenko beams made of a functionally graded material (FGM). The formulation is developed on the basis of the modified couple stress theory. The modified couple stress theory is a non-classic continuum theory capable to capture the small-scale size effects in the mechanical behavior of structures. The beam properties are assumed to vary through the thickness of the beam. The governing differential equations of motion are derived for the proposed modified couple-stress FG Timoshenko beam. The generally valid closed-form analytic expressions are obtained for the static response parameters. As case studies, the static and free vibration of the new model are respectively investigated for FG cantilever and FG simply supported beams in which properties are varying according to a power law. The results indicate that modeling beams on the basis of the couple stress theory causes more stiffness than modeling based on the classical continuum theory, such that for beams with small thickness, a significant difference between the results of these two theories is observed.

  10. Study on Identification of Material Model Parameters from Compact Tension Test on Concrete Specimens

    Science.gov (United States)

    Hokes, Filip; Kral, Petr; Husek, Martin; Kala, Jiri

    2017-10-01

    Identification of a concrete material model parameters using optimization is based on a calculation of a difference between experimentally measured and numerically obtained data. Measure of the difference can be formulated via root mean squared error that is often used for determination of accuracy of a mathematical model in the field of meteorology or demography. The quality of the identified parameters is, however, determined not only by right choice of an objective function but also by the source experimental data. One of the possible way is to use load-displacement curves from three-point bending tests that were performed on concrete specimens. This option shows the significance of modulus of elasticity, tensile strength and specific fracture energy. Another possible option is to use experimental data from compact tension test. It is clear that the response in the second type of test is also dependent on the above mentioned material parameters. The question is whether the parameters identified within three-point bending test and within compact tension test will reach the same values. The presented article brings the numerical study of inverse identification of material model parameters from experimental data measured during compact tension tests. The article also presents utilization of the modified sensitivity analysis that calculates the sensitivity of the material model parameters for different parts of loading curve. The main goal of the article is to describe the process of inverse identification of parameters for plasticity-based material model of concrete and prepare data for future comparison with identified values of the material model parameters from different type of fracture tests.

  11. Anti-inflammatory activity of Shirishavaleha: An Ayurvedic compound formulation.

    Science.gov (United States)

    Yadav, Shyamlal Singh; Galib; Ravishankar, B; Prajapati, P K; Ashok, B K; Varun, B

    2010-10-01

    The purpose of the present study was to evaluate the anti-inflammatory activity of Shirishavaleha prepared from two different parts of Shirisha (Albizia lebbeck Benth.), viz. the bark (Twak) and the heartwood (Sara). The activity was screened in the carrageenan-induced rat paw edema model in albino rats. The raw materials were collected and authenticated in the university and the trial formulations were prepared by following standard classical guidelines. Randomly selected animals were divided into four groups of six animals each. The test drugs were administered orally at a dose of 1.8 g/kg for 5 days. Phenylbutazone was used as the standard anti-inflammatory drug for comparison. Between the two different test samples studied, the formulation made from heartwood showed a weak anti-inflammatory activity in this model while that made from the bark produced a considerable suppression of edema after 6 h. It appears that the bark sample would be preferable for clinical use.

  12. Topological excitations in magnetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Bazeia, D., E-mail: bazeia@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, 58051-970 João Pessoa, PB (Brazil); Doria, M.M. [Instituto de Física, Universidade Federal do Rio de Janeiro, Rio de Janeiro (Brazil); Dipartimento di Fisica, Università di Camerino, I-62032 Camerino (Italy); Rodrigues, E.I.B. [Departamento de Física, Universidade Federal da Paraíba, 58051-970 João Pessoa, PB (Brazil)

    2016-05-20

    In this work we propose a new route to describe topological excitations in magnetic systems through a single real scalar field. We show here that spherically symmetric structures in two spatial dimensions, which map helical excitations in magnetic materials, admit this formulation and can be used to model skyrmion-like structures in magnetic materials.

  13. Local normal vector field formulation for periodic scattering problems formulated in the spectral domain

    NARCIS (Netherlands)

    van Beurden, M.C.; Setija, Irwan

    2017-01-01

    We present two adapted formulations, one tailored to isotropic media and one for general anisotropic media, of the normal vector field framework previously introduced to improve convergence near arbitrarily shaped material interfaces in spectral simulation methods for periodic scattering geometries.

  14. Undefined cellulase formulations hinder scientific reproducibility.

    Science.gov (United States)

    Himmel, Michael E; Abbas, Charles A; Baker, John O; Bayer, Edward A; Bomble, Yannick J; Brunecky, Roman; Chen, Xiaowen; Felby, Claus; Jeoh, Tina; Kumar, Rajeev; McCleary, Barry V; Pletschke, Brett I; Tucker, Melvin P; Wyman, Charles E; Decker, Stephen R

    2017-01-01

    In the shadow of a burgeoning biomass-to-fuels industry, biological conversion of lignocellulose to fermentable sugars in a cost-effective manner is key to the success of second-generation and advanced biofuel production. For the effective comparison of one cellulase preparation to another, cellulase assays are typically carried out with one or more engineered cellulase formulations or natural exoproteomes of known performance serving as positive controls. When these formulations have unknown composition, as is the case with several widely used commercial products, it becomes impossible to compare or reproduce work done today to work done in the future, where, for example, such preparations may not be available. Therefore, being a critical tenet of science publishing, experimental reproducibility is endangered by the continued use of these undisclosed products. We propose the introduction of standard procedures and materials to produce specific and reproducible cellulase formulations. These formulations are to serve as yardsticks to measure improvements and performance of new cellulase formulations.

  15. Network-Based Material Requirements Planning (NBMRP) in ...

    African Journals Online (AJOL)

    Network-Based Material Requirements Planning (NBMRP) in Product Development Project. ... International Journal of Development and Management Review ... To address the problems, this study evaluated the existing material planning practice, and formulated a NBMRP model out of the variables of the existing MRP and ...

  16. A formulation of tissue- and water-equivalent materials using the stoichiometric analysis method for CT-number calibration in radiotherapy treatment planning

    Science.gov (United States)

    Yohannes, Indra; Kolditz, Daniel; Langner, Oliver; Kalender, Willi A.

    2012-03-01

    Tissue- and water-equivalent materials (TEMs) are widely used in quality assurance and calibration procedures, both in radiodiagnostics and radiotherapy. In radiotherapy, particularly, the TEMs are often used for computed tomography (CT) number calibration in treatment planning systems. However, currently available TEMs may not be very accurate in the determination of the calibration curves due to their limitation in mimicking radiation characteristics of the corresponding real tissues in both low- and high-energy ranges. Therefore, we are proposing a new formulation of TEMs using a stoichiometric analysis method to obtain TEMs for the calibration purposes. We combined the stoichiometric calibration and the basic data method to compose base materials to develop TEMs matching standard real tissues from ICRU Report 44 and 46. First, the CT numbers of six materials with known elemental compositions were measured to get constants for the stoichiometric calibration. The results of the stoichiometric calibration were used together with the basic data method to formulate new TEMs. These new TEMs were scanned to validate their CT numbers. The electron density and the stopping power calibration curves were also generated. The absolute differences of the measured CT numbers of the new TEMs were less than 4 HU for the soft tissues and less than 22 HU for the bone compared to the ICRU real tissues. Furthermore, the calculated relative electron density and electron and proton stopping powers of the new TEMs differed by less than 2% from the corresponding ICRU real tissues. The new TEMs which were formulated using the proposed technique increase the simplicity of the calibration process and preserve the accuracy of the stoichiometric calibration simultaneously.

  17. Simple, distance-dependent formulation of the Watts-Strogatz model for directed and undirected small-world networks

    Science.gov (United States)

    Song, H. Francis; Wang, Xiao-Jing

    2014-12-01

    Small-world networks—complex networks characterized by a combination of high clustering and short path lengths—are widely studied using the paradigmatic model of Watts and Strogatz (WS). Although the WS model is already quite minimal and intuitive, we describe an alternative formulation of the WS model in terms of a distance-dependent probability of connection that further simplifies, both practically and theoretically, the generation of directed and undirected WS-type small-world networks. In addition to highlighting an essential feature of the WS model that has previously been overlooked, namely the equivalence to a simple distance-dependent model, this alternative formulation makes it possible to derive exact expressions for quantities such as the degree and motif distributions and global clustering coefficient for both directed and undirected networks in terms of model parameters.

  18. Reinforced concrete treatment as composite material

    International Nuclear Information System (INIS)

    Oller, S.; Onate, E.; Miguel, J.

    1995-01-01

    This paper presents the general mixing theory applied to the numerical simulation of multiphase composite material behaviour as reinforced concrete materials. This theory is based on the mixture of that composite basic substances and allows to evaluate the inter-dependence behaviour between the different compounding constitutive models. If it would be necessary to consider the initial anisotropy of each compound it could be done by mean of the mapped isotropic plastic formulation. The approach is a generalization of the classic isotropic plasticity theory to be applied to either ortho tropic or anisotropic materials such as reinforced concrete. The existence of a stress and strain real anisotropic spaces, and the respective fictitious isotropic spaces are assumed, where a mapped fictitious problem is solved. Those spaces are relating by means of two fourth order transformation tensors. Both formulation are joined establishing a powerful work tool for the treatment of bulk-fiber composite materials. The induced anisotropy behaviour is take into account by each compounding constitutive formulation. (author). 24 refs., 3 figs

  19. Transport of fluid and solutes in the body I. Formulation of a mathematical model.

    Science.gov (United States)

    Gyenge, C C; Bowen, B D; Reed, R K; Bert, J L

    1999-09-01

    A compartmental model of short-term whole body fluid, protein, and ion distribution and transport is formulated. The model comprises four compartments: a vascular and an interstitial compartment, each with an embedded cellular compartment. The present paper discusses the assumptions on which the model is based and describes the equations that make up the model. Fluid and protein transport parameters from a previously validated model as well as ionic exchange parameters from the literature or from statistical estimation [see companion paper: C. C. Gyenge, B. D. Bowen, R. K. Reed, and J. L. Bert. Am. J. Physiol. 277 (Heart Circ. Physiol. 46): H1228-H1240, 1999] are used in formulating the model. The dynamic model has the ability to simulate 1) transport across the capillary membrane of fluid, proteins, and small ions and their distribution between the vascular and interstitial compartments; 2) the changes in extracellular osmolarity; 3) the distribution and transport of water and ions associated with each of the cellular compartments; 4) the cellular transmembrane potential; and 5) the changes of volume in the four fluid compartments. The validation and testing of the proposed model against available experimental data are presented in the companion paper.

  20. Modeling of material properties of piezoelectric ceramics taking into account damage development under static compression

    International Nuclear Information System (INIS)

    Mizuno, M; Nishikata, T; Okayasu, M

    2013-01-01

    We have carried out static compression tests in the poling direction for PZT ceramics and evaluated the material properties by measuring the resonance and anti-resonance frequencies and electrostatic capacity at regular intervals. Then the variation in the material properties up to fracture was clarified. Also, the development of internal damage was also clarified quantitatively by evaluating a damage variable on the basis of the continuum damage mechanics. The damage variable was calculated from the ratio of the elastic coefficient to its initial value. In the present paper, the development of internal damage was formulated as an evolution equation of the damage variable. In the formulation, a threshold stress leading to the onset of damage was considered. Moreover, the variation in material properties was related to the damage variable and formulated as material functions of the damage variable. The development of internal damage and the variation in material properties were simulated by the equations proposed in the present paper and the validity of the equations was verified by comparing the predictions with experimental results. (paper)

  1. Finite Element Analysis of Active and Sensory Thermopiezoelectric Composite Materials. Degree awarded by Northwestern Univ., Dec. 2000

    Science.gov (United States)

    Lee, Ho-Jun

    2001-01-01

    Analytical formulations are developed to account for the coupled mechanical, electrical, and thermal response of piezoelectric composite materials. The coupled response is captured at the material level through the thermopiezoelectric constitutive equations and leads to the inherent capability to model both the sensory and active responses of piezoelectric materials. A layerwise laminate theory is incorporated to provide more accurate analysis of the displacements, strains, stresses, electric fields, and thermal fields through-the-thickness. Thermal effects which arise from coefficient of thermal expansion mismatch, pyroelectric effects, and temperature dependent material properties are explicitly accounted for in the formulation. Corresponding finite element formulations are developed for piezoelectric beam, plate, and shell elements to provide a more generalized capability for the analysis of arbitrary piezoelectric composite structures. The accuracy of the current formulation is verified with comparisons from published experimental data and other analytical models. Additional numerical studies are also conducted to demonstrate additional capabilities of the formulation to represent the sensory and active behaviors. A future plan of experimental studies is provided to characterize the high temperature dynamic response of piezoelectric composite materials.

  2. Annotating the structure and components of a nanoparticle formulation using computable string expressions.

    Science.gov (United States)

    Thomas, Dennis G; Chikkagoudar, Satish; Chappell, Alan R; Baker, Nathan A

    2012-12-31

    Nanoparticle formulations that are being developed and tested for various medical applications are typically multi-component systems that vary in their structure, chemical composition, and function. It is difficult to compare and understand the differences between the structural and chemical descriptions of hundreds and thousands of nanoparticle formulations found in text documents. We have developed a string nomenclature to create computable string expressions that identify and enumerate the different high-level types of material parts of a nanoparticle formulation and represent the spatial order of their connectivity to each other. The string expressions are intended to be used as IDs, along with terms that describe a nanoparticle formulation and its material parts, in data sharing documents and nanomaterial research databases. The strings can be parsed and represented as a directed acyclic graph. The nodes of the graph can be used to display the string ID, name and other text descriptions of the nanoparticle formulation or its material part, while the edges represent the connectivity between the material parts with respect to the whole nanoparticle formulation. The different patterns in the string expressions can be searched for and used to compare the structure and chemical components of different nanoparticle formulations. The proposed string nomenclature is extensible and can be applied along with ontology terms to annotate the complete description of nanoparticles formulations.

  3. Fundamental mass transfer modeling of emission of volatile organic compounds from building materials

    Science.gov (United States)

    Bodalal, Awad Saad

    In this study, a mass transfer theory based model is presented for characterizing the VOC emissions from building materials. A 3-D diffusion model is developed to describe the emissions of volatile organic compounds (VOCs) from individual sources. Then the formulation is extended to include the emissions from composite sources (system comprising an assemblage of individual sources). The key parameters for the model (The diffusion coefficient of the VOC in the source material D, and the equilibrium partition coefficient k e) were determined independently (model parameters are determined without the use of chamber emission data). This procedure eliminated to a large extent the need for emission testing using environmental chambers, which is costly, time consuming, and may be subject to confounding sink effects. An experimental method is developed and implemented to measure directly the internal diffusion (D) and partition coefficients ( ke). The use of the method is illustrated for three types of VOC's: (i) Aliphatic Hydrocarbons, (ii) Aromatic Hydrocarbons and ( iii) Aldehydes, through typical dry building materials (carpet, plywood, particleboard, vinyl floor tile, gypsum board, sub-floor tile and OSB). Then correlations for predicting D and ke based solely on commonly available properties such as molecular weight and vapour pressure were proposed for each product and type of VOC. These correlations can be used to estimate the D and ke when direct measurement data are not available, and thus facilitate the prediction of VOC emissions from the building materials using mass transfer theory. The VOC emissions from a sub-floor material (made of the recycled automobile tires), and a particleboard are measured and predicted. Finally, a mathematical model to predict the diffusion coefficient through complex sources (floor adhesive) as a function of time was developed. Then this model (for diffusion coefficient in complex sources) was used to predict the emission rate from

  4. A variational formulation for linear models in coupled dynamic thermoelasticity

    International Nuclear Information System (INIS)

    Feijoo, R.A.; Moura, C.A. de.

    1981-07-01

    A variational formulation for linear models in coupled dynamic thermoelasticity which quite naturally motivates the design of a numerical scheme for the problem, is studied. When linked to regularization or penalization techniques, this algorithm may be applied to more general models, namely, the ones that consider non-linear constraints associated to variational inequalities. The basic postulates of Mechanics and Thermodynamics as well as some well-known mathematical techniques are described. A thorough description of the algorithm implementation with the finite-element method is also provided. Proofs for existence and uniqueness of solutions and for convergence of the approximations are presented, and some numerical results are exhibited. (Author) [pt

  5. Dissolution Model Development: Formulation Effects and Filter Complications

    DEFF Research Database (Denmark)

    Berthelsen, Ragna; Holm, Rene; Jacobsen, Jette

    2016-01-01

    This study describes various complications related to sample preparation (filtration) during development of a dissolution method intended to discriminate among different fenofibrate immediate-release formulations. Several dissolution apparatus and sample preparation techniques were tested. The fl....... With the tested drug–formulation combination, the best in vivo–in vitro correlation was found after filtration of the dissolution samples through 0.45-μm hydrophobic PTFE membrane filters....

  6. Formulation of portland composite cement using waste glass as a supplementary cementitious material

    Science.gov (United States)

    Manullang, Ria Julyana; Samadhi, Tjokorde Walmiki; Purbasari, Aprilina

    2017-09-01

    Utilization of waste glass in cement is an attractive options because of its pozzolanic behaviour and the market of glass-composite cement is potentially available. The objective of this research is to evaluate the formulation of waste glass as supplementary cementitious material (SCM) by an extreme vertices mixture experiment, in which clinker, waste glass and gypsum proportions are chosen as experimental variables. The composite cements were synthesized by mixing all of powder materials in jar mill. The compressive strength of the composite cement mortars after being cured for 28 days ranges between 229 to 268 kg/cm2. Composite cement mortars exhibit lower compressive strength than ordinary Portland cement (OPC) mortars but is still capable of meeting the SNI 15-7064-2004 standards. The highest compressive strength is obtained by shifting the cement blend composition to the direction of increasing clinker and gypsum proportions as well as reducing glass proportion. The lower compressive strength of composite cement is caused by expansion due to ettringite and ASR gel. Based on the experimental result, the composite cement containing 80% clinker, 15% glass and 5% gypsum has the highest compressive strength. As such, the preliminary technical feasibility of reuse of waste glass as SCM has been confirmed.

  7. A geometrically exact beam element based on the absolute nodal coordinate formulation

    International Nuclear Information System (INIS)

    Gerstmayr, Johannes; Matikainen, Marko K.; Mikkola, Aki M.

    2008-01-01

    In this study, Reissner's classical nonlinear rod formulation, as implemented by Simo and Vu-Quoc by means of the large rotation vector approach, is implemented into the framework of the absolute nodal coordinate formulation. The implementation is accomplished in the planar case accounting for coupled axial, bending, and shear deformation. By employing the virtual work of elastic forces similarly to Simo and Vu-Quoc in the absolute nodal coordinate formulation, the numerical results of the formulation are identical to those of the large rotation vector formulation. It is noteworthy, however, that the material definition in the absolute nodal coordinate formulation can differ from the material definition used in Reissner's beam formulation. Based on an analytical eigenvalue analysis, it turns out that the high frequencies of cross section deformation modes in the absolute nodal coordinate formulation are only slightly higher than frequencies of common shear modes, which are present in the classical large rotation vector formulation of Simo and Vu-Quoc, as well. Thus, previous claims that the absolute nodal coordinate formulation is inefficient or would lead to ill-conditioned finite element matrices, as compared to classical approaches, could be refuted. In the introduced beam element, locking is prevented by means of reduced integration of certain parts of the elastic forces. Several classical large deformation static and dynamic examples as well as an eigenvalue analysis document the equivalence of classical nonlinear rod theories and the absolute nodal coordinate formulation for the case of appropriate material definitions. The results also agree highly with those computed in commercial finite element codes

  8. Effect of material property heterogeneity on biomechanical modeling of prostate under deformation

    International Nuclear Information System (INIS)

    Samavati, Navid; McGrath, Deirdre M; Ménard, Cynthia; Jewett, Michael A S; Van der Kwast, Theo; Brock, Kristy K

    2015-01-01

    Biomechanical model based deformable image registration has been widely used to account for prostate deformation in various medical imaging procedures. Biomechanical material properties are important components of a biomechanical model. In this study, the effect of incorporating tumor-specific material properties in the prostate biomechanical model was investigated to provide insight into the potential impact of material heterogeneity on the prostate deformation calculations. First, a simple spherical prostate and tumor model was used to analytically describe the deformations and demonstrate the fundamental effect of changes in the tumor volume and stiffness in the modeled deformation. Next, using a clinical prostate model, a parametric approach was used to describe the variations in the heterogeneous prostate model by changing tumor volume, stiffness, and location, to show the differences in the modeled deformation between heterogeneous and homogeneous prostate models. Finally, five clinical prostatectomy examples were used in separately performed homogeneous and heterogeneous biomechanical model based registrations to describe the deformations between 3D reconstructed histopathology images and ex vivo magnetic resonance imaging, and examine the potential clinical impact of modeling biomechanical heterogeneity of the prostate. The analytical formulation showed that increasing the tumor volume and stiffness could significantly increase the impact of the heterogeneous prostate model in the calculated displacement differences compared to the homogeneous model. The parametric approach using a single prostate model indicated up to 4.8 mm of displacement difference at the tumor boundary compared to a homogeneous model. Such differences in the deformation of the prostate could be potentially clinically significant given the voxel size of the ex vivo MR images (0.3  ×  0.3  ×  0.3 mm). However, no significant changes in the registration accuracy were

  9. Hamiltonian formulation of systems with balanced loss-gain and exactly solvable models

    Science.gov (United States)

    Ghosh, Pijush K.; Sinha, Debdeep

    2018-01-01

    A Hamiltonian formulation of generic many-body systems with balanced loss and gain is presented. It is shown that a Hamiltonian formulation is possible only if the balancing of loss and gain terms occurs in a pairwise fashion. It is also shown that with the choice of a suitable co-ordinate, the Hamiltonian can always be reformulated in the background of a pseudo-Euclidean metric. If the equations of motion of some of the well-known many-body systems like Calogero models are generalized to include balanced loss and gain, it appears that the same may not be amenable to a Hamiltonian formulation. A few exactly solvable systems with balanced loss and gain, along with a set of integrals of motion are constructed. The examples include a coupled chain of nonlinear oscillators and a many-particle Calogero-type model with four-body inverse square plus two-body pair-wise harmonic interactions. For the case of nonlinear oscillators, stable solution exists even if the loss and gain parameter has unbounded upper range. Further, the range of the parameter for which the stable solutions are obtained is independent of the total number of the oscillators. The set of coupled nonlinear equations are solved exactly for the case when the values of all the constants of motions except the Hamiltonian are equal to zero. Exact, analytical classical solutions are presented for all the examples considered.

  10. A new LP formulation of the admission control problem modelled as an MDP under average reward criterion

    Science.gov (United States)

    Pietrabissa, Antonio

    2011-12-01

    The admission control problem can be modelled as a Markov decision process (MDP) under the average cost criterion and formulated as a linear programming (LP) problem. The LP formulation is attractive in the present and future communication networks, which support an increasing number of classes of service, since it can be used to explicitly control class-level requirements, such as class blocking probabilities. On the other hand, the LP formulation suffers from scalability problems as the number C of classes increases. This article proposes a new LP formulation, which, even if it does not introduce any approximation, is much more scalable: the problem size reduction with respect to the standard LP formulation is O((C + 1)2/2 C ). Theoretical and numerical simulation results prove the effectiveness of the proposed approach.

  11. Characterize and Model Final Waste Formulations and Offgas Solids from Thermal Treatment Processes - FY-98 Final Report for LDRD 2349

    Energy Technology Data Exchange (ETDEWEB)

    Kessinger, Glen Frank; Nelson, Lee Orville; Grandy, Jon Drue; Zuck, Larry Douglas; Kong, Peter Chuen Sun; Anderson, Gail

    1999-08-01

    The purpose of LDRD #2349, Characterize and Model Final Waste Formulations and Offgas Solids from Thermal Treatment Processes, was to develop a set of tools that would allow the user to, based on the chemical composition of a waste stream to be immobilized, predict the durability (leach behavior) of the final waste form and the phase assemblages present in the final waste form. The objectives of the project were: • investigation, testing and selection of thermochemical code • development of auxiliary thermochemical database • synthesis of materials for leach testing • collection of leach data • using leach data for leach model development • thermochemical modeling The progress toward completion of these objectives and a discussion of work that needs to be completed to arrive at a logical finishing point for this project will be presented.

  12. Enthalpy-based equation of state for highly porous materials employing modified soft sphere fluid model

    Science.gov (United States)

    Nayak, Bishnupriya; Menon, S. V. G.

    2018-01-01

    Enthalpy-based equation of state based on a modified soft sphere model for the fluid phase, which includes vaporization and ionization effects, is formulated for highly porous materials. Earlier developments and applications of enthalpy-based approach had not accounted for the fact that shocked states of materials with high porosity (e.g., porosity more than two for Cu) are in the expanded fluid region. We supplement the well known soft sphere model with a generalized Lennard-Jones formula for the zero temperature isotherm, with parameters determined from cohesive energy, specific volume and bulk modulus of the solid at normal condition. Specific heats at constant pressure, ionic and electronic enthalpy parameters and thermal excitation effects are calculated using the modified approach and used in the enthalpy-based equation of state. We also incorporate energy loss from the shock due to expansion of shocked material in calculating porous Hugoniot. Results obtained for Cu, even up to initial porosities ten, show good agreement with experimental data.

  13. Dynamic formulation of a top-down and bottom-up merging energy policy model

    International Nuclear Information System (INIS)

    Frei, Christoph W.; Haldi, P.-A.; Sarlos, G.Gerard

    2003-01-01

    The impact of energy policy measures is not restricted to the energy system and should therefore be analysed within an economy-wide framework, while keeping the essential details of the energy sector. The aim of this paper is to present new developments in the field of the consistent evaluation of indicators for the sustainability assessment of energy policy measures. Starting from the static concept of Boehringer (Energy Econ. 20 (1998) 233), this paper shows how the complementarity format can be used in computable general equilibrium (CGE) modelling for a dynamic formulation of bottom-up and top-down approach merging models. While a hybrid approach increases the credibility of CGE models in energy policy analysis by replacing the energy sector generic functional forms with a bottom-up activity analysis based on specific technologies, the endogenous formulation of investment decisions makes an explicit description of evolving specific capital stocks and technology mixes possible. Both features are essential when assessing effects of policy measures that may be affected by structural change--which is typically the case in the long-term assessment of energy policy measures

  14. Formulation of Thermosensitive Hydrogel Containing Cyclodextrin ...

    African Journals Online (AJOL)

    Materials. Chitosan (deacetylation degree, DDA = 80 %) was obtained from HiMedia Laboratories Pvt. ... Sterile formulations were ... Chilled β-GP aqueous solution (sterilized through ..... generally decreasing away from the center of the tumor.

  15. Nutritional and sensory evaluation of food formulations from malted ...

    African Journals Online (AJOL)

    Malting and fermentation were investigated as simple technologies for improving the nutritional and organoleptic properties of maize/sesame food formulations. Various maize flour samples were blended with defatted sesame flour, by material balancing, to give four food formulations consisting of unmalted maize + defatted ...

  16. Mathematical modeling of a biogenous filter cake and identification of oilseed material parameters

    Directory of Open Access Journals (Sweden)

    Očenášek J.

    2009-12-01

    Full Text Available Mathematical modeling of the filtration and extrusion process inside a linear compression chamber has gained a lot of attention during several past decades. This subject was originally related to mechanical and hydraulic properties of soils (in particular work of Terzaghi and later was this approach adopted for the modeling of various technological processes in the chemical industry (work of Shirato. Developed mathematical models of continuum mechanics of porous materials with interstitial fluid were then applied also to the problem of an oilseed expression. In this case, various simplifications and partial linearizations are introduced in models for the reason of an analytical or numerical solubility; or it is not possible to generalize the model formulation into the fully 3D problem of an oil expression extrusion with a complex geometry such as it has a screw press extruder.We proposed a modified model for the oil seeds expression process in a linear compression chamber. The model accounts for the rheological properties of the deformable solid matrix of compressed seed, where the permeability of the porous solid is described by the Darcy's law. A methodology of the experimental work necessary for a material parameters identification is presented together with numerical simulation examples.

  17. Formulating Fine to Medium Sand Erosion for Suspended Sediment Transport Models

    Directory of Open Access Journals (Sweden)

    François Dufois

    2015-08-01

    Full Text Available The capacity of an advection/diffusion model to predict sand transport under varying wave and current conditions is evaluated. The horizontal sand transport rate is computed by vertical integration of the suspended sediment flux. A correction procedure for the near-bed concentration is proposed so that model results are independent of the vertical resolution. The method can thus be implemented in regional models with operational applications. Simulating equilibrium sand transport rates, when erosion and deposition are balanced, requires a new empirical erosion law that involves the non-dimensional excess shear stress and a parameter that depends on the size of the sand grain. Comparison with several datasets and sediment transport formulae demonstrated the model’s capacity to simulate sand transport rates for a large range of current and wave conditions and sand diameters in the range 100–500 μm. Measured transport rates were predicted within a factor two in 67% of cases with current only and in 35% of cases with both waves and current. In comparison with the results obtained by Camenen and Larroudé (2003, who provided the same indicators for several practical transport rate formulations (whose means are respectively 72% and 37%, the proposed approach gives reasonable results. Before fitting a new erosion law to our model, classical erosion rate formulations were tested but led to poor comparisons with expected sediment transport rates. We suggest that classical erosion laws should be used with care in advection/diffusion models similar to ours, and that at least a full validation procedure for transport rates involving a range of sand diameters and hydrodynamic conditions should be carried out.

  18. The perspective awareness model - Eliciting multiple perspectives to formulate high quality decisions

    International Nuclear Information System (INIS)

    Boucher, Laurel

    2013-01-01

    A great deal of attention is given to the importance of communication in environmental remediation and radioactive waste management. However, very little attention is given to eliciting multiple perspectives so as to formulate high quality decisions. Plans that are based on a limited number of perspectives tend to be narrowly focused whereas those that are based on a wide variety of perspectives tend to be comprehensive, higher quality, and more apt to be put into application. In addition, existing methods of dialogue have built-in limitations in that they typically draw from the predominant thinking patterns which focus in some areas but ignore others. This can result in clarity but a lack of comprehensiveness. This paper presents a Perspective Awareness Model which helps groups such as partnering teams, interagency teams, steering committees, and working groups elicit a wide net of perspectives and viewpoints. The paper begins by describing five factors that makes cooperation among such groups challenging. Next, a Perspective Awareness Model that makes it possible to manage these five factors is presented. The two primary components of this model --- the eight 'Thinking Directions' and the 'Shared Documentation' --- are described in detail. Several examples are given to illustrate how the Perspective Awareness Model can be used to elicit multiple perspectives to formulate high quality decisions in the area of environmental remediation and radioactive waste management. (authors)

  19. A finite element modeling of a multifunctional hybrid composite beam with viscoelastic materials

    Science.gov (United States)

    Wang, Ya; Inman, Daniel J.

    2013-04-01

    The multifunctional hybrid composite structure studied here consists of a ceramic outer layer capable of withstanding high temperatures, a functionally graded ceramic layer combining shape memory alloy (SMA) properties of NiTi together with Ti2AlC (called Graded Ceramic/Metal Composite, or GCMeC), and a high temperature sensor patch, followed by a polymer matrix composite laced with vascular cooling channels all held together with various epoxies. Due to the recoverable nature of SMA and adhesive properties of Ti2AlC, the damping behavior of the GCMeC is largely viscoelastic. This paper presents a finite element formulation for this multifunctional hybrid structure with embedded viscoelastic material. In order to implement the viscoelastic model into the finite element formulation, a second order three parameter Golla-Hughes-McTavish (GHM) method is used to describe the viscoelastic behavior. Considering the parameter identification, a strategy to estimate the fractional order of the time derivative and the relaxation time is outlined. The curve-fitting aspects of both GHM and ADF show good agreement with experimental data obtained from dynamic mechanics analysis. The performance of the finite element of the layered multifunctional beam is verified through experimental model analysis.

  20. Thermal fatigue. Materials modelling

    International Nuclear Information System (INIS)

    Siegele, D.; Fingerhuth, J.; Mrovec, M.

    2012-01-01

    In the framework of the ongoing joint research project 'Thermal Fatigue - Basics of the system-, outflow- and material-characteristics of piping under thermal fatigue' funded by the German Federal Ministry of Education and Research (BMBF) fundamental numerical and experimental investigations on the material behavior under transient thermal-mechanical stress conditions (high cycle fatigue V HCF and low cycle fatigue - LCF) are carried out. The primary objective of the research is the further development of simulation methods applied in safety evaluations of nuclear power plant components. In this context the modeling of crack initiation and growth inside the material structure induced by varying thermal loads are of particular interest. Therefore, three scientific working groups organized in three sub-projects of the joint research project are dealing with numerical modeling and simulation at different levels ranging from atomistic to micromechanics and continuum mechanics, and in addition corresponding experimental data for the validation of the numerical results and identification of the parameters of the associated material models are provided. The present contribution is focused on the development and experimental validation of material models and methods to characterize the damage evolution and the life cycle assessment as a result of thermal cyclic loading. The individual purposes of the subprojects are as following: - Material characterization, Influence of temperature and surface roughness on fatigue endurances, biaxial thermo-mechanical behavior, experiments on structural behavior of cruciform specimens and scatter band analysis (IfW Darmstadt) - Life cycle assessment with micromechanical material models (MPA Stuttgart) - Life cycle assessment with atomistic and damage-mechanical material models associated with material tests under thermal fatigue (Fraunhofer IWM, Freiburg) - Simulation of fatigue crack growth, opening and closure of a short crack under

  1. A new in vitro lipid digestion - in vivo absorption model to evaluate the mechanisms of drug absorption from lipid-based formulations.

    Science.gov (United States)

    Crum, Matthew F; Trevaskis, Natalie L; Williams, Hywel D; Pouton, Colin W; Porter, Christopher J H

    2016-04-01

    In vitro lipid digestion models are commonly used to screen lipid-based formulations (LBF), but in vitro-in vivo correlations are in some cases unsuccessful. Here we enhance the scope of the lipid digestion test by incorporating an absorption 'sink' into the experimental model. An in vitro model of lipid digestion was coupled directly to a single pass in situ intestinal perfusion experiment in an anaesthetised rat. The model allowed simultaneous real-time analysis of the digestion and absorption of LBFs of fenofibrate and was employed to evaluate the influence of formulation digestion, supersaturation and precipitation on drug absorption. Formulations containing higher quantities of co-solvent and surfactant resulted in higher supersaturation and more rapid drug precipitation in vitro when compared to those containing higher quantities of lipid. In contrast, when the same formulations were examined using the coupled in vitro lipid digestion - in vivo absorption model, drug flux into the mesenteric vein was similar regardless of in vitro formulation performance. For some drugs, simple in vitro lipid digestion models may underestimate the potential for absorption from LBFs. Consistent with recent in vivo studies, drug absorption for rapidly absorbed drugs such as fenofibrate may occur even when drug precipitation is apparent during in vitro digestion.

  2. Extensive preclinical investigation of polymersomal formulation of doxorubicin versus Doxil-mimic formulation.

    Science.gov (United States)

    Alibolandi, Mona; Abnous, Khalil; Mohammadi, Marzieh; Hadizadeh, Farzin; Sadeghi, Fatemeh; Taghavi, Sahar; Jaafari, Mahmoud Reza; Ramezani, Mohammad

    2017-10-28

    Due to the severe cardiotoxicity of doxorubicin, its usage is limited. This shortcoming could be overcome by modifying pharmacokinetics of the drugs via preparation of various nanoplatforms. Doxil, a well-known FDA-approved nanoplatform of doxorubicin as antineoplastic agent, is frequently used in clinics in order to reduce cardiotoxicity of doxorubicin. Since Doxil shows some shortcomings in clinics including hand and food syndrome and very slow release pattern thus, there is a demand for the development and preparation of new doxorubicin nanoformulation with fewer side effects. The new formulation of the doxorubicin, synthesized previously by our group was extensively examined in the current study. This new formulation is doxorubicin encapsulated in PEG-PLGA polymersomes (PolyDOX). The main aim of the study was to compare the distribution and treatment efficacy of a new doxorubicin-polymersomal formulation (PolyDOX) with regular liposomal formulation (Doxil-mimic) in murine colon adenocarcinoma model. Additionally, the pathological, hematological changes, pharmacodynamics, biodistribution, tolerated dose and survival rate in vivo were evaluated and compared. Murine colon cancer model was induced by subcutaneous inoculation of BALB/c mice with C26 cells. Afterwards, either Doxil-mimic or PolyDOX was administered intravenously. The obtained results from biodistribution study showed a remarkable difference in the distribution of drugs in murine organs. In this regard, Doxil-mimic exhibited prolonged (48h) presence within liver tissues while PolyDOX preferentially accumulate in tumor and the presence in liver 48h post-treatment was significantly lower than that of Doxil-mimic. Obtained results demonstrated comparable final length of life for mice receiving either Doxil-mimic or PolyDOX formulations whereas tolerated dose of mice receiving Doxil-mimic was remarkably higher than those receiving PolyDOX. Therapeutic efficacy of formulation in term of tumor growth rate

  3. Physical and biochemical processes in composting material

    NARCIS (Netherlands)

    Ginkel, van J.T.

    1996-01-01


    In the composting process temperature and oxygen concentrations are essential parameters. A main objective of this thesis is to formulate a mathematical model which can predict these parameters. In this model a number of important material properties must be used: composition in terms of

  4. A Surface Formulation for Characteristic Modes of Material Bodies

    Science.gov (United States)

    1974-10-01

    42 CHAPTER 3 4: CHARACTERISTIC MODES - A SURFACE FORMULATION 3.1 Theoretical Development The treatment of characteristic modes for perfectly...cgs* i + y mp ein•£ (A6 V; 1 TP At • CA6 I --- 4 1 o#i ajk(X MPcoeo* + umpsin# ) Iim n p-l1 Tp -Ax sin#i + Ay co* ] i (A-7) A4 APPWOIX II fill I vIal

  5. A DDES model with a Smagorinsky-type eddy viscosity formulation and log-layer mismatch correction

    International Nuclear Information System (INIS)

    Reddy, K.R.; Ryon, J.A.; Durbin, P.A.

    2014-01-01

    Highlights: • An alternate DDES formulation is proposed via the eddy viscosity definition. • Eddy viscosity is expressed as a Smagorinsky-type formula. • Log-layer mismatch is corrected by changing the length scale definition. • Model is validated for 2D as well as 3D flows. - Abstract: The current work develops a variant of delayed detached eddy simulation (DDES) that could be characterized as limiting the production term. Previous formulations have been based on limiting the dissipation rate (Spalart et al., 2006). A clipped length scale is applied directly to the eddy viscosity, yielding a Smagorinsky-like formulation when the model is on the eddy simulation branch. That clipped eddy viscosity limits the production rate. The length scale is modified in order to account for the log-layer mismatch (a well-known issue with DDES), without using additional blending functions. Another view of our approach is that the subgrid eddy-viscosity is represented by a mixing length formula l 2 ω; in the eddy field ω acts like a filtered rate of strain. Our model is validated for channel flow as well as separated flows (backward-facing step, 2D periodic hills) and illustrated via an air-blast atomizer

  6. A three-dimensional multiphase flow model for assesing NAPL contamination in porous and fractured media, 1. Formulation

    Science.gov (United States)

    Huyakorn, P. S.; Panday, S.; Wu, Y. S.

    1994-06-01

    A three-dimensional, three-phase numerical model is presented for stimulating the movement on non-aqueous-phase liquids (NAPL's) through porous and fractured media. The model is designed for practical application to a wide variety of contamination and remediation scenarios involving light or dense NAPL's in heterogeneous subsurface systems. The model formulation is first derived for three-phase flow of water, NAPL and air (or vapor) in porous media. The formulation is then extended to handle fractured systems using the dual-porosity and discrete-fracture modeling approaches The model accommodates a wide variety of boundary conditions, including withdrawal and injection well conditions which are treated rigorously using fully implicit schemes. The three-phase of formulation collapses to its simpler forms when air-phase dynamics are neglected, capillary effects are neglected, or two-phase-air-liquid, liquid-liquid systems with one or two active phases are considered. A Galerkin procedure with upstream weighting of fluid mobilities, storage matrix lumping, and fully implicit treatment of nonlinear coefficients and well conditions is used. A variety of nodal connectivity schemes leading to finite-difference, finite-element and hybrid spatial approximations in three dimensions are incorporated in the formulation. Selection of primary variables and evaluation of the terms of the Jacobian matrix for the Newton-Raphson linearized equations is discussed. The various nodal lattice options, and their significance to the computational time and memory requirements with regards to the block-Orthomin solution scheme are noted. Aggressive time-stepping schemes and under-relaxation formulas implemented in the code further alleviate the computational burden.

  7. A Corrected Formulation of the Multilayer Model (MLM) for Inferring Gaseous Dry Deposition to Vegetated Surfaces

    Science.gov (United States)

    Saylor, Rick D.; Wolfe, Glenn M.; Meyers, Tilden P.; Hicks, Bruce B.

    2014-01-01

    The Multilayer Model (MLM) has been used for many years to infer dry deposition fluxes from measured trace species concentrations and standard meteorological measurements for national networks in the U.S., including the U.S. Environmental Protection Agency's Clean Air Status and Trends Network (CASTNet). MLM utilizes a resistance analogy to calculate deposition velocities appropriate for whole vegetative canopies, while employing a multilayer integration to account for vertically varying meteorology, canopy morphology and radiative transfer within the canopy. However, the MLM formulation, as it was originally presented and as it has been subsequently employed, contains a non-physical representation related to the leaf-level quasi-laminar boundary layer resistance that affects the calculation of the total canopy resistance. In this note, the non-physical representation of the canopy resistance as originally formulated in MLM is discussed and a revised, physically consistent, formulation is suggested as a replacement. The revised canopy resistance formulation reduces estimates of HNO3 deposition velocities by as much as 38% during mid-day as compared to values generated by the original formulation. Inferred deposition velocities for SO2 and O3 are not significantly altered by the change in formulation (less than 3%). Inferred deposition loadings of oxidized and total nitrogen from CASTNet data may be reduced by 10-20% and 5-10%, respectively, for the Eastern U. S. when employing the revised formulation of MLM as compared to the original formulation.

  8. Anti Inflammatory and Anti Arthritic Activity of Different Milk Based Formulation of Curcumin in Rat Model.

    Science.gov (United States)

    Sumeet, Gupta; Rachna, Kumria; Samrat, Chauhan; Ipshita, Chattopadhyaya; Vikas, Jhawat; Manu, Sharma

    2018-02-14

    Inflammation is the key mediator for arthritis. Plant based products are most useful for treating various disorders, but at the same time drug absorption is utmost important for effective therapy. The present aim of our study was to find out the therapeutic concern in pharmacokinetic and pharmacodynamic parameters in an arthritis induced rat model. Carregenan and complete Freud's adjuvant, both were used for an arthritis induction as an animal model. Formulation of curcumin was prepared in different quality of milk brand, high fat milk with ghee and in an aqueous suspension. They were administered orally to the rats for 21 days continuously. Different pharmacodyanmic parameters were analyzed which include percentage inhibition of inflammation, cytokines (IL-6 and TNF-α), hematological levels, X-Rays and histology condition. Pharmacokinetics was also determined like Cmax, Tmax and Kel using HPLC method. The result concludes that, curcumin in full fat milk with ghee and full fat curcumin formulation treated group showed a higher statistical significant effect in the prevention of inflammation in both the models. The presence of curcumin in plasma was higher only in full fat with ghee formulation and full fat milk formulation treated group when compared to the other groups. Hence, it concludes that the presence of adjuvant act as an enhancer can increase the bioavailability of curcumin for achieving maximum effectiveness. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  9. EPR-based material modelling of soils

    Science.gov (United States)

    Faramarzi, Asaad; Alani, Amir M.

    2013-04-01

    In the past few decades, as a result of the rapid developments in computational software and hardware, alternative computer aided pattern recognition approaches have been introduced to modelling many engineering problems, including constitutive modelling of materials. The main idea behind pattern recognition systems is that they learn adaptively from experience and extract various discriminants, each appropriate for its purpose. In this work an approach is presented for developing material models for soils based on evolutionary polynomial regression (EPR). EPR is a recently developed hybrid data mining technique that searches for structured mathematical equations (representing the behaviour of a system) using genetic algorithm and the least squares method. Stress-strain data from triaxial tests are used to train and develop EPR-based material models for soil. The developed models are compared with some of the well-known conventional material models and it is shown that EPR-based models can provide a better prediction for the behaviour of soils. The main benefits of using EPR-based material models are that it provides a unified approach to constitutive modelling of all materials (i.e., all aspects of material behaviour can be implemented within a unified environment of an EPR model); it does not require any arbitrary choice of constitutive (mathematical) models. In EPR-based material models there are no material parameters to be identified. As the model is trained directly from experimental data therefore, EPR-based material models are the shortest route from experimental research (data) to numerical modelling. Another advantage of EPR-based constitutive model is that as more experimental data become available, the quality of the EPR prediction can be improved by learning from the additional data, and therefore, the EPR model can become more effective and robust. The developed EPR-based material models can be incorporated in finite element (FE) analysis.

  10. Comparison of numerical formulations for the modeling of tensile loaded suction buckets

    DEFF Research Database (Denmark)

    Sørensen, Emil Smed; Clausen, Johan Christian; Damkilde, Lars

    2017-01-01

    The tensile resistance of a suction bucket is investigated using three different numerical formulations. The first formulation utilizes the three-field u-p-U formulation accounting for solid and fluid displacements, u and U, as well as the pore-fluid pressure, p. The two other formulations compri...

  11. Sensitivity of secondary production and export flux to choice of trophic transfer formulation in marine ecosystem models

    Science.gov (United States)

    Anderson, Thomas R.; Hessen, Dag O.; Mitra, Aditee; Mayor, Daniel J.; Yool, Andrew

    2013-09-01

    The performance of four contemporary formulations describing trophic transfer, which have strongly contrasting assumptions as regards the way that consumer growth is calculated as a function of food C:N ratio and in the fate of non-limiting substrates, was compared in two settings: a simple steady-state ecosystem model and a 3D biogeochemical general circulation model. Considerable variation was seen in predictions for primary production, transfer to higher trophic levels and export to the ocean interior. The physiological basis of the various assumptions underpinning the chosen formulations is open to question. Assumptions include Liebig-style limitation of growth, strict homeostasis in zooplankton biomass, and whether excess C and N are released by voiding in faecal pellets or via respiration/excretion post-absorption by the gut. Deciding upon the most appropriate means of formulating trophic transfer is not straightforward because, despite advances in ecological stoichiometry, the physiological mechanisms underlying these phenomena remain incompletely understood. Nevertheless, worrying inconsistencies are evident in the way in which fundamental transfer processes are justified and parameterised in the current generation of marine ecosystem models, manifested in the resulting simulations of ocean biogeochemistry. Our work highlights the need for modellers to revisit and appraise the equations and parameter values used to describe trophic transfer in marine ecosystem models.

  12. Tactile friction of topical formulations.

    Science.gov (United States)

    Skedung, L; Buraczewska-Norin, I; Dawood, N; Rutland, M W; Ringstad, L

    2016-02-01

    The tactile perception is essential for all types of topical formulations (cosmetic, pharmaceutical, medical device) and the possibility to predict the sensorial response by using instrumental methods instead of sensory testing would save time and cost at an early stage product development. Here, we report on an instrumental evaluation method using tactile friction measurements to estimate perceptual attributes of topical formulations. Friction was measured between an index finger and an artificial skin substrate after application of formulations using a force sensor. Both model formulations of liquid crystalline phase structures with significantly different tactile properties, as well as commercial pharmaceutical moisturizing creams being more tactile-similar, were investigated. Friction coefficients were calculated as the ratio of the friction force to the applied load. The structures of the model formulations and phase transitions as a result of water evaporation were identified using optical microscopy. The friction device could distinguish friction coefficients between the phase structures, as well as the commercial creams after spreading and absorption into the substrate. In addition, phase transitions resulting in alterations in the feel of the formulations could be detected. A correlation was established between skin hydration and friction coefficient, where hydrated skin gave rise to higher friction. Also a link between skin smoothening and finger friction was established for the commercial moisturizing creams, although further investigations are needed to analyse this and correlations with other sensorial attributes in more detail. The present investigation shows that tactile friction measurements have potential as an alternative or complement in the evaluation of perception of topical formulations. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  13. Effects of excipients and formulation types on compressional properties of diclofenac.

    Science.gov (United States)

    Ayorinde, John Oluwasogo; Itiola, Adelanwa Oludele; Odeniyi, Michael Ayodele

    2013-01-01

    Different models used to characterize powders have not been extended to granule behavior in tablet technology. Hence, Kawakaita equation and tapping experiments were used to compare the effect of different excipients on the properties of powders and granules in diclofenac formulations containing corn starch (DCS), lactose (DL) and dicalcium phosphate (DDCP). The binding properties of Albizia gum from Albizia zygia tree were also compared with those of gelatin in the granule formulations. Diclofenac (powder and granule) formulations were characterized for particle size and particle size distribution. Volume reduction was done by subjecting materials to N number of taps. Values of maximum volume reduction (a 'determined') and index of compressibility (b) were obtained from the plots of N/C against powder volume reduction with tapping (C). Another value for a (a' calculated) were obtained from Kawakita equations. The individual and interaction effects of type of diluent (X1) and formulation (X2) on the characteristics of powder and granule were determined, using a 22 factorial experimental design. The mean granule size increased with binder concentration, larger granules were obtained with Albizia gum than gelatin in the formulations. In DCS, a was lower in granules, granules had higher values of a than powders in DDCP (p Diclofenac had higher compressibility index (b) with the excipients. Generally, b was higher in granules than in powder formulations (p properties. Granules and powders can be characterized using the same parameters. Albizia gum was shown to confer good flow and compression properties in diclofenac formulations.

  14. Improved Stability of a Model IgG3 by DoE-Based Evaluation of Buffer Formulations

    Directory of Open Access Journals (Sweden)

    Brittany K. Chavez

    2016-01-01

    Full Text Available Formulating appropriate storage conditions for biopharmaceutical proteins is essential for ensuring their stability and thereby their purity, potency, and safety over their shelf-life. Using a model murine IgG3 produced in a bioreactor system, multiple formulation compositions were systematically explored in a DoE design to optimize the stability of a challenging antibody formulation worst case. The stability of the antibody in each buffer formulation was assessed by UV/VIS absorbance at 280 nm and 410 nm and size exclusion high performance liquid chromatography (SEC to determine overall solubility, opalescence, and aggregate formation, respectively. Upon preliminary testing, acetate was eliminated as a potential storage buffer due to significant visible precipitate formation. An additional 24 full factorial DoE was performed that combined the stabilizing effect of arginine with the buffering capacity of histidine. From this final DoE, an optimized formulation of 200 mM arginine, 50 mM histidine, and 100 mM NaCl at a pH of 6.5 was identified to substantially improve stability under long-term storage conditions and after multiple freeze/thaw cycles. Thus, our data highlights the power of DoE based formulation screening approaches even for challenging monoclonal antibody molecules.

  15. Unconditionally stable WLP-FDTD method for the modeling of electromagnetic wave propagation in gyrotropic materials.

    Science.gov (United States)

    Li, Zheng-Wei; Xi, Xiao-Li; Zhang, Jin-Sheng; Liu, Jiang-fan

    2015-12-14

    The unconditional stable finite-difference time-domain (FDTD) method based on field expansion with weighted Laguerre polynomials (WLPs) is applied to model electromagnetic wave propagation in gyrotropic materials. The conventional Yee cell is modified to have the tightly coupled current density components located at the same spatial position. The perfectly matched layer (PML) is formulated in a stretched-coordinate (SC) system with the complex-frequency-shifted (CFS) factor to achieve good absorption performance. Numerical examples are shown to validate the accuracy and efficiency of the proposed method.

  16. FUNCTIONAL MODEL OF THE MATERIAL RESOURCES MANAGEMENT FOR PROJECTS OF THE CREATION OF NEW TECHNIQUES

    Directory of Open Access Journals (Sweden)

    S. Yu. Danshyna

    2016-01-01

    Full Text Available The article is devoted to problem of material management arising in the implementation of projects for the development and creation (modernization of the new techniques. The uniqueness of the projects, their limit on the cost and time does not allow the use of traditional approaches to resource management. Such projects are often implemented in the development of companies; where it is not possible to abandon the traditional operating methods of management. The aim of the article is a formalization of the process of material management of projects, a description of its information flows for integrate into the project management practices and for improve the efficiency of material management. For the systematization of information arising from the material resources management, invited the set-theoretic representation of the management process. According with the requirements of project management standards were described the sets and defined rules of their transformation. Specification of the set-theoretic representation helped to establish the area and limits of the modelling process. Further decomposition process became the basis of the functional model, constructed in accordance with the methodology IDEF 0. A graphical representation of the model allows you to visualize the process at different levels of detail. For specification of issues related to the organization and promotion of material flow, were developed functional models of sub-processes and were described the identified data-flows. For the harmonization of process and project approaches formulated conditions for evaluating the efficiency of material management. The developed models can be the basis for designing the structure of companies, for regulation of their project activities, as well as for establishing an information system of management resources of projects.

  17. Mechanistic formulation of a lineal-quadratic-linear (LQL) model: Split-dose experiments and exponentially decaying sources

    International Nuclear Information System (INIS)

    Guerrero, Mariana; Carlone, Marco

    2010-01-01

    Purpose: In recent years, several models were proposed that modify the standard linear-quadratic (LQ) model to make the predicted survival curve linear at high doses. Most of these models are purely phenomenological and can only be applied in the particular case of acute doses per fraction. The authors consider a mechanistic formulation of a linear-quadratic-linear (LQL) model in the case of split-dose experiments and exponentially decaying sources. This model provides a comprehensive description of radiation response for arbitrary dose rate and fractionation with only one additional parameter. Methods: The authors use a compartmental formulation of the LQL model from the literature. They analytically solve the model's differential equations for the case of a split-dose experiment and for an exponentially decaying source. They compare the solutions of the survival fraction with the standard LQ equations and with the lethal-potentially lethal (LPL) model. Results: In the case of the split-dose experiment, the LQL model predicts a recovery ratio as a function of dose per fraction that deviates from the square law of the standard LQ. The survival fraction as a function of time between fractions follows a similar exponential law as the LQ but adds a multiplicative factor to the LQ parameter β. The LQL solution for the split-dose experiment is very close to the LPL prediction. For the decaying source, the differences between the LQL and the LQ solutions are negligible when the half-life of the source is much larger than the characteristic repair time, which is the clinically relevant case. Conclusions: The compartmental formulation of the LQL model can be used for arbitrary dose rates and provides a comprehensive description of dose response. When the survival fraction for acute doses is linear for high dose, a deviation of the square law formula of the recovery ratio for split doses is also predicted.

  18. Mechanism for enhanced absorption of a solid dispersion formulation of LY2300559 using the artificial stomach duodenum model.

    Science.gov (United States)

    Polster, Christopher S; Wu, Sy-Juen; Gueorguieva, Ivelina; Sperry, David C

    2015-04-06

    An artificial stomach duodenum (ASD) model has been used to demonstrate the performance difference between two formulations of LY2300559, a low-solubility acidic developmental drug. The two formulations investigated were a conventional high-shear wet granulation (HSWG) formulation and a solid dispersion formulation. A pharmacokinetic study in humans demonstrated the enhanced performance of the solid dispersion formulation relative to the HSWG formulation. The Cmax and AUC of the solid dispersion was 2.6 and 1.9 times greater, respectively, compared to the HSWG formulation. In the ASD, the solid dispersion formulation performance was characterized by three main phases: (1) rapid release in the stomach, creating a supersaturated concentration of drug, (2) precipitation in the stomach, and (3) rapid redissolution of the precipitate in the duodenum to concentration levels that are supersaturated relative to crystalline drug. A series of complementary experiments were employed to describe this performance behavior mechanistically. Imaging experiments with a pH indicating dye showed that local pH gradients from meglumine in the solid dispersion formulation were responsible for creating a high initial supersaturation concentration in the stomach. Upon dissipation of meglumine, the drug precipitated in the stomach as an amorphous solid. Because the precipitated drug is in an amorphous form, it can then rapidly redissolve as it transits to the more neutral environment of the duodenum. This unexpected sequence of physical state changes gives a mechanistic explanation for the enhanced in vivo performance of the solid dispersion formulation relative to the HSWG formulation.

  19. Formulation of lubricating grease using Beeswax thickener

    Science.gov (United States)

    Suhaila, N.; Japar, A.; Aizudin, M.; Aziz, A.; Najib Razali, Mohd

    2018-04-01

    The issues on environmental pollution has brought the industries to seek the alternative green solutions for lubricating grease formulation. The significant challenges in producing modified grease are in which considering the chosen thickener as one of the environmental friendly material. The main purposes of the current research were to formulate lubricant grease using different types of base oils and to study the effect of thickener on the formulated lubricant grease. Used oil and motor oil were used as the base oils for the grease preparation. Beeswax and Damar were used as thickener and additive. The grease is tested based on its consistency, stability and oil bleeding. The prepared greases achieved grease consistency of grade 2 and 3 except for grease with unfiltered used oil. Grease formulated with used oil and synthetic oil tend to harden and loss its lubricating ability under high temperature compared to motor oil’ grease. Grease modification using environmental friendly thickener were successfully formulated but it is considered as a low temperature grease as the beeswax have low melting point of 62°C-65°C.

  20. A Generalized Orthotropic Elasto-Plastic Material Model for Impact Analysis

    Science.gov (United States)

    Hoffarth, Canio

    Composite materials are now beginning to provide uses hitherto reserved for metals in structural systems such as airframes and engine containment systems, wraps for repair and rehabilitation, and ballistic/blast mitigation systems. These structural systems are often subjected to impact loads and there is a pressing need for accurate prediction of deformation, damage and failure. There are numerous material models that have been developed to analyze the dynamic impact response of polymer matrix composites. However, there are key features that are missing in those models that prevent them from providing accurate predictive capabilities. In this dissertation, a general purpose orthotropic elasto-plastic computational constitutive material model has been developed to predict the response of composites subjected to high velocity impacts. The constitutive model is divided into three components - deformation model, damage model and failure model, with failure to be added at a later date. The deformation model generalizes the Tsai-Wu failure criteria and extends it using a strain-hardening-based orthotropic yield function with a non-associative flow rule. A strain equivalent formulation is utilized in the damage model that permits plastic and damage calculations to be uncoupled and capture the nonlinear unloading and local softening of the stress-strain response. A diagonal damage tensor is defined to account for the directionally dependent variation of damage. However, in composites it has been found that loading in one direction can lead to damage in multiple coordinate directions. To account for this phenomena, the terms in the damage matrix are semi-coupled such that the damage in a particular coordinate direction is a function of the stresses and plastic strains in all of the coordinate directions. The overall framework is driven by experimental tabulated temperature and rate-dependent stress-strain data as well as data that characterizes the damage matrix and failure

  1. Characterization of 99m Tc-Macroaggregates formulation

    International Nuclear Information System (INIS)

    Rivero Santamaria, Alejandro; Alfonso Marin, Yumisley; Zayas Crespo, Francisco; Mesa Duennas, Niurka; Rodriguez Fernandez, Rolando

    2009-01-01

    The aim of this paper was to study the formation and radiolabelling of 99m Tcalbumin macroaggregates. Comparatives studies of three formulations to establish the role of denaturalization and Sn 2+ in the formulation of 99m TcSnMAA were carried out. A qualitative structural analysis of human serum albumin was performed in order to give a description of the studied system using a graph model. The results showed important differences in the radiochemical behavior of the three formulations. 99m TcSnMAA (A) formulation had the best behavior, with radiochemical purity close to 95% and dissociation below 20% after 24 h of being radiolabeled. The graph model explained with simple representations the process involved in the studied system; thus allowing a better knowledge of it. (author)

  2. Prednisone raw material characterization and formulation development

    Directory of Open Access Journals (Sweden)

    Leonardo Henrique Toehwé

    2018-01-01

    Full Text Available ABSTRACT Solid dosage forms for oral use, particularly tablets, are the most highly used dosage forms in therapy because they are easily administered, have high productivity and relatively low cost and provide a more stable drug to form a semi-solid net. Numerous parameters influence the quality of the final dosage form. In this study, the dissolution profile of 20-mg prednisone tablets bioequivalent to the reference product and three test formulations were evaluated using stability testing. During the study, prednisone tablets and the active pharmaceutical ingredient (API prednisone from two different manufacturers were characterized with respect to their physical and physicochemical properties. The results showed that the dissolution profiles of the test batches and the reference product did not retain pharmaceutical equivalence throughout all the stability study. Notably, both samples of API prednisone were of the same crystal form, and any phase transition that occurred during the study could not be attributed to dissolution variation during stability.

  3. Formulation of probabilistic models of protein structure in atomic detail using the reference ratio method.

    Science.gov (United States)

    Valentin, Jan B; Andreetta, Christian; Boomsma, Wouter; Bottaro, Sandro; Ferkinghoff-Borg, Jesper; Frellsen, Jes; Mardia, Kanti V; Tian, Pengfei; Hamelryck, Thomas

    2014-02-01

    We propose a method to formulate probabilistic models of protein structure in atomic detail, for a given amino acid sequence, based on Bayesian principles, while retaining a close link to physics. We start from two previously developed probabilistic models of protein structure on a local length scale, which concern the dihedral angles in main chain and side chains, respectively. Conceptually, this constitutes a probabilistic and continuous alternative to the use of discrete fragment and rotamer libraries. The local model is combined with a nonlocal model that involves a small number of energy terms according to a physical force field, and some information on the overall secondary structure content. In this initial study we focus on the formulation of the joint model and the evaluation of the use of an energy vector as a descriptor of a protein's nonlocal structure; hence, we derive the parameters of the nonlocal model from the native structure without loss of generality. The local and nonlocal models are combined using the reference ratio method, which is a well-justified probabilistic construction. For evaluation, we use the resulting joint models to predict the structure of four proteins. The results indicate that the proposed method and the probabilistic models show considerable promise for probabilistic protein structure prediction and related applications. Copyright © 2013 Wiley Periodicals, Inc.

  4. Modeling multiphase materials processes

    CERN Document Server

    Iguchi, Manabu

    2010-01-01

    ""Modeling Multiphase Materials Processes: Gas-Liquid Systems"" describes the methodology and application of physical and mathematical modeling to multi-phase flow phenomena in materials processing. The book focuses on systems involving gas-liquid interaction, the most prevalent in current metallurgical processes. The performance characteristics of these processes are largely dependent on transport phenomena. This volume covers the inherent characteristics that complicate the modeling of transport phenomena in such systems, including complex multiphase structure, intense turbulence, opacity of

  5. Waste association in mass for coating formulations: a viable alternative to dispose

    International Nuclear Information System (INIS)

    Ferreira, E.A.C.; Soares Filho, J.E.; Souza, F.J.P.; Almeida, V.S. de; Oliveira, T.M. de

    2016-01-01

    The ceramic coatings industries are able to use in their formulations whose waste Eco disposal make the costly disposal, being able to reduce production costs by replacing traditional inputs for mining and industrial waste. Their raw materials are classified as plasticizers, fluxes and structural according to their physicochemical characteristics. Since waste falls within these classifications, their use in formulations becomes a viable and attractive alternative from an ecological point of view and marketing. Several studies have attested to waste incorporating viability porcelains formulations, however, is not common to find studies evaluating the addition of more than one simultaneously in formulations. It is the objective of the study, to examine whether fine waste rock and kaolin together with traditional raw materials are able to produce porcelain wet as technological properties defined by the NBR-13818. (author)

  6. Affine group formulation of the Standard Model coupled to gravity

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Ching-Yi, E-mail: l2897107@mail.ncku.edu.tw [Department of Physics, National Cheng Kung University, Taiwan (China); Ita, Eyo, E-mail: ita@usna.edu [Department of Physics, US Naval Academy, Annapolis, MD (United States); Soo, Chopin, E-mail: cpsoo@mail.ncku.edu.tw [Department of Physics, National Cheng Kung University, Taiwan (China)

    2014-04-15

    In this work we apply the affine group formalism for four dimensional gravity of Lorentzian signature, which is based on Klauder’s affine algebraic program, to the formulation of the Hamiltonian constraint of the interaction of matter and all forces, including gravity with non-vanishing cosmological constant Λ, as an affine Lie algebra. We use the hermitian action of fermions coupled to gravitation and Yang–Mills theory to find the density weight one fermionic super-Hamiltonian constraint. This term, combined with the Yang–Mills and Higgs energy densities, are composed with York’s integrated time functional. The result, when combined with the imaginary part of the Chern–Simons functional Q, forms the affine commutation relation with the volume element V(x). Affine algebraic quantization of gravitation and matter on equal footing implies a fundamental uncertainty relation which is predicated upon a non-vanishing cosmological constant. -- Highlights: •Wheeler–DeWitt equation (WDW) quantized as affine algebra, realizing Klauder’s program. •WDW formulated for interaction of matter and all forces, including gravity, as affine algebra. •WDW features Hermitian generators in spite of fermionic content: Standard Model addressed. •Constructed a family of physical states for the full, coupled theory via affine coherent states. •Fundamental uncertainty relation, predicated on non-vanishing cosmological constant.

  7. Hierarchical modeling of active materials

    International Nuclear Information System (INIS)

    Taya, Minoru

    2003-01-01

    Intelligent (or smart) materials are increasingly becoming key materials for use in actuators and sensors. If an intelligent material is used as a sensor, it can be embedded in a variety of structure functioning as a health monitoring system to make their life longer with high reliability. If an intelligent material is used as an active material in an actuator, it plays a key role of making dynamic movement of the actuator under a set of stimuli. This talk intends to cover two different active materials in actuators, (1) piezoelectric laminate with FGM microstructure, (2) ferromagnetic shape memory alloy (FSMA). The advantage of using the FGM piezo laminate is to enhance its fatigue life while maintaining large bending displacement, while that of use in FSMA is its fast actuation while providing a large force and stroke capability. Use of hierarchical modeling of the above active materials is a key design step in optimizing its microstructure for enhancement of their performance. I will discuss briefly hierarchical modeling of the above two active materials. For FGM piezo laminate, we will use both micromechanical model and laminate theory, while for FSMA, the modeling interfacing nano-structure, microstructure and macro-behavior is discussed. (author)

  8. Modelling of buffer material behaviour

    International Nuclear Information System (INIS)

    Boergesson, L.

    1988-12-01

    Some material models of smectite rich buffer material suited for nuclear waste isolation are accounted for in the report. The application of these models in finite element calculations of some scenarios and performance are also shown. The rock shear scenario has been closely studied with comparisons between calculated and measured results. Sensitivity analyses of the effect of changing the density of the clay and the rate of shear have been performed as well as one calculation using a hollow steel cylinder. Material models and finite element calculations of canister settlement, thermomechanical effects and swelling are also accounted for. The report shows the present state of the work to establish material models and calculation tools which can be used at the final design of the repository. (31 illustrations)

  9. Hyper-resolution hydrological modeling: Completeness of Formulation, Appropriateness of Descritization, and Physical LImits of Predictability

    Science.gov (United States)

    Ogden, F. L.

    2017-12-01

    HIgh performance computing and the widespread availabilities of geospatial physiographic and forcing datasets have enabled consideration of flood impact predictions with longer lead times and more detailed spatial descriptions. We are now considering multi-hour flash flood forecast lead times at the subdivision level in so-called hydroblind regions away from the National Hydrography network. However, the computational demands of such models are high, necessitating a nested simulation approach. Research on hyper-resolution hydrologic modeling over the past three decades have illustrated some fundamental limits on predictability that are simultaneously related to runoff generation mechanism(s), antecedent conditions, rates and total amounts of precipitation, discretization of the model domain, and complexity or completeness of the model formulation. This latter point is an acknowledgement that in some ways hydrologic understanding in key areas related to land use, land cover, tillage practices, seasonality, and biological effects has some glaring deficiencies. This presentation represents a review of what is known related to the interacting effects of precipitation amount, model spatial discretization, antecedent conditions, physiographic characteristics and model formulation completeness for runoff predictions. These interactions define a region in multidimensional forcing, parameter and process space where there are in some cases clear limits on predictability, and in other cases diminished uncertainty.

  10. Formulation of probabilistic models of protein structure in atomic detail using the reference ratio method

    DEFF Research Database (Denmark)

    Valentin, Jan B.; Andreetta, Christian; Boomsma, Wouter

    2014-01-01

    We propose a method to formulate probabilistic models of protein structure in atomic detail, for a given amino acid sequence, based on Bayesian principles, while retaining a close link to physics. We start from two previously developed probabilistic models of protein structure on a local length s....... The results indicate that the proposed method and the probabilistic models show considerable promise for probabilistic protein structure prediction and related applications. © 2013 Wiley Periodicals, Inc....

  11. Super-Group Field Cosmology in Batalin-Vilkovisky Formulation

    Science.gov (United States)

    Upadhyay, Sudhaker

    2016-09-01

    In this paper we study the third quantized super-group field cosmology, a model in multiverse scenario, in Batalin-Vilkovisky (BV) formulation. Further, we propose the superfield/super-antifield dependent BRST symmetry transformations. Within this formulation we establish connection between the two different solutions of the quantum master equation within the BV formulation.

  12. Finite element formulation of viscoelastic sandwich beams using fractional derivative operators

    Science.gov (United States)

    Galucio, A. C.; Deü, J.-F.; Ohayon, R.

    This paper presents a finite element formulation for transient dynamic analysis of sandwich beams with embedded viscoelastic material using fractional derivative constitutive equations. The sandwich configuration is composed of a viscoelastic core (based on Timoshenko theory) sandwiched between elastic faces (based on Euler-Bernoulli assumptions). The viscoelastic model used to describe the behavior of the core is a four-parameter fractional derivative model. Concerning the parameter identification, a strategy to estimate the fractional order of the time derivative and the relaxation time is outlined. Curve-fitting aspects are focused, showing a good agreement with experimental data. In order to implement the viscoelastic model into the finite element formulation, the Grünwald definition of the fractional operator is employed. To solve the equation of motion, a direct time integration method based on the implicit Newmark scheme is used. One of the particularities of the proposed algorithm lies in the storage of displacement history only, reducing considerably the numerical efforts related to the non-locality of fractional operators. After validations, numerical applications are presented in order to analyze truncation effects (fading memory phenomena) and solution convergence aspects.

  13. Global nuclear material control model

    International Nuclear Information System (INIS)

    Dreicer, J.S.; Rutherford, D.A.

    1996-01-01

    The nuclear danger can be reduced by a system for global management, protection, control, and accounting as part of a disposition program for special nuclear materials. The development of an international fissile material management and control regime requires conceptual research supported by an analytical and modeling tool that treats the nuclear fuel cycle as a complete system. Such a tool must represent the fundamental data, information, and capabilities of the fuel cycle including an assessment of the global distribution of military and civilian fissile material inventories, a representation of the proliferation pertinent physical processes, and a framework supportive of national or international perspective. They have developed a prototype global nuclear material management and control systems analysis capability, the Global Nuclear Material Control (GNMC) model. The GNMC model establishes the framework for evaluating the global production, disposition, and safeguards and security requirements for fissile nuclear material

  14. Two-dimensional model for subthreshold current and subthreshold swing of graded-channel dual-material double-gate (GCDMDG) MOSFETs

    Science.gov (United States)

    Goel, Ekta; Kumar, Sanjay; Singh, Balraj; Singh, Kunal; Jit, Satyabrata

    2017-06-01

    The subthreshold performance of graded-channel dual-material double-gate (GCDMDG) MOSFETs is examined through two-dimensional (2D) analytical modeling of subthreshold-current (SC) and subthreshold-swing (SS). The potential function obtained by using the parabolic approach to solve the 2D Poisson's equation, has been used to formulate SC and SS characteristics of the device. The variations of SS against different device parameters have been obtained with the help of effective conduction path parameter. The SC and SS characteristics of the GCDMDG MOS transistor have been compared with those of the dual-material double-gate (DMDG) and simple graded-channel double-gate (GCDG) MOS structures to show its better subthreshold characteristics over the latter two devices. The results of the developed model are well-agreed with the commercially available SILVACO ATLAS™ simulator data.

  15. Element free Galerkin formulation of composite beam with longitudinal slip

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Dzulkarnain; Mokhtaram, Mokhtazul Haizad [Department of Civil Engineering, Universiti Selangor, Bestari Jaya, Selangor (Malaysia); Badli, Mohd Iqbal; Yassin, Airil Y. Mohd [Faculty of Civil Engineering, Universiti Teknologi Malaysia, Skudai, Johor (Malaysia)

    2015-05-15

    Behaviour between two materials in composite beam is assumed partially interact when longitudinal slip at its interfacial surfaces is considered. Commonly analysed by the mesh-based formulation, this study used meshless formulation known as Element Free Galerkin (EFG) method in the beam partial interaction analysis, numerically. As meshless formulation implies that the problem domain is discretised only by nodes, the EFG method is based on Moving Least Square (MLS) approach for shape functions formulation with its weak form is developed using variational method. The essential boundary conditions are enforced by Langrange multipliers. The proposed EFG formulation gives comparable results, after been verified by analytical solution, thus signify its application in partial interaction problems. Based on numerical test results, the Cubic Spline and Quartic Spline weight functions yield better accuracy for the EFG formulation, compares to other proposed weight functions.

  16. A new approach for modeling composite materials

    Science.gov (United States)

    Alcaraz de la Osa, R.; Moreno, F.; Saiz, J. M.

    2013-03-01

    The increasing use of composite materials is due to their ability to tailor materials for special purposes, with applications evolving day by day. This is why predicting the properties of these systems from their constituents, or phases, has become so important. However, assigning macroscopical optical properties for these materials from the bulk properties of their constituents is not a straightforward task. In this research, we present a spectral analysis of three-dimensional random composite typical nanostructures using an Extension of the Discrete Dipole Approximation (E-DDA code), comparing different approaches and emphasizing the influences of optical properties of constituents and their concentration. In particular, we hypothesize a new approach that preserves the individual nature of the constituents introducing at the same time a variation in the optical properties of each discrete element that is driven by the surrounding medium. The results obtained with this new approach compare more favorably with the experiment than previous ones. We have also applied it to a non-conventional material composed of a metamaterial embedded in a dielectric matrix. Our version of the Discrete Dipole Approximation code, the EDDA code, has been formulated specifically to tackle this kind of problem, including materials with either magnetic and tensor properties.

  17. Cyclic voltammetry modeling of proton transport effects on redox charge storage in conductive materials: application to a TiO2 mesoporous film.

    Science.gov (United States)

    Kim, Y S; Balland, V; Limoges, B; Costentin, C

    2017-07-21

    Cyclic voltammetry is a particularly useful tool for characterizing charge accumulation in conductive materials. A simple model is presented to evaluate proton transport effects on charge storage in conductive materials associated with a redox process coupled with proton insertion in the bulk material from an aqueous buffered solution, a situation frequently encountered in metal oxide materials. The interplay between proton transport inside and outside the materials is described using a formulation of the problem through introduction of dimensionless variables that allows defining the minimum number of parameters governing the cyclic voltammetry response with consideration of a simple description of the system geometry. This approach is illustrated by analysis of proton insertion in a mesoporous TiO 2 film.

  18. Abelian embedding formulation of the Stueckelberg model and its power-counting renormalizable extension

    International Nuclear Information System (INIS)

    Quadri, Andrea

    2006-01-01

    We elucidate the geometry of the polynomial formulation of the non-Abelian Stueckelberg mechanism. We show that a natural off-shell nilpotent Becchi-Rouet-Stora-Tyutin (BRST) differential exists allowing to implement the constraint on the σ field by means of BRST techniques. This is achieved by extending the ghost sector by an additional U(1) factor (Abelian embedding). An important consequence is that a further BRST-invariant but not gauge-invariant mass term can be written for the non-Abelian gauge fields. As all versions of the Stueckelberg theory, also the Abelian embedding formulation yields a nonpower-counting renormalizable theory in D=4. We then derive its natural power-counting renormalizable extension and show that the physical spectrum contains a physical massive scalar particle. Physical unitarity is also established. This model implements the spontaneous symmetry breaking in the Abelian embedding formalism

  19. A General State-Space Formulation for Online Scheduling

    Directory of Open Access Journals (Sweden)

    Dhruv Gupta

    2017-11-01

    Full Text Available We present a generalized state-space model formulation particularly motivated by an online scheduling perspective, which allows modeling (1 task-delays and unit breakdowns; (2 fractional delays and unit downtimes, when using discrete-time grid; (3 variable batch-sizes; (4 robust scheduling through the use of conservative yield estimates and processing times; (5 feedback on task-yield estimates before the task finishes; (6 task termination during its execution; (7 post-production storage of material in unit; and (8 unit capacity degradation and maintenance. Through these proposed generalizations, we enable a natural way to handle routinely encountered disturbances and a rich set of corresponding counter-decisions. Thereby, greatly simplifying and extending the possible application of mathematical programming based online scheduling solutions to diverse application settings. Finally, we demonstrate the effectiveness of this model on a case study from the field of bio-manufacturing.

  20. A constrained multinomial Probit route choice model in the metro network: Formulation, estimation and application

    Science.gov (United States)

    Zhang, Yongsheng; Wei, Heng; Zheng, Kangning

    2017-01-01

    Considering that metro network expansion brings us with more alternative routes, it is attractive to integrate the impacts of routes set and the interdependency among alternative routes on route choice probability into route choice modeling. Therefore, the formulation, estimation and application of a constrained multinomial probit (CMNP) route choice model in the metro network are carried out in this paper. The utility function is formulated as three components: the compensatory component is a function of influencing factors; the non-compensatory component measures the impacts of routes set on utility; following a multivariate normal distribution, the covariance of error component is structured into three parts, representing the correlation among routes, the transfer variance of route, and the unobserved variance respectively. Considering multidimensional integrals of the multivariate normal probability density function, the CMNP model is rewritten as Hierarchical Bayes formula and M-H sampling algorithm based Monte Carlo Markov Chain approach is constructed to estimate all parameters. Based on Guangzhou Metro data, reliable estimation results are gained. Furthermore, the proposed CMNP model also shows a good forecasting performance for the route choice probabilities calculation and a good application performance for transfer flow volume prediction. PMID:28591188

  1. Materials for the nuclear - Modelling and simulation of structure materials

    International Nuclear Information System (INIS)

    Berthoud, Georges; Ducros, Gerard; Feron, Damien; Guerin, Yannick; Latge, Christian; Limoge, Yves; Santarini, Gerard; Seiler, Jean-Marie; Vernaz, Etienne; Cappelaere, Chantal; Andrieux, Catherine; Athenes, Manuel; Baldinozzi, Guido; Bechade, Jean-Luc; Bonin, Bernard; Boutard, Jean-Louis; Brechet, Yves; Bruneval, Fabien; Carassou, Sebastien; Castelier, Etienne; Chartier, Alain; Clouet, Emmanuel; Marinica, Mihai-Cosmin; Crocombette, Jean-Paul; Dupuy, Laurent; Forget, Pierre; Fu, Chu Chun; Garnier, Jerome; Gelebart, Lionel; Henry, Jean; Jourdan, Thomas; Luneville, Laurence; Marini, Bernard; Meslin, Estelle; Nastar, Maylise; Onimus, Fabien; Poussard, Christophe; Proville, Laurent; Ribis, Joel; Robertson, Christian; Rodney, David; Roma, Guido; Sauzay, Maxime; Simeone, David; Soisson, Frederic; Tanguy, Benoit; Toffolon-Masclet, Caroline; Trocellier, Patrick; Van Brutzel, Laurent; Ventelon, Usa; Vincent, Ludovic; Willaime, Francois; Yvon, Pascal; Behar, Christophe; Provitina, Olivier; Lecomte, Michael; Forestier, Alain; Bender, Alexandra; Parisot, Jean-Francois; Finot, Pierre

    2016-01-01

    This collective publication proposes presentations of scientific approaches implemented to model and simulate the behaviour of materials submitted to irradiation, of associated experimental methods, and of some recent important results. After an introduction presenting the various materials used in different types of nuclear reactors (PWR, etc.), the effects of irradiation at the macroscopic or at the atomic scale, and the multi-scale (time and space) approach to the modelling of these materials, a chapter proposes an overview of modelling tools: multi-scale approach, electronic calculations for condensed matter, inter-atomic potentials, molecular dynamics simulation, thermodynamic and medium force potentials, phase diagrams, simulation of primary damages in reactor materials, kinetic models, dislocation dynamics, production of microstructures for simulation, crystalline visco-plasticity, homogenization methods in continuum mechanics, local approach and probabilistic approach in material fracture. The next part presents tools for experimental validation: tools for microscopic characterization or for mechanical characterization, experimental reactors and tests in atomic pile, tools for irradiation by charged particles. The next chapters presents different examples of thermodynamic and kinetic modelling in the case of various alloys (zirconium alloys, iron-chromium alloys, silicon carbide, austenitic alloys), of plasticity and failure modelling

  2. A Beddoes-Leishman type dynamic stall model in state-space and indicial formulations

    DEFF Research Database (Denmark)

    Hansen, M.H.; Gaunaa, Mac; Aagaard Madsen, Helge

    2004-01-01

    This report contains a description of a Beddoes-Leishman type dynamic stall model in both a state-space and an indicial function formulation. The model predicts the unsteady aerodynamic forces and moment on an airfoil section undergoing arbitrary motionin heave, lead-lag, and pitch. The model...... features, such as overshoot of the lift, in the stall region. The linearized model is shown to give identicalresults to the full model for small amplitude oscillations. Furthermore, it is shown that the response of finite thichkness airfoils can be reproduced to a high accuracy by the use of specific...... is carried out by comparing the response of the model with inviscid solutions and observing the general behavior of the model using known airfoil data as input. Theproposed dynamic model gives results identical to inviscid solutions within the attached-flow region; and it exhibits the expected dynamic...

  3. Constitutive model for porous materials

    International Nuclear Information System (INIS)

    Weston, A.M.; Lee, E.L.

    1982-01-01

    A simple pressure versus porosity compaction model is developed to calculate the response of granular porous bed materials to shock impact. The model provides a scheme for calculating compaction behavior when relatively limited material data are available. While the model was developed to study porous explosives and propellants, it has been applied to a much wider range of materials. The early development of porous material models, such as that of Hermann, required empirical dynamic compaction data. Erkman and Edwards successfully applied the early theory to unreacted porous high explosives using a Gruneisen equation of state without yield behavior and without trapped gas in the pores. Butcher included viscoelastic rate dependance in pore collapse. The theoretical treatment of Carroll and Holt is centered on the collapse of a circular pore and includes radial inertia terms and a complex set of stress, strain and strain rate constitutive parameters. Unfortunately data required for these parameters are generally not available. The model described here is also centered on the collapse of a circular pore, but utilizes a simpler elastic-plastic static equilibrium pore collapse mechanism without strain rate dependence, or radial inertia terms. It does include trapped gas inside the pore, a solid material flow stress that creates both a yield point and a variation in solid material pressure with radius. The solid is described by a Mie-Gruneisen type EOS. Comparisons show that this model will accurately estimate major mechanical features which have been observed in compaction experiments

  4. A nonlinear model predictive control formulation for obstacle avoidance in high-speed autonomous ground vehicles in unstructured environments

    Science.gov (United States)

    Liu, Jiechao; Jayakumar, Paramsothy; Stein, Jeffrey L.; Ersal, Tulga

    2018-06-01

    This paper presents a nonlinear model predictive control (MPC) formulation for obstacle avoidance in high-speed, large-size autono-mous ground vehicles (AGVs) with high centre of gravity (CoG) that operate in unstructured environments, such as military vehicles. The term 'unstructured' in this context denotes that there are no lanes or traffic rules to follow. Existing MPC formulations for passenger vehicles in structured environments do not readily apply to this context. Thus, a new nonlinear MPC formulation is developed to navigate an AGV from its initial position to a target position at high-speed safely. First, a new cost function formulation is used that aims to find the shortest path to the target position, since no reference trajectory exists in unstructured environments. Second, a region partitioning approach is used in conjunction with a multi-phase optimal control formulation to accommodate the complicated forms the obstacle-free region can assume due to the presence of multiple obstacles in the prediction horizon in an unstructured environment. Third, the no-wheel-lift-off condition, which is the major dynamical safety concern for high-speed, high-CoG AGVs, is ensured by limiting the steering angle within a range obtained offline using a 14 degrees-of-freedom vehicle dynamics model. Thus, a safe, high-speed navigation is enabled in an unstructured environment. Simulations of an AGV approaching multiple obstacles are provided to demonstrate the effectiveness of the algorithm.

  5. Basic research of developed the evaluation model of buffer material

    International Nuclear Information System (INIS)

    Kawamura, K.; Ichikawa, Y.; Suzuki, S.; Shibata, M.; Sato, H.; Ueno, K.

    2003-07-01

    For the better understanding of mass transport property of the buffer material of the high-level radioactive waste disposal, the unified method of molecular dynamics simulations (MD) and homogenization analysis (HA) method and model were developed. Interaction of atoms and multi-body potential model which needed in MD calculation was improved. Na-smectite surface and water molecule system were calculated by MD, the structure of water molecule, viscosity of water nearby the Na-smectite surface and distribution of diffusion coefficient of which were estimated. According to the results of the MD calculation, first water layer adjacent to Na-smectite surface was structured, and about 1nm thick diffuse layer was observed in which viscosity of water in higher than ordinary water. Structure modeling for Na-smectite including edge was also discussed. The HA analysis needs the results of the micro-scale properties from MD calculation and the microstructure of the field, i.e. microstructure of buffer material. Microstructure of compacted Na-smectite were studied by Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and X-ray diffraction (XRD). On the basis of the simplified observation results, the equation was formulated that the external pore size was expressed as a function of the number of clay layers and dry density. Using MD simulation results and pore structure model, diffusion coefficient of water molecule in compacted Na-smectite were calculated by the unified MD/HA analysis method. For this analysis Multi-scale HA method which can handle for porous media consists of various scale particles was developed. Calculated diffusion coefficient of water was in agreement with the results of diffusion experiment of triturated water (HTO). Regarding solute diffusion through compacted bentonite, experimental results are accumulated and discussed. Modelling frameworks for diffusion and sorption of ion were also developed. (author)

  6. Surfactant mediated slurry formulations for Ge CMP applications

    KAUST Repository

    Basim, G. Bahar

    2013-01-01

    In this study, slurry formulations in the presence of self-assembled surfactant structures were investigated for Ge/SiO2 CMP applications in the absence and presence of oxidizers. Both anionic (sodium dodecyl sulfate-SDS) and cationic (cetyl trimethyl ammonium bromide-C12TAB) micelles were used in the slurry formulations as a function of pH and oxidizer concentration. CMP performances of Ge and SiO2 wafers were evaluated in terms of material removal rates, selectivity and surface quality. The material removal rate responses were also assessed through AFM wear rate tests to obtain a faster response for preliminary analyses. The surfactant adsorption characteristics were studied through surface wettability responses of the Ge and SiO2 wafers through contact angle measurements. It was observed that the self-assembled surfactant structures can help obtain selectivity on the silica/germanium system at low concentrations of the oxidizer in the slurry. © 2013 Materials Research Society.

  7. Formulation of an ocean model for global climate simulations

    Directory of Open Access Journals (Sweden)

    S. M. Griffies

    2005-01-01

    Full Text Available This paper summarizes the formulation of the ocean component to the Geophysical Fluid Dynamics Laboratory's (GFDL climate model used for the 4th IPCC Assessment (AR4 of global climate change. In particular, it reviews the numerical schemes and physical parameterizations that make up an ocean climate model and how these schemes are pieced together for use in a state-of-the-art climate model. Features of the model described here include the following: (1 tripolar grid to resolve the Arctic Ocean without polar filtering, (2 partial bottom step representation of topography to better represent topographically influenced advective and wave processes, (3 more accurate equation of state, (4 three-dimensional flux limited tracer advection to reduce overshoots and undershoots, (5 incorporation of regional climatological variability in shortwave penetration, (6 neutral physics parameterization for representation of the pathways of tracer transport, (7 staggered time stepping for tracer conservation and numerical efficiency, (8 anisotropic horizontal viscosities for representation of equatorial currents, (9 parameterization of exchange with marginal seas, (10 incorporation of a free surface that accomodates a dynamic ice model and wave propagation, (11 transport of water across the ocean free surface to eliminate unphysical ``virtual tracer flux' methods, (12 parameterization of tidal mixing on continental shelves. We also present preliminary analyses of two particularly important sensitivities isolated during the development process, namely the details of how parameterized subgridscale eddies transport momentum and tracers.

  8. Hamiltonian formulation for the Martin-Taylor model

    International Nuclear Information System (INIS)

    Vasconcelos, D.B.; Viana, R.L.

    1993-01-01

    Locally stochastic layer and its optimization are studied. In order to accomplish this task, it is employed a Hamiltonian formulation of magnetic field line flow with a subsequent application of Escande-Doveil renormalization method which have been extensively used to obtain accurate estimates of stochasticity thresholds in systems exhibiting Hamiltonian chaos. (author)

  9. In vivo effects of traditional Ayurvedic formulations in Drosophila melanogaster model relate with therapeutic applications.

    Directory of Open Access Journals (Sweden)

    Vibha Dwivedi

    Full Text Available Ayurveda represents the traditional medicine system of India. Since mechanistic details of therapy in terms of current biology are not available in Ayurvedic literature, modern scientific studies are necessary to understand its major concepts and procedures. It is necessary to examine effects of the whole Ayurvedic formulations rather than their "active" components as is done in most current studies.We tested two different categories of formulations, a Rasayana (Amalaki Rasayana or AR, an herbal derivative and a Bhasma (Rasa-Sindoor or RS, an organo-metallic derivative of mercury, for effects on longevity, development, fecundity, stress-tolerance, and heterogeneous nuclear ribonucleoprotein (hnRNP levels of Drosophila melanogaster using at least 200 larvae or flies for each assay.A 0.5% (weight/volume supplement of AR or RS affected life-history and other physiological traits in distinct ways. While the size of salivary glands, hnRNP levels in larval tissues, and thermotolerance of larvae/adult flies improved significantly following feeding either of the two formulations, the median life span and starvation resistance improved only with AR. Feeding on AR or RS supplemented food improved fecundity differently. Feeding of larvae and adults with AR increased the fecundity while the same with RS had opposite effect. On the contrary, feeding larvae on normal food and adults on AR supplement had no effect on fecundity but a comparable regime of feeding on RS-supplemented food improved fecundity. RS feeding did not cause heavy metal toxicity.The present study with two Ayurvedic formulations reveals formulation-specific effects on several parameters of the fly's life, which seem to generally agree with their recommended human usages in Ayurvedic practices. Thus, Drosophila, with its very rich genetic tools and well-worked-out developmental pathways promises to be a very good model for examining the cellular and molecular bases of the effects of

  10. Comparative Plasma Exposure and Lung Distribution of Two Human Use Commercial Azithromycin Formulations Assessed in Murine Model: A Preclinical Study

    OpenAIRE

    Rivulgo, Virginia Margarita; Sparo, Mónica; Ceci, Mónica; Fumuso, Elida; Confalonieri, Alejandra; Delpech, Gastón; Sanchez Bruni, Sergio Fabian

    2016-01-01

    Azithromycin(AZM)therapeutic failure and relapses of patients treated with generic -35 formulations have been observed in clinical practice.The main goal of this research was 36 to compare in a pre-clinical study the serum exposure and lung tissue concentrationof 37 two commercial formulations AZM-based in murine model. The current study involved 38 264 healthy Balb-C.Mice were divided in two groups (n=44): Animals of Group A 39 (Reference Formulation ?R-) were orally treated with AZM suspens...

  11. New directions in the science and technology of advanced sheet explosive formulations and the key energetic materials used in the processing of sheet explosives: Emerging trends.

    Science.gov (United States)

    Talawar, M B; Jangid, S K; Nath, T; Sinha, R K; Asthana, S N

    2015-12-30

    This review presents the work carried out by the international community in the area of sheet explosive formulations and its applications in various systems. The sheet explosive is also named as PBXs and is a composite material in which solid explosive particles like RDX, HMX or PETN are dispersed in a polymeric matrix, forms a flexible material that can be rolled/cut into sheet form which can be applied to any complex contour. The designed sheet explosive must possess characteristic properties such as flexible, cuttable, water proof, easily initiable, and safe handling. The sheet explosives are being used for protecting tanks (ERA), light combat vehicle and futuristic infantry carrier vehicle from different attacking war heads etc. Besides, sheet explosives find wide applications in demolition of bridges, ships, cutting and metal cladding. This review also covers the aspects such as risks and hazard analysis during the processing of sheet explosive formulations, effect of ageing on sheet explosives, detection and analysis of sheet explosive ingredients and the R&D efforts of Indian researchers in the development of sheet explosive formulations. To the best of our knowledge, there has been no review article published in the literature in the area of sheet explosives. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Multifunctional materials and modeling

    CERN Document Server

    Korepanov, M A; Zaikov, Gennady E; Haghi, A K

    2015-01-01

    This important book presents a valuable collection of new research and new trends in nanomaterials, mesoscopy, quantum chemistry, and chemical physics processes. It highlights the development of nanomaterials as well as investigation of combustion and explosion processes. It highlights new trends in processes and methods of the treatment of polymeric materials and also covers material modification, including super small quantities of metal/carbon nanocomposites as well as new information on the modeling of processes and quantum calculations. Nonlinear kinetic appearances and their applications are highlighted as well. The chapters are divided into three major sections: computational modeling, surface and interface investigations, and nanochemistry, nanomaterials, and nanostructured materials.

  13. A BRDF statistical model applying to space target materials modeling

    Science.gov (United States)

    Liu, Chenghao; Li, Zhi; Xu, Can; Tian, Qichen

    2017-10-01

    In order to solve the problem of poor effect in modeling the large density BRDF measured data with five-parameter semi-empirical model, a refined statistical model of BRDF which is suitable for multi-class space target material modeling were proposed. The refined model improved the Torrance-Sparrow model while having the modeling advantages of five-parameter model. Compared with the existing empirical model, the model contains six simple parameters, which can approximate the roughness distribution of the material surface, can approximate the intensity of the Fresnel reflectance phenomenon and the attenuation of the reflected light's brightness with the azimuth angle changes. The model is able to achieve parameter inversion quickly with no extra loss of accuracy. The genetic algorithm was used to invert the parameters of 11 different samples in the space target commonly used materials, and the fitting errors of all materials were below 6%, which were much lower than those of five-parameter model. The effect of the refined model is verified by comparing the fitting results of the three samples at different incident zenith angles in 0° azimuth angle. Finally, the three-dimensional modeling visualizations of these samples in the upper hemisphere space was given, in which the strength of the optical scattering of different materials could be clearly shown. It proved the good describing ability of the refined model at the material characterization as well.

  14. Atomistic modeling of nanowires, small-scale fatigue damage in cast magnesium, and materials for MEMS

    Energy Technology Data Exchange (ETDEWEB)

    Dunn, Martin L. [Univ. of Colorado, Boulder, CO (United States); Talmage, Mellisa J. [Univ. of Colorado, Boulder, CO (United States); McDowell, David L. [Georgia Inst. of Technology, Atlanta, GA (United States); West, Neil [Univ. of Colorado, Boulder, CO (United States); Gullett, Philip Michael [Mississippi State Univ., Mississippi State, MS (United States); Miller, David C. [Univ. of Colorado, Boulder, CO (United States); Spark, Kevin [Univ. of Colorado, Boulder, CO (United States); Diao, Jiankuai [Univ. of Colorado, Boulder, CO (United States); Horstemeyer, Mark F. [Mississippi State Univ., Mississippi State, MS (United States); Zimmerman, Jonathan A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gall, K. [Georgia Inst. of Technology, Atlanta, GA (United States)

    2006-10-01

    Lightweight and miniaturized weapon systems are driving the use of new materials in design such as microscale materials and ultra low-density metallic materials. Reliable design of future weapon components and systems demands a thorough understanding of the deformation modes in these materials that comprise the components and a robust methodology to predict their performance during service or storage. Traditional continuum models of material deformation and failure are not easily extended to these new materials unless microstructural characteristics are included in the formulation. For example, in LIGA Ni and Al-Si thin films, the physical size is on the order of microns, a scale approaching key microstructural features. For a new potential structural material, cast Mg offers a high stiffness-to-weight ratio, but the microstructural heterogeneity at various scales requires a structure-property continuum model. Processes occurring at the nanoscale and microscale develop certain structures that drive material behavior. The objective of the work presented in this report was to understand material characteristics in relation to mechanical properties at the nanoscale and microscale in these promising new material systems. Research was conducted primarily at the University of Colorado at Boulder to employ tightly coupled experimentation and simulation to study damage at various material size scales under monotonic and cyclic loading conditions. Experimental characterization of nano/micro damage will be accomplished by novel techniques such as in-situ environmental scanning electron microscopy (ESEM), 1 MeV transmission electron microscopy (TEM), and atomic force microscopy (AFM). New simulations to support experimental efforts will include modified embedded atom method (MEAM) atomistic simulations at the nanoscale and single crystal micromechanical finite element simulations. This report summarizes the major research and development accomplishments for the LDRD project

  15. Development and Evaluation of Topical Gabapentin Formulations

    Science.gov (United States)

    Alcock, Natalie; Hiom, Sarah; Birchall, James C.

    2017-01-01

    Topical delivery of gabapentin is desirable to treat peripheral neuropathic pain conditions whilst avoiding systemic side effects. To date, reports of topical gabapentin delivery in vitro have been variable and dependent on the skin model employed, primarily involving rodent and porcine models. In this study a variety of topical gabapentin formulations were investigated, including Carbopol® hydrogels containing various permeation enhancers, and a range of proprietary bases including a compounded Lipoderm® formulation; furthermore microneedle facilitated delivery was used as a positive control. Critically, permeation of gabapentin across a human epidermal membrane in vitro was assessed using Franz-type diffusion cells. Subsequently this data was contextualised within the wider scope of the literature. Although reports of topical gabapentin delivery have been shown to vary, largely dependent upon the skin model used, this study demonstrated that 6% (w/w) gabapentin 0.75% (w/w) Carbopol® hydrogels containing 5% (w/w) DMSO or 70% (w/w) ethanol and a compounded 10% (w/w) gabapentin Lipoderm® formulation were able to facilitate permeation of the molecule across human skin. Further pre-clinical and clinical studies are required to investigate the topical delivery performance and pharmacodynamic actions of prospective formulations. PMID:28867811

  16. Quasi-Eulerian formulation for fluid-structure interaction

    International Nuclear Information System (INIS)

    Kennedy, J.M.; Belytschko, T.B.

    1979-01-01

    In this paper, recent developments of a quasi-Eulerian finite element formulation for the treatment of the fluid in fluid-structure interaction problems are described. The present formulation is applicable both to plane two-dimensional and axisymmetric three-dimensional problems. In order to reduce the noise associated with the convection terms, an amplification factor is used to implement an up-winding type scheme. The application of the method is illustrated in two problems which are of importance in nuclear reactor safety: 1. A two-dimensional model of a cross section of a subassembly configuration, where the quasi-Eulerian formulation is used to model the fluid adjacent to the structures and in the channel between the subassemblies. 2. Pressure transients in a straight pipe, where the axisymmetric formulation is used to model the fluid in the pipe. These results are compared to experimental results for these problems and compare quite well. The major problem in the application of these methods appears to be the automation of the scheme for moving the fluid nodes. Several alternative schemes are used in the problems described here, and a more general scheme which appears to offer a reasonable (orig.)

  17. Formulation and kinetic modeling of curcumin loaded intranasal mucoadhesive microemulsion

    Directory of Open Access Journals (Sweden)

    B Mikesh Patel

    2012-01-01

    Full Text Available It is a challenge to develop the optimum dosage form of poorly water-soluble drugs and to target them due to limited bioavailability, intra and inter subject variability. In this investigation, mucoadhesive microemulsion of curcumin was developed by water titration method taking biocompatible components for intranasal delivery and was characterized. Nasal ciliotoxicity studies were carried out using excised sheep nasal mucosa. in vitro release studies of formulations and PDS were performed. Labrafil M 1944 CS based microemulsion was transparent, stable and nasal non-ciliotoxic having particle size 12.32±0.81nm (PdI=0.223 and from kinetic modeling, the release was found to be Fickian diffusion for mucoadhesive microemulsion.

  18. Obesity and internalized weight stigma: a formulation model for an emerging psychological problem.

    Science.gov (United States)

    Ratcliffe, Denise; Ellison, Nell

    2015-03-01

    Obese individuals frequently experience weight stigma and this is associated with psychological distress and difficulties. The process of external devaluation can lead to negative self-perception and evaluation and some obese individuals develop "internalized weight stigma". The prevalence of weight stigma is well established but there is a lack of information about the interplay between external and internal weight stigma. To synthesize the literature on the psychological effects of weight stigma into a formulation model that addresses the maintenance of internalized weight stigma. Current research on the psychological impact of weight stigma was reviewed. We identify cognitive, behavioural and attentional processes that maintain psychological conditions where self-evaluation plays a central role. A model was developed based on clinical utility. The model focuses on identifying factors that influence and maintain internalized weight stigma. We highlight the impact of negative societal and interpersonal experiences of weight stigma on how individuals view themselves as an obese person. Processing the self as a stigmatized individual is at the core of the model. Maintenance factors include negative self-judgements about the meaning of being an obese individual, attentional and mood shifts, and avoidance and safety behaviours. In addition, eating and weight management behaviours become deregulated and maintain both obesity and weight stigma. As obesity increases, weight stigma and the associated psychological effects are likely to increase. We provide a framework for formulating and intervening with internalized weight stigma as well as making therapists aware of the applicability and transferability of strategies that they may already use with other presenting problems.

  19. Physical, thermal and mechanical study of MPC formulated with LG-MgO incorporating Phase Change Materials as admixture

    Science.gov (United States)

    Maldonado-Alameda, A.; Lacasta, A. M.; Giro-Paloma, J.; Chimenos, J. M.; Formosa, J.

    2017-10-01

    The high environmental impact generated by using of Ordinary Portland Cement (OPC) has lead to the search for alternative materials in the field of civil and building engineering. In addition, there is a tendency to develop cements from industrial by-products, thus reducing pollution and emissions generated by their production. One of the best positioned cements to compete with OPC is Magnesium Phosphate Cement (MPC). The present work studies different dosages of MPC mortars formulated with low-grade MgO by-product (sustainable MPC) incorporating Microencapsulated Phase Change Materials (MPCM) and air entraining additive (AEA) as admixtures (Thermal Sustainable MPC) to improve the thermal behaviour of the material. The aim is developed a new eco-friendly material that leads to reducing energy consumption in buildings. The study is focused on the physical, thermal, and mechanical characterization of TS-MPC mortars to assess their potential use as a thermal prefabricated panel. The results allow to relate the amount of the MPCM and the additive percentage with the thermal and mechanical properties of the TS- MPC. Furthermore, is important to highlight the influence of MPCM not only in the thermal behaviour but also on the increase of the porosity. The experimental results show that the addition of both additives contributes substantially to the improvement of the thermal behaviour of the mortars and converts them on a suitable material to reduce thermal oscillations in buildings.

  20. A modified Gurson-type plasticity model at finite strains: formulation, numerical analysis and phase-field coupling

    Science.gov (United States)

    Aldakheel, Fadi; Wriggers, Peter; Miehe, Christian

    2017-12-01

    The modeling of failure in ductile materials must account for complex phenomena at the micro-scale, such as nucleation, growth and coalescence of micro-voids, as well as the final rupture at the macro-scale, as rooted in the work of Gurson (J Eng Mater Technol 99:2-15, 1977). Within a top-down viewpoint, this can be achieved by the combination of a micro-structure-informed elastic-plastic model for a porous medium with a concept for the modeling of macroscopic crack discontinuities. The modeling of macroscopic cracks can be achieved in a convenient way by recently developed continuum phase field approaches to fracture, which are based on the regularization of sharp crack discontinuities, see Miehe et al. (Comput Methods Appl Mech Eng 294:486-522, 2015). This avoids the use of complex discretization methods for crack discontinuities, and can account for complex crack patterns. In this work, we develop a new theoretical and computational framework for the phase field modeling of ductile fracture in conventional elastic-plastic solids under finite strain deformation. It combines modified structures of Gurson-Tvergaard-Needelman GTN-type plasticity model outlined in Tvergaard and Needleman (Acta Metall 32:157-169, 1984) and Nahshon and Hutchinson (Eur J Mech A Solids 27:1-17, 2008) with a new evolution equation for the crack phase field. An important aspect of this work is the development of a robust Explicit-Implicit numerical integration scheme for the highly nonlinear rate equations of the enhanced GTN model, resulting with a low computational cost strategy. The performance of the formulation is underlined by means of some representative examples, including the development of the experimentally observed cup-cone failure mechanism.

  1. Macroscopic properties of model disordered materials

    International Nuclear Information System (INIS)

    Knackstedt, M.A.; Roberts, A.P.

    1996-01-01

    Disordered materials are ubiquitous in nature and in industry. Soils, sedimentary rocks, wood, bone, polymer composites, foams, catalysts, gels, concretes and ceramics have properties that depend on material structure. Present techniques for predicting properties are limited by the theoretical and computational difficulty of incorporating a realistic description of material structure. A general model for microstructure was recently proposed by Berk [Berk, Phys.Rev.A, 44 5069 (1991)]. The model is based on level cuts of a Gaussian random field with arbitrary spectral density. The freedom in specifying the parameters of the model allows the modeling of physical materials with diverse morphological characteristics. We have shown that the model qualitatively accounts for the principal features of a wider variety of disordered materials including geologic media, membranes, polymer blends, ceramics and foams. Correlation functions are derived for the model microstructure. From this characterisation we derive mechanical and conductive properties of the materials. Excellent agreement with experimentally measured properties of disordered solids is obtained. The agreement provides a strong hint that it is now possible to correlate effective physical properties of porous solids to microstructure. Simple extensions to modelling properties of non-porous multicomponent blends; metal alloys, ceramics, metal/matrix and polymer composites are also discussed

  2. A Model for the Operation of Perovskite Based Hybrid Solar Cells: Formulation, Analysis, and Comparison to Experiment

    KAUST Repository

    Foster, J. M.

    2014-01-01

    This work is concerned with the modeling of perovskite based hybrid solar cells formed by sandwiching a slab of organic lead halide perovskite (CH3NH3PbI3-xClx) photo-absorber between (n-type) acceptor and (p-type) donor materialstypically titanium dioxide and spiro. A model for the electrical behavior of these cells is formulated based on drift-diffusion equations for the motion of the charge carriers and Poisson\\'s equation for the electric potential. It is closed by (i) internal interface conditions accounting for charge recombination/generation and jumps in charge carrier densities arising from differences in the electron affinity/ionization potential between the materials and (ii) ohmic boundary conditions on the contacts. The model is analyzed by using a combination of asymptotic and numerical techniques. This leads to an approximateyet highly accurateexpression for the current-voltage relationship as a function of the solar induced photocurrent. In addition, we show that this approximate current-voltage relation can be interpreted as an equivalent circuit model consisting of three diodes, a resistor, and a current source. For sufficiently small biases the device\\'s behavior is diodic and the current is limited by the recombination at the internal interfaces, whereas for sufficiently large biases the device acts like a resistor and the current is dictated by the ohmic dissipation in the acceptor and donor. The results of the model are also compared to experimental current-voltage curves, and good agreement is shown.

  3. A Model for the Operation of Perovskite Based Hybrid Solar Cells: Formulation, Analysis, and Comparison to Experiment

    KAUST Repository

    Foster, J. M.; Snaith, H. J.; Leijtens, T.; Richardson, G.

    2014-01-01

    This work is concerned with the modeling of perovskite based hybrid solar cells formed by sandwiching a slab of organic lead halide perovskite (CH3NH3PbI3-xClx) photo-absorber between (n-type) acceptor and (p-type) donor materialstypically titanium dioxide and spiro. A model for the electrical behavior of these cells is formulated based on drift-diffusion equations for the motion of the charge carriers and Poisson's equation for the electric potential. It is closed by (i) internal interface conditions accounting for charge recombination/generation and jumps in charge carrier densities arising from differences in the electron affinity/ionization potential between the materials and (ii) ohmic boundary conditions on the contacts. The model is analyzed by using a combination of asymptotic and numerical techniques. This leads to an approximateyet highly accurateexpression for the current-voltage relationship as a function of the solar induced photocurrent. In addition, we show that this approximate current-voltage relation can be interpreted as an equivalent circuit model consisting of three diodes, a resistor, and a current source. For sufficiently small biases the device's behavior is diodic and the current is limited by the recombination at the internal interfaces, whereas for sufficiently large biases the device acts like a resistor and the current is dictated by the ohmic dissipation in the acceptor and donor. The results of the model are also compared to experimental current-voltage curves, and good agreement is shown.

  4. Chemical-Based Formulation Design: Virtual Experimentation

    DEFF Research Database (Denmark)

    Conte, Elisa; Gani, Rafiqul

    This paper presents a software, the virtual Product-Process Design laboratory (virtual PPD-lab) and the virtual experimental scenarios for design/verification of consumer oriented liquid formulated products where the software can be used. For example, the software can be employed for the design......, the additives and/or their mixtures (formulations). Therefore, the experimental resources can focus on a few candidate product formulations to find the best product. The virtual PPD-lab allows various options for experimentations related to design and/or verification of the product. For example, the selection...... design, model adaptation). All of the above helps to perform virtual experiments by blending chemicals together and observing their predicted behaviour. The paper will highlight the application of the virtual PPD-lab in the design and/or verification of different consumer products (paint formulation...

  5. Pile group program for full material modeling and progressive failure.

    Science.gov (United States)

    2008-12-01

    Strain wedge (SW) model formulation has been used, in previous work, to evaluate the response of a single pile or a group of piles (including its : pile cap) in layered soils to lateral loading. The SW model approach provides appropriate prediction f...

  6. A thermodynamically consistent model of magneto-elastic materials under diffusion at large strains and its analysis

    Science.gov (United States)

    Roubíček, Tomáš; Tomassetti, Giuseppe

    2018-06-01

    A theory of elastic magnets is formulated under possible diffusion and heat flow governed by Fick's and Fourier's laws in the deformed (Eulerian) configuration, respectively. The concepts of nonlocal nonsimple materials and viscous Cahn-Hilliard equations are used. The formulation of the problem uses Lagrangian (reference) configuration while the transport processes are pulled back. Except the static problem, the demagnetizing energy is ignored and only local non-self-penetration is considered. The analysis as far as existence of weak solutions of the (thermo) dynamical problem is performed by a careful regularization and approximation by a Galerkin method, suggesting also a numerical strategy. Either ignoring or combining particular aspects, the model has numerous applications as ferro-to-paramagnetic transformation in elastic ferromagnets, diffusion of solvents in polymers possibly accompanied by magnetic effects (magnetic gels), or metal-hydride phase transformation in some intermetallics under diffusion of hydrogen accompanied possibly by magnetic effects (and in particular ferro-to-antiferromagnetic phase transformation), all in the full thermodynamical context under large strains.

  7. Decontamination formulation with additive for enhanced mold remediation

    Science.gov (United States)

    Tucker, Mark D [Albuquerque, NM; Irvine, Kevin [Huntsville, AL; Berger, Paul [Rome, NY; Comstock, Robert [Bel Air, MD

    2010-02-16

    Decontamination formulations with an additive for enhancing mold remediation. The formulations include a solubilizing agent (e.g., a cationic surfactant), a reactive compound (e.g., hydrogen peroxide), a carbonate or bicarbonate salt, a water-soluble bleaching activator (e.g., propylene glycol diacetate or glycerol diacetate), a mold remediation enhancer containing Fe or Mn, and water. The concentration of Fe.sup.2+ or Mn.sup.2+ ions in the aqueous mixture is in the range of about 0.0001% to about 0.001%. The enhanced formulations can be delivered, for example, as a foam, spray, liquid, fog, mist, or aerosol for neutralization of chemical compounds, and for killing certain biological compounds or agents and mold spores, on contaminated surfaces and materials.

  8. Generic Mathematical Programming Formulation and Solution for Computer-Aided Molecular Design

    DEFF Research Database (Denmark)

    Zhang, Lei; Cignitti, Stefano; Gani, Rafiqul

    2015-01-01

    This short communication presents a generic mathematical programming formulation for Computer-Aided Molecular Design (CAMD). A given CAMD problem, based on target properties, is formulated as a Mixed Integer Linear/Non-Linear Program (MILP/MINLP). The mathematical programming model presented here......, which is formulated as an MILP/MINLP problem, considers first-order and second-order molecular groups for molecular structure representation and property estimation. It is shown that various CAMD problems can be formulated and solved through this model....

  9. Property Model-Based Chemcal Substitution and Chemical Formulation Design

    DEFF Research Database (Denmark)

    Jhamb, Spardha Virendra; Liang, Xiaodong; Hukkerikar, Amol Shivajirao

    Chemical-based products including structured product formulations and single molecule products have proven to be a boon to mankind and have been a significant part of our economies. Our life and the changes around us cannot be imagined without the presence or involvement of chemicals. But like...... with environmentally benign chemicals. Additionally, the decisions taken during chemical product design also have an impact on the process and product performance and are influenced by company strategy, availability of market and government policies [2]. Hence, undoubtedly there is a need to develop a systematic...... [3] will also be highlighted. A set of new group contribution-based models for a number of useful properties of amino acids will be presented. Through examples on substitution of chemicals from chemical-based products from various sectors namely cosmetics and personal care, pharmaceutical and food...

  10. A Systematic Approach to Strategy Formulation for Medium-Sized Shipyards

    OpenAIRE

    Ma'ruf, Buana

    2007-01-01

    A more comprehensive strategy formulation has an important role for sustainable competitive advantage of the shipbuilding companies in the global market. The nature of shipbuilding industry differs from general industry, therefore a strategy formulation model should be developed based on its own characteristics and business environment. This paper presents a proposed strategy formulation model for medium-sized shipyards both in business and corporate levels. A new approach was developed based...

  11. Anticancer Potential of Nutraceutical Formulations in MNU-induced Mammary Cancer in Sprague Dawley Rats

    OpenAIRE

    Pitchaiah, Gummalla; Akula, Annapurna; Chandi, Vishala

    2017-01-01

    Background: Nutraceuticals help in combating some of the major health problems of the century including cancer, and ?nutraceutical formulations? have led to the new era of medicine and health. Objective: To develop different nutraceutical formulations and to assess the anticancer potential of nutraceutical formulations in N-methyl-N-nitrosourea (MNU)-induced mammary cancer in Sprague Dawley rats. Materials and Methods: Different nutraceutical formulations were prepared using fine powders of a...

  12. Suitability of different formulated carriers for sustaining microbial shelf life

    International Nuclear Information System (INIS)

    Tabassam, T.; Ali, A.

    2014-01-01

    Non-availability of a suitable carrier for bioinnoculant is a serious constraint for dissemination of biofertilizer technology in Pakistan. Present study was designed to formulate a suitable carrier from locally available cheap material and evaluate for shelf life by using locally isolated plant growth promoting rhizobacteria (PGPR) strains from maize rhizosphere. Different combinations of material were prepared using clay soil (35-50%), fly-ash (30-45%), press mud (5-15%) and lignite (5-15%). Clay soil (53% clay) was used for adhesion purpose but considering free of lump formation an important property of a good carrier, mixing 40% of soil with other material was found suitable. Using 40% of soil, six different treatments were formulated and physico-chemical characteristics were determined. Four combinations in the range of 40% clay, 30-40% fly-ash, 10-15% press mud and 10-15% lignitic coal were selected which had good adhesion capacity, moisture holding capacity, nutrient contents and investigated for microbial shelf life. Significant difference regarding microbial survival was observed between different formulations as well as between different incubation intervals. Among different carrier tested the FC-4 supported the maximum population of 33.5x10- 10.8x10 cfu g for MR-8 and 32.6x10 - 7.2x10 cfu g for MR-5. Results showed that the required population of PGPR was sustained in all the formulation tested up to six months of storage period. (author)

  13. A viscoplastic strain gradient analysis of materials with voids or inclusions

    DEFF Research Database (Denmark)

    Borg, Ulrik; Niordson, Christian Frithiof; Fleck, N. A.

    2006-01-01

    -2454] of the strain gradient plasticity theory proposed by Fleck and Hutchinson (2001) [Journal of the Mechanics and Physics of Solids 49, 2245-2271]. The formulation is based on a viscoplastic potential that enables the formulation of the model so that it reduces to the strain gradient plasticity theory...... in the absence of viscous effects. The numerical implementation uses increments of the effective plastic strain rate as degrees of freedom in addition to increments of displacement. To illustrate predictions of the model, results are presented for materials containing either voids or rigid inclusions......A finite strain viscoplastic nonlocal plasticity model is formulated and implemented numerically within a finite element framework. The model is a viscoplastic generalisation of the finite strain generalisation by Niordson and Redanz (2004) [Journal of the Mechanics and Physics of Solids 52, 2431...

  14. Development and validation of an in vitro–in vivo correlation (IVIVC model for propranolol hydrochloride extended-release matrix formulations

    Directory of Open Access Journals (Sweden)

    Chinhwa Cheng

    2014-06-01

    Full Text Available The objective of this study was to develop an in vitro–in vivo correlation (IVIVC model for hydrophilic matrix extended-release (ER propranolol dosage formulations. The in vitro release characteristics of the drug were determined using USP apparatus I at 100 rpm, in a medium of varying pH (from pH 1.2 to pH 6.8. In vivo plasma concentrations and pharmacokinetic parameters in male beagle dogs were obtained after administering oral, ER formulations and immediate-release (IR commercial products. The similarity factor f2 was used to compare the dissolution data. The IVIVC model was developed using pooled fraction dissolved and fraction absorbed of propranolol ER formulations, ER-F and ER-S, with different release rates. An additional formulation ER-V, with a different release rate of propranolol, was prepared for evaluating the external predictability. The results showed that the percentage prediction error (%PE values of Cmax and AUC0–∞ were 0.86% and 5.95%, respectively, for the external validation study. The observed low prediction errors for Cmax and AUC0–∞ demonstrated that the propranolol IVIVC model was valid.

  15. Controlled Release Formulation of Indomethacin Prepared With Bee ...

    African Journals Online (AJOL)

    Erah

    2010-12-27

    Dec 27, 2010 ... Results: The results show that, although the release rate of formulations F1 - F7 did not show any ... Keywords: Propolis (bee glue), Indomethacin, Controlled release, Zero order kinetics, Waxy materials ... focus of interest.

  16. Random-effects linear modeling and sample size tables for two special crossover designs of average bioequivalence studies: the four-period, two-sequence, two-formulation and six-period, three-sequence, three-formulation designs.

    Science.gov (United States)

    Diaz, Francisco J; Berg, Michel J; Krebill, Ron; Welty, Timothy; Gidal, Barry E; Alloway, Rita; Privitera, Michael

    2013-12-01

    Due to concern and debate in the epilepsy medical community and to the current interest of the US Food and Drug Administration (FDA) in revising approaches to the approval of generic drugs, the FDA is currently supporting ongoing bioequivalence studies of antiepileptic drugs, the EQUIGEN studies. During the design of these crossover studies, the researchers could not find commercial or non-commercial statistical software that quickly allowed computation of sample sizes for their designs, particularly software implementing the FDA requirement of using random-effects linear models for the analyses of bioequivalence studies. This article presents tables for sample-size evaluations of average bioequivalence studies based on the two crossover designs used in the EQUIGEN studies: the four-period, two-sequence, two-formulation design, and the six-period, three-sequence, three-formulation design. Sample-size computations assume that random-effects linear models are used in bioequivalence analyses with crossover designs. Random-effects linear models have been traditionally viewed by many pharmacologists and clinical researchers as just mathematical devices to analyze repeated-measures data. In contrast, a modern view of these models attributes an important mathematical role in theoretical formulations in personalized medicine to them, because these models not only have parameters that represent average patients, but also have parameters that represent individual patients. Moreover, the notation and language of random-effects linear models have evolved over the years. Thus, another goal of this article is to provide a presentation of the statistical modeling of data from bioequivalence studies that highlights the modern view of these models, with special emphasis on power analyses and sample-size computations.

  17. Refreshing Rubbers as Customized Photothermal Conversion Materials through Post-Darkening Modeling Production.

    Science.gov (United States)

    Li, Ruiting; Wang, Zhen; Han, Peng; He, Yonglin; Zhang, Xiaohong; Wang, Yapei

    2017-12-19

    Organic conjugated polymers with low energy bandgaps are emerging as a particular class of near-infrared (NIR) photothermal conversion materials. However, these polymers routinely possess high phase transition temperatures due to the rigid skeleton and strong intermolecular interactions. Conjugated polymers can rarely be thermally processed at low temperature, especially below 100 °C. This work formulates a concept of post-darkening modeling production (p-DMP) by which the thermoplastic non-conjugated trans-polyisoprene (TPI) is refreshed into a photothermal conversion material with high light use efficiency. Two steps, including the customizable shaping at low temperature and iodine vapor-tailored "darkening", ensure the ease of preparing photothermal conversion devices with desirable topologies. A few characterizations, with the combination of density functional theory (DFT) calculations, provide reasonable explanations for understanding the "darkening" process of TPI in iodine atmosphere. In particular, the p-DMP is successfully extended to three-dimension (3D) printing, opening an avenue to fabricate personalized photothermal products, for example, a sunlight-directed physiotherapy device for healthcare of articular tissues. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Study on biphasic material model and mechanical analysis of knee joint cartilage

    Energy Technology Data Exchange (ETDEWEB)

    Nakatani, A; Sakashita, A [Department of Adaptive Machine Systems, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)], E-mail: nakatani@ams.eng.osaka-u.ac.jp

    2008-02-15

    A material model of articular cartilage is formulated, and fundamental problems are analyzed. The soft tissue is assumed to comprise two phases: solid and fluid. The biphasic theory proposed by Spilker and Suh (1990) to deal with such materials is reviewed, and some new additional analyses are carried out on the basis of this theory. Assuming the elasticity for the solid phase and introducing the pressure, which is defined by the product of the volume change and penalty coefficient, it is shown that the viscoelastic property of the soft tissue can be reproduced. A preferable solution is obtained for the solid phase by using the reduction integral, even if a high-order interpolation function is used. However, the high-order element cannot satisfactorily capture the velocity distribution of fluids. The pressure distribution is studied by assuming the change in the surface characteristics of the cartilage tissue with the progress of osteoarthritis. The pressure is strongly related to the lubrication conditions, i.e., perfect lubrication, perfect adhesion, and partial adhesion.

  19. Multiscale modeling of materials. Materials Research Society symposium proceedings: Volume 538

    International Nuclear Information System (INIS)

    Bulatov, V.V.; Diaz de la Rubia, T.; Phillips, R.; Kaxiras, E.; Ghoniem, N.

    1999-01-01

    The symposium, Multiscale Modeling of Materials, was held at the 1998 MRS Fall Meeting in Boston, Massachusetts, November 30 to December 3. Though multiple scale models are not new the topic has recently taken on a new sense of urgency. This is in large part due to the recognition that brute force computational approaches often fall short of allowing for direct simulation of both the characteristic structures and temporal processes found in real materials. As a result, a number of hybrid approaches are now finding favor in which ideas borrowed from distinct disciplines or modeling paradigms are unified to produce more powerful techniques. Topics included are modeling dislocation properties and behavior, defect dynamics and microstructural evolution, crystal defects and interfaces, novel methods for materials modeling, and non-crystalline and nanocrystalline materials. Eighty papers have been processed separately for inclusion on the data base

  20. Evaluation method for the drying performance of enzyme containing formulations

    DEFF Research Database (Denmark)

    Sloth, Jakob; Bach, P.; Jensen, Anker Degn

    2008-01-01

    A method is presented for fast and cheap evaluation of the performance of enzyme containing formulations in terms of preserving the highest enzyme activity during spray drying. The method is based on modeling the kinetics of the thermal inactivation reaction which occurs during the drying process....... Relevant kinetic parameters are determined from differential scanning calorimeter (DSC) experiments and the model is used to simulate the severity of the inactivation reaction for temperatures and moisture levels relevant for spray drying. After conducting experiments and subsequent simulations...... for a number of different formulations it may be deduced which formulation performs best. This is illustrated by a formulation design study where 4 different enzyme containing formulations are evaluated. The method is validated by comparison to pilot scale spray dryer experiments....

  1. Formulation and Application of a Stochastic Fatigue Damage Accumulation Model for the Response of Buckled Composite Panels

    National Research Council Canada - National Science Library

    Chen, P

    2000-01-01

    ...., excursions from one buckled state to the other. First, a large displacements small strains structural dynamic formulation is developed that accounts for the given temperature effects and relies on a higher-order shear modeling...

  2. Development and Evaluation of Topical Gabapentin Formulations

    Directory of Open Access Journals (Sweden)

    Christopher J. Martin

    2017-08-01

    Full Text Available Topical delivery of gabapentin is desirable to treat peripheral neuropathic pain conditions whilst avoiding systemic side effects. To date, reports of topical gabapentin delivery in vitro have been variable and dependent on the skin model employed, primarily involving rodent and porcine models. In this study a variety of topical gabapentin formulations were investigated, including Carbopol® hydrogels containing various permeation enhancers, and a range of proprietary bases including a compounded Lipoderm® formulation; furthermore microneedle facilitated delivery was used as a positive control. Critically, permeation of gabapentin across a human epidermal membrane in vitro was assessed using Franz-type diffusion cells. Subsequently this data was contextualised within the wider scope of the literature. Although reports of topical gabapentin delivery have been shown to vary, largely dependent upon the skin model used, this study demonstrated that 6% (w/w gabapentin 0.75% (w/w Carbopol® hydrogels containing 5% (w/w DMSO or 70% (w/w ethanol and a compounded 10% (w/w gabapentin Lipoderm® formulation were able to facilitate permeation of the molecule across human skin. Further pre-clinical and clinical studies are required to investigate the topical delivery performance and pharmacodynamic actions of prospective formulations.

  3. Computational Models of the Gastrointestinal Environment. 2. Phase Behavior and Drug Solubilization Capacity of a Type I Lipid-Based Drug Formulation after Digestion.

    Science.gov (United States)

    Birru, Woldeamanuel A; Warren, Dallas B; Han, Sifei; Benameur, Hassan; Porter, Christopher J H; Pouton, Colin W; Chalmers, David K

    2017-03-06

    Lipid-based drug formulations can greatly enhance the bioavailability of poorly water-soluble drugs. Following the oral administration of formulations containing tri- or diglycerides, the digestive processes occurring within the gastrointestinal (GI) tract hydrolyze the glycerides to mixtures of free fatty acids and monoglycerides that are, in turn, solubilized by bile. The behavior of drugs within the resulting colloidal mixtures is currently not well characterized. This work presents matched in vitro experimental and molecular dynamics (MD) theoretical models of the GI microenvironment containing a digested triglyceride-based (Type I) drug formulation. Both the experimental and theoretical models consist of molecular species representing bile (glycodeoxycholic acid), digested triglyceride (1:2 glyceryl-1-monooleate and oleic acid), and water. We have characterized the phase behavior of the physical system using nephelometry, dynamic light scattering, and polarizing light microscopy and compared these measurements to phase behavior observed in multiple MD simulations. Using this model microenvironment, we have investigated the dissolution of the poorly water-soluble drug danazol experimentally using LC-MS and theoretically by MD simulation. The results show how the formulation lipids alter the environment of the GI tract and improve the solubility of danazol. The MD simulations successfully reproduce the experimental results showing the utility of MD in modeling the fate of drugs after digestion of lipid-based formulations within the intestinal lumen.

  4. Monitoring moisture movements in building materials using x-ray attenuation

    DEFF Research Database (Denmark)

    Pease, Bradley Justin; Scheffler, Gregor A.; Janssen, Hans

    2012-01-01

    analysis with a composite model consisting of a dry porous material and a thickness of water equivalent to the moisture content of the material. The current formulation of this composite model relies on certain assumptions, including a monochromatic x-ray photon beam source (i.e., x-ray photons of a single....... Implications of this inconsistency are introduced and discussed. This paper presents both an overview of fundamental descriptions of the x-ray attenuation measurement technique and results from a parametric experimental study of various porous construction materials, including calcium silicate board, aerated...

  5. A multibody motorcycle model with rigid-ring tyres: formulation and validation

    Science.gov (United States)

    Leonelli, Luca; Mancinelli, Nicolò

    2015-06-01

    The aim of this paper is the development and validation of a three-dimensional multibody motorcycle model including a rigid-ring tyre model, taking into account both the slopes and elevation of the road surface. In order to achieve accurate assessment of ride and handling performances of a road racing motorcycle, a tyre model capable of reproducing the dynamic response to actual road excitation is required. While a number of vehicle models with such feature are available for car application, the extension to the motorcycle modelling has not been addressed yet. To do so, a novel parametrisation for the general motorcycle kinematics is proposed, using a mixed reference point and relative coordinates approach. The resulting description, developed in terms of dependent coordinates, makes it possible to include the rigid-ring kinematics as well as road elevation and slopes, without affecting computational efficiency. The equations of motion for the whole multibody system are derived symbolically and the constraint equations arising from the dependent coordinate formulation are handled using the position and velocity vector projection technique. The resulting system of equations is integrated in time domain using a standard ordinary differential equation (ODE) algorithm. Finally, the model is validated with respect to experimentally measured data in both time and frequency domains.

  6. Artificial intelligence in pharmaceutical product formulation: neural computing

    OpenAIRE

    Svetlana Ibrić; Jelena Petrović; Jelena Parojčić; Zorica Djurić

    2009-01-01

    The properties of a formulation are determined not only by the ratios in which the ingredients are combined but also by the processing conditions. Although the relationships between the ingredient levels, processing conditions, and product performance may be known anecdotally, they can rarely be quantified. In the past, formulators tended to use statistical techniques to model their formulations, relying on response surfaces to provide a mechanism for optimazation. However, the optimization b...

  7. Effects of pharmaceutical processing on pepsin activity during the formulation of solid dosage forms.

    Science.gov (United States)

    Kristó, Katalin; Pintye-Hódi, Klára

    2013-02-01

    The main aim of this study was to investigate the effects of pharmaceutical technological methods on pepsin activity during the formulation of solid dosage forms. The circumstances of direct compression and wet granulation were modeled. During direct compression, the heat and the compression force must be taken into consideration. The effects of these parameters were investigated in three materials (pure pepsin, and 1:1 (w/w) pepsin-tartaric acid and 1:1 (w/w) pepsin-citric acid powder mixtures). It was concluded that direct compression is appropriate for the formulation of solid dosage forms containing pepsin through application without acids or with acids at low compression force. The effects of wet granulation were investigated with a factorial design for the same three materials. The factors were time, temperature and moisture content. There was no significant effect of the factors when acids were not applied. Temperature was a significant factor when acids were applied. The negative effect was significantly higher for citric acid than for tartaric acid. It was found that wet granulation can be utilized for the processing of pepsin into solid dosage forms under well-controlled circumstances. The application of citric acid is not recommended during the formulation of solid dosage forms through wet granulation. A mathematically based optimization may be necessary for preformulation studies of the preparation of dosage forms containing sensitive enzymes.

  8. Lagrangian formulation of classical BMT-theory

    International Nuclear Information System (INIS)

    Pupasov-Maksimov, Andrey; Deriglazov, Alexei; Guzman, Walberto

    2013-01-01

    Full text: The most popular classical theory of electron has been formulated by Bargmann, Michel and Telegdi (BMT) in 1959. The BMT equations give classical relativistic description of a charged particle with spin and anomalous magnetic momentum moving in homogeneous electro-magnetic field. This allows to study spin dynamics of polarized beams in uniform fields. In particular, first experimental measurements of muon anomalous magnetic momentum were done using changing of helicity predicted by BMT equations. Surprisingly enough, a systematic formulation and the analysis of the BMT theory are absent in literature. In the present work we particularly fill this gap by deducing Lagrangian formulation (variational problem) for BMT equations. Various equivalent forms of Lagrangian will be discussed in details. An advantage of the obtained classical model is that the Lagrangian action describes a relativistic spinning particle without Grassmann variables, for both free and interacting cases. This implies also the possibility of canonical quantization. In the interacting case, an arbitrary electromagnetic background may be considered, which generalizes the BMT theory formulated to the case of homogeneous fields. The classical model has two local symmetries, which gives an interesting example of constrained classical dynamics. It is surprising, that the case of vanishing anomalous part of the magnetic momentum is naturally highlighted in our construction. (author)

  9. Interactively human: Sharing time, constructing materiality.

    Science.gov (United States)

    Roepstorff, Andreas

    2013-06-01

    Predictive processing models of cognition are promising an elegant way to unite action, perception, and learning. However, in the current formulations, they are species-unspecific and have very little particularly human about them. I propose to examine how, in this framework, humans can be able to massively interact and to build shared worlds that are both material and symbolic.

  10. Matter Loops Corrected Modified Gravity in Palatini Formulation

    International Nuclear Information System (INIS)

    Meng Xinhe; Wang Peng

    2008-01-01

    Recently, corrections to the standard Einstein-Hilbert action were proposed to explain the current cosmic acceleration in stead of introducing dark energy. In the Palatini formulation of those modified gravity models, there is an important observation due to Arkani-Hamed: matter loops will give rise to a correction to the modified gravity action proportional to the Ricci scalar of the metric. In the presence of such a term, we show that the current forms of modified gravity models in Palatini formulation, specifically, the 1/R gravity and ln R gravity, will have phantoms. Then we study the possible instabilities due to the presence of phantom fields. We show that the strong instability in the metric formulation of 1/R gravity indicated by Dolgov and Kawasaki will not appear and the decay timescales for the phantom fields may be long enough for the theories to make sense as effective field theory. On the other hand, if we change the sign of the modification terms to eliminate the phantoms, some other inconsistencies will arise for the various versions of the modified gravity models. Finally, we comment on the universal property of the Palatini formulation of the matter loops corrected modified gravity models and its implications

  11. Analysis and calculation of macrosegregation in a casting ingot. MPS solidification model. Volume 1: Formulation and analysis

    Science.gov (United States)

    Maples, A. L.; Poirier, D. R.

    1980-01-01

    The physical and numerical formulation of a model for the horizontal solidification of a binary alloy is described. It can be applied in an ingot. The major purpose of the model is to calculate macrosegregation in a casting ingot which results from flow of interdendritic liquid during solidification. The flow, driven by solidification contractions and by gravity acting on density gradients in the interdendritic liquid, was modeled as flow through a porous medium. The symbols used are defined. The physical formulation of the problem leading to a set of equations which can be used to obtain: (1) the pressure field; (2) the velocity field: (3) mass flow and (4) solute flow in the solid plus liquid zone during solidification is presented. With these established, the model calculates macrosegregation after solidification is complete. The numerical techniques used to obtain solution on a computational grid are presented. Results, evaluation of the results, and recommendations for future development of the model are given. The macrosegregation and flow field predictions for tin-lead, aluminum-copper, and tin-bismuth alloys are included as well as comparisons of some of the predictions with published predictions or with empirical data.

  12. Radioactive waste disposal: testing and control for setting of plugging and sealing materials in reduced scale models, in boreholes or in shaft excavations

    International Nuclear Information System (INIS)

    1991-01-01

    In the case of an underground disposal of radioactive waste, the free space between the storage containers and the rock embedment must be backfilled in order to restore both mechanical and thermal continuity of the dug out material and to form a physico-chemical barrier against the diffusion into the subsoil of the radionucleides which may be released by the possible failure of a container. The aim of this research program is to formulate a hydraulic binder based sealing material, whose rheological properties at fresh state allow an easy placing and whose mechanical and physico-chemical properties at hardened state guarantee the effectiveness of the impervious barrier. A first part, done in laboratory, pointed out the formulations to be tested on scale models. These models simulate a storage in vertical shafts (high level radioactive waste) and in galleries (medium level radioactive waste), show the efficiency of placing techniques and the behaviour of the sealing submitted to the heat generated by the waste. The sorptive mortar PETRISOL, patented by SOLETANCHE, brings over a solution meeting not only the technical requirements but also the public expectations as far as environmental protection is concerned. 13 figs.; 14 tabs

  13. Analysis of Material Flow in Screw Extrusion of Aluminum

    International Nuclear Information System (INIS)

    Haugen, Bjoern; Oernskar, Magnus; Welo, Torgeir; Wideroee, Fredrik

    2010-01-01

    Screw extrusion of aluminum is a new process for production of aluminum profiles. The commercial potential could be large. Little experimental and numerical work has been done with respect to this process.The material flow of hot aluminum in a screw extruder has been analyzed using finite element formulations for the non-Newtonian Navier-Stokes equations. Aluminum material properties are modeled using the Zener-Holloman material model. Effects of stick-slip conditions are investigated with respect to pressure build up and mixing quality of the extrusion process.The numerical results are compared with physical experiments using an experimental screw extruder.

  14. Advancing Material Models for Automotive Forming Simulations

    International Nuclear Information System (INIS)

    Vegter, H.; An, Y.; Horn, C.H.L.J. ten; Atzema, E.H.; Roelofsen, M.E.

    2005-01-01

    Simulations in automotive industry need more advanced material models to achieve highly reliable forming and springback predictions. Conventional material models implemented in the FEM-simulation models are not capable to describe the plastic material behaviour during monotonic strain paths with sufficient accuracy. Recently, ESI and Corus co-operate on the implementation of an advanced material model in the FEM-code PAMSTAMP 2G. This applies to the strain hardening model, the influence of strain rate, and the description of the yield locus in these models. A subsequent challenge is the description of the material after a change of strain path.The use of advanced high strength steels in the automotive industry requires a description of plastic material behaviour of multiphase steels. The simplest variant is dual phase steel consisting of a ferritic and a martensitic phase. Multiphase materials also contain a bainitic phase in addition to the ferritic and martensitic phase. More physical descriptions of strain hardening than simple fitted Ludwik/Nadai curves are necessary.Methods to predict plastic behaviour of single-phase materials use a simple dislocation interaction model based on the formed cells structures only. At Corus, a new method is proposed to predict plastic behaviour of multiphase materials have to take hard phases into account, which deform less easily. The resulting deformation gradients create geometrically necessary dislocations. Additional micro-structural information such as morphology and size of hard phase particles or grains is necessary to derive the strain hardening models for this type of materials.Measurements available from the Numisheet benchmarks allow these models to be validated. At Corus, additional measured values are available from cross-die tests. This laboratory test can attain critical deformations by large variations in blank size and processing conditions. The tests are a powerful tool in optimising forming simulations prior

  15. Modelling of thermoelectric materials

    DEFF Research Database (Denmark)

    Bjerg, Lasse

    In order to discover new good thermoelectric materials, there are essentially two ways. One way is to go to the laboratory, synthesise a new material, and measure the thermoelectric properties. The amount of compounds, which can be investigated this way is limited because the process is time...... consuming. Another approach is to model the thermoelectric properties of a material on a computer. Several crystal structures can be investigated this way without use of much man power. I have chosen the latter approach. Using density functional theory I am able to calculate the band structure of a material....... This band structure I can then use to calculate the thermoelectric properties of the material. With these results I have investigated several materials and found the optimum theoretical doping concentration. If materials with these doping concentrations be synthesised, considerably better thermoelectric...

  16. MICHIGAN SOIL VAPOR EXTRACTION REMEDIATION (MISER) MODEL: A COMPUTER PROGRAM TO MODEL SOIL VAPORT EXTRACTION AND BIOVENTING OF ORGANIC MATERIALS IN UNSATURATED GEOLOGICAL MATERIAL

    Science.gov (United States)

    This report describes the formulation, numerical development, and use of a multiphase, multicomponent, biodegradation model designed to simulate physical, chemical, and biological interactions occurring primarily in field scale soil vapor extraction (SVE) and bioventing (B...

  17. Melt extrusion vs. spray drying: The effect of processing methods on crystalline content of naproxen-povidone formulations.

    Science.gov (United States)

    Haser, Abbe; Cao, Tu; Lubach, Joe; Listro, Tony; Acquarulo, Larry; Zhang, Feng

    2017-05-01

    Our hypothesis is that melt extrusion is a more suitable processing method than spray drying to prepare amorphous solid dispersions of drugs with a high crystallization tendency. Naproxen-povidone K25 was used as the model system in this study. Naproxen-povidone K25 solid dispersions at 30% and 60% drug loadings were characterized by modulated DSC, powder X-ray diffraction, FT-IR, and solid-state 13 C NMR to identify phase separation and drug recrystallization during processing and storage. At 30% drug loading, hydrogen bond (H-bond) sites of povidone K25 were not saturated and the glass transition (T g ) temperature of the formulation was higher. As a result, both melt-extruded and spray-dried materials were amorphous initially and remained so after storage at 40°C. At 60% drug loading, H-bond sites were saturated, and T g was low. We were not able to prepare amorphous materials. The initial crystallinity of the formulations was 0.4%±0.2% and 5.6%±0.6%, and increased to 2.7%±0.3% and 21.6%±1.0% for melt-extruded and spray-dried materials, respectively. Spray-dried material was more susceptible to re-crystallization during processing, due to the high diffusivity of naproxen molecules in the formulation matrix and lack of kinetic stabilization from polymer solution. A larger number of crystalline nucleation sites and high surface area made the spray-dried material more susceptible to recrystallization during storage. This study demonstrated the unique advantages of melt extrusion over spray drying for the preparation of amorphous solid dispersions of naproxen at high drug level. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Mathematical modeling of the dynamic stability of fluid conveying pipe based on integral equation formulations

    International Nuclear Information System (INIS)

    Elfelsoufi, Z.; Azrar, L.

    2016-01-01

    In this paper, a mathematical modeling of flutter and divergence analyses of fluid conveying pipes based on integral equation formulations is presented. Dynamic stability problems related to fluid pressure, velocity, tension, topography slope and viscoelastic supports and foundations are formulated. A methodological approach is presented and the required matrices, associated to the influencing fluid and pipe parameters, are explicitly given. Internal discretizations are used allowing to investigate the deformation, the bending moment, slope and shear force at internal points. Velocity–frequency, pressure-frequency and tension-frequency curves are analyzed for various fluid parameters and internal elastic supports. Critical values of divergence and flutter behaviors with respect to various fluid parameters are investigated. This model is general and allows the study of dynamic stability of tubes crossed by stationary and instationary fluid on various types of supports. Accurate predictions can be obtained and are of particular interest for a better performance and for an optimal safety of piping system installations. - Highlights: • Modeling the flutter and divergence of fluid conveying pipes based on RBF. • Dynamic analysis of a fluid conveying pipe with generalized boundary conditions. • Considered parameters fluid are the pressure, tension, slopes topography, velocity. • Internal support increase the critical velocity value. • This methodologies determine the fluid parameters effects.

  19. Development of Oral Flexible Tablet (OFT) Formulation for Pediatric and Geriatric Patients: a Novel Age-Appropriate Formulation Platform.

    Science.gov (United States)

    Chandrasekaran, Prabagaran; Kandasamy, Ruckmani

    2017-08-01

    Development of palatable formulations for pediatric and geriatric patients involves various challenges. However, an innovative development with beneficial characteristics of marketed formulations in a single formulation platform was attempted. The goal of this research was to develop solid oral flexible tablets (OFTs) as a platform for pediatrics and geriatrics as oral delivery is the most convenient and widely used mode of drug administration. For this purpose, a flexible tablet formulation using cetirizine hydrochloride as model stability labile class 1 and 3 drug as per the Biopharmaceutical Classification System was developed. Betadex, Eudragit E100, and polacrilex resin were evaluated as taste masking agents. Development work focused on excipient selection, formulation processing, characterization methods, stability, and palatability testing. Formulation with a cetirizine-to-polacrilex ratio of 1:2 to 1:3 showed robust physical strength with friability of 0.1% (w/w), rapid in vitro dispersion within 30 s in 2-6 ml of water, and 0.2% of total organic and elemental impurities. Polacrilex resin formulation shows immediate drug release within 30 min in gastric media, better taste masking, and acceptable stability. Hence, it is concluded that ion exchange resins can be appropriately used to develop taste-masked, rapidly dispersible, and stable tablet formulations with tailored drug release suitable for pediatrics and geriatrics. Flexible formulations can be consumed as swallowable, orally disintegrating, chewable, and as dispersible tablets. Flexibility in dose administration would improve compliance in pediatrics and geriatrics. This drug development approach using ion exchange resins can be a platform for formulating solid oral flexible drug products with low to medium doses.

  20. Numerical Forming Simulations and Optimisation in Advanced Materials

    International Nuclear Information System (INIS)

    Huetink, J.; Boogaard, A. H. van den; Geijselears, H. J. M.; Meinders, T.

    2007-01-01

    With the introduction of new materials as high strength steels, metastable steels and fibre reinforced composites, the need for advanced physically valid constitutive models arises. In finite deformation problems constitutive relations are commonly formulated in terms the Cauchy stress as a function of the elastic Finger tensor and an objective rate of the Cauchy stress as a function of the rate of deformation tensor. For isotropic materials models this is rather straightforward, but for anisotropic material models, including elastic anisotropy as well as plastic anisotropy, this may lead to confusing formulations. It will be shown that it is more convenient to define the constitutive relations in terms of invariant tensors referred to the deformed metric. Experimental results are presented that show new combinations of strain rate and strain path sensitivity. An adaptive through- thickness integration scheme for plate elements is developed, which improves the accuracy of spring back prediction at minimal costs. A procedure is described to automatically compensate the CAD tool shape numerically to obtain the desired product shape. Forming processes need to be optimized for cost saving and product improvement. Until recently, a trial-and-error process in the factory primarily did this optimization. An optimisation strategy is proposed that assists an engineer to model an optimization problem that suits his needs, including an efficient algorithm for solving the problem

  1. Compressibility of binary powder formulations: investigation and evaluation with compaction equations.

    Science.gov (United States)

    Gentis, Nicolaos D; Betz, Gabriele

    2012-02-01

    The purpose of this work was to investigate and evaluate the powder compressibility of binary mixtures containing a well-compressible compound (microcrystalline cellulose) and a brittle active drug (paracetamol and mefenamic acid) and its progression after a drug load increase. Drug concentration range was 0%-100% (m/m) with 10% intervals. The powder formulations were compacted to several relative densities with the Zwick material tester. The compaction force and tensile strength were fitted to several mathematical models that give representative factors for the powder compressibility. The factors k and C (Heckel and modified Heckel equation) showed mostly a nonlinear correlation with increasing drug load. The biggest drop in both factors occurred at far regions and drug load ranges. This outcome is crucial because in binary mixtures the drug load regions with higher changeover of plotted factors could be a hint for an existing percolation threshold. The susceptibility value (Leuenberger equation) showed varying values for each formulation without the expected trend of decrease for higher drug loads. The outcomes of this study showed the main challenges for good formulation design. Thus, we conclude that such mathematical plots are mandatory for a scientific evaluation and prediction of the powder compaction process. Copyright © 2011 Wiley Periodicals, Inc.

  2. Validation of a New Elastoplastic Constitutive Model Dedicated to the Cyclic Behaviour of Brittle Rock Materials

    Science.gov (United States)

    Cerfontaine, B.; Charlier, R.; Collin, F.; Taiebat, M.

    2017-10-01

    Old mines or caverns may be used as reservoirs for fuel/gas storage or in the context of large-scale energy storage. In the first case, oil or gas is stored on annual basis. In the second case pressure due to water or compressed air varies on a daily basis or even faster. In both cases a cyclic loading on the cavern's/mine's walls must be considered for the design. The complexity of rockwork geometries or coupling with water flow requires finite element modelling and then a suitable constitutive law for the rock behaviour modelling. This paper presents and validates the formulation of a new constitutive law able to represent the inherently cyclic behaviour of rocks at low confinement. The main features of the behaviour evidenced by experiments in the literature depict a progressive degradation and strain of the material with the number of cycles. A constitutive law based on a boundary surface concept is developed. It represents the brittle failure of the material as well as its progressive degradation. Kinematic hardening of the yield surface allows the modelling of cycles. Isotropic softening on the cohesion variable leads to the progressive degradation of the rock strength. A limit surface is introduced and has a lower opening than the bounding surface. This surface describes the peak strength of the material and allows the modelling of a brittle behaviour. In addition a fatigue limit is introduced such that no cohesion degradation occurs if the stress state lies inside this surface. The model is validated against three different rock materials and types of experiments. Parameters of the constitutive laws are calibrated against uniaxial tests on Lorano marble, triaxial test on a sandstone and damage-controlled test on Lac du Bonnet granite. The model is shown to reproduce correctly experimental results, especially the evolution of strain with number of cycles.

  3. Mixed finite-element formulations in piezoelectricity and flexoelectricity.

    Science.gov (United States)

    Mao, Sheng; Purohit, Prashant K; Aravas, Nikolaos

    2016-06-01

    Flexoelectricity, the linear coupling of strain gradient and electric polarization, is inherently a size-dependent phenomenon. The energy storage function for a flexoelectric material depends not only on polarization and strain, but also strain-gradient. Thus, conventional finite-element methods formulated solely on displacement are inadequate to treat flexoelectric solids since gradients raise the order of the governing differential equations. Here, we introduce a computational framework based on a mixed formulation developed previously by one of the present authors and a colleague. This formulation uses displacement and displacement-gradient as separate variables which are constrained in a 'weighted integral sense' to enforce their known relation. We derive a variational formulation for boundary-value problems for piezo- and/or flexoelectric solids. We validate this computational framework against available exact solutions. Our new computational method is applied to more complex problems, including a plate with an elliptical hole, stationary cracks, as well as tension and shear of solids with a repeating unit cell. Our results address several issues of theoretical interest, generate predictions of experimental merit and reveal interesting flexoelectric phenomena with potential for application.

  4. A new formulation of non-relativistic diffeomorphism invariance

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Rabin, E-mail: rabin@bose.res.in [S.N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata-700 098 (India); Mitra, Arpita, E-mail: arpita12t@bose.res.in [S.N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata-700 098 (India); Mukherjee, Pradip, E-mail: mukhpradip@gmail.com [Department of Physics, Barasat Government College, Barasat, West Bengal (India)

    2014-10-07

    We provide a new formulation of non-relativistic diffeomorphism invariance. It is generated by localising the usual global Galilean symmetry. The correspondence with the type of diffeomorphism invariant models currently in vogue in the theory of fractional quantum Hall effect has been discussed. Our construction is shown to open up a general approach of model building in theoretical condensed matter physics. Also, this formulation has the capacity of obtaining Newton–Cartan geometry from the gauge procedure.

  5. A finite strain Eulerian formulation for compressible and nearly incompressible hyperelasticity using high-order B-spline finite elements

    KAUST Repository

    Duddu, Ravindra

    2011-10-05

    We present a numerical formulation aimed at modeling the nonlinear response of elastic materials using large deformation continuum mechanics in three dimensions. This finite element formulation is based on the Eulerian description of motion and the transport of the deformation gradient. When modeling a nearly incompressible solid, the transport of the deformation gradient is decomposed into its isochoric part and the Jacobian determinant as independent fields. A homogeneous isotropic hyperelastic solid is assumed and B-splines-based finite elements are used for the spatial discretization. A variational multiscale residual-based approach is employed to stabilize the transport equations. The performance of the scheme is explored for both compressible and nearly incompressible applications. The numerical results are in good agreement with theory illustrating the viability of the computational scheme. © 2011 John Wiley & Sons, Ltd.

  6. Development of a formalism of movable cellular automaton method for numerical modeling of fracture of heterogeneous elastic-plastic materials

    Directory of Open Access Journals (Sweden)

    S. Psakhie

    2013-04-01

    Full Text Available A general approach to realization of models of elasticity, plasticity and fracture of heterogeneous materials within the framework of particle-based numerical methods is proposed in the paper. It is based on building many-body forces of particle interaction, which provide response of particle ensemble correctly conforming to the response (including elastic-plastic behavior and fracture of simulated solids. Implementation of proposed approach within particle-based methods is demonstrated by the example of the movable cellular automaton (MCA method, which integrates the possibilities of particle-based discrete element method (DEM and cellular automaton methods. Emergent advantages of the developed approach to formulation of many-body interaction are discussed. Main of them are its applicability to various realizations of the concept of discrete elements and a possibility to realize various rheological models (including elastic-plastic or visco-elastic-plastic and models of fracture to study deformation and fracture of solid-phase materials and media. Capabilities of particle-based modeling of heterogeneous solids are demonstrated by the problem of simulation of deformation and fracture of particle-reinforced metal-ceramic composites.

  7. Glass Property Models and Constraints for Estimating the Glass to be Produced at Hanford by Implementing Current Advanced Glass Formulation Efforts

    Energy Technology Data Exchange (ETDEWEB)

    Vienna, John D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kim, Dong-Sang [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Skorski, Daniel C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Matyas, Josef [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2013-07-01

    Recent glass formulation and melter testing data have suggested that significant increases in waste loading in HLW and LAW glasses are possible over current system planning estimates. The data (although limited in some cases) were evaluated to determine a set of constraints and models that could be used to estimate the maximum loading of specific waste compositions in glass. It is recommended that these models and constraints be used to estimate the likely HLW and LAW glass volumes that would result if the current glass formulation studies are successfully completed. It is recognized that some of the models are preliminary in nature and will change in the coming years. Plus the models do not currently address the prediction uncertainties that would be needed before they could be used in plant operations. The models and constraints are only meant to give an indication of rough glass volumes and are not intended to be used in plant operation or waste form qualification activities. A current research program is in place to develop the data, models, and uncertainty descriptions for that purpose. A fundamental tenet underlying the research reported in this document is to try to be less conservative than previous studies when developing constraints for estimating the glass to be produced by implementing current advanced glass formulation efforts. The less conservative approach documented herein should allow for the estimate of glass masses that may be realized if the current efforts in advanced glass formulations are completed over the coming years and are as successful as early indications suggest they may be. Because of this approach there is an unquantifiable uncertainty in the ultimate glass volume projections due to model prediction uncertainties that has to be considered along with other system uncertainties such as waste compositions and amounts to be immobilized, split factors between LAW and HLW, etc.

  8. DNA/RNA-based formulations for treatment of breast cancer.

    Science.gov (United States)

    Xie, Zhaolu; Zeng, Xianghui

    2017-12-01

    To develop a successful formulation for the gene therapy of breast cancer, an effective therapeutic nucleic acid and a proper delivery system are essential. Increased understanding of breast cancer, and developments in biotechnology, material science and nanotechnology have provided a major impetus in the development of effective formulations for the gene therapy of breast cancer. Areas covered: We discuss DNA/RNA-based formulations that can inhibit the growth of breast cancer cells and control the progress of breast cancer. Targets for the gene therapy of breast cancer, DNA/RNA-based therapeutics and delivery systems are summarized. And examples of successful DNA/RNA-based formulations for breast cancer gene therapy are reviewed. Expert opinion: Several challenges remain in developing effective DNA/RNA-based formulations for treatment of breast cancer. Firstly, most of the currently utilized targets are not effective enough as monotherapy for breast cancer. Secondly, the requirements for co-delivery system make the preparation of formulation more complicated. Thirdly, nanoparticles with the modification of tumor-targeting ligands could be more unstable in circulation and normal tissues. Lastly, immune responses against the viral vectors are unfavorable for the gene therapy of breast cancer because of the damage to the host and the impaired therapeutic ability.

  9. Linear programming: an alternative approach for developing formulations for emergency food products.

    Science.gov (United States)

    Sheibani, Ershad; Dabbagh Moghaddam, Arasb; Sharifan, Anousheh; Afshari, Zahra

    2018-03-01

    To minimize the mortality rates of individuals affected by disasters, providing high-quality food relief during the initial stages of an emergency is crucial. The goal of this study was to develop a formulation for a high-energy, nutrient-dense prototype using linear programming (LP) model as a novel method for developing formulations for food products. The model consisted of the objective function and the decision variables, which were the formulation costs and weights of the selected commodities, respectively. The LP constraints were the Institute of Medicine and the World Health Organization specifications of the content of nutrients in the product. Other constraints related to the product's sensory properties were also introduced to the model. Nonlinear constraints for energy ratios of nutrients were linearized to allow their use in the LP. Three focus group studies were conducted to evaluate the palatability and other aspects of the optimized formulation. New constraints were introduced to the LP model based on the focus group evaluations to improve the formulation. LP is an appropriate tool for designing formulations of food products to meet a set of nutritional requirements. This method is an excellent alternative to the traditional 'trial and error' method in designing formulations. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  10. Analysis and Characterization of Damage and Failure Utilizing a Generalized Composite Material Model Suitable for Use in Impact Problems

    Science.gov (United States)

    Goldberg, Robert K.; Carney, Kelly S.; DuBois, Paul; Khaled, Bilal; Hoffarth, Canio; Rajan, Subramaniam; Blankenhorn, Gunther

    2016-01-01

    A material model which incorporates several key capabilities which have been identified by the aerospace community as lacking in state-of-the art composite impact models is under development. In particular, a next generation composite impact material model, jointly developed by the FAA and NASA, is being implemented into the commercial transient dynamic finite element code LS-DYNA. The material model, which incorporates plasticity, damage, and failure, utilizes experimentally based tabulated input to define the evolution of plasticity and damage and the initiation of failure as opposed to specifying discrete input parameters (such as modulus and strength). The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. For the damage model, a strain equivalent formulation is utilized to allow for the uncoupling of the deformation and damage analyses. In the damage model, a semi-coupled approach is employed where the overall damage in a particular coordinate direction is assumed to be a multiplicative combination of the damage in that direction resulting from the applied loads in the various coordinate directions. Due to the fact that the plasticity and damage models are uncoupled, test procedures and methods to both characterize the damage model and to covert the material stress-strain curves from the true (damaged) stress space to the effective (undamaged) stress space have been developed. A methodology has been developed to input the experimentally determined composite failure surface in a tabulated manner. An analytical approach is then utilized to track how close the current stress state is to the failure surface.

  11. Comments on alternate formulations for preequilibrium decay

    International Nuclear Information System (INIS)

    Blann, M.

    1978-01-01

    The physical and mathematical differences of several formulations for preequilibrium decay are discussed. Mathematical models and examples are presented or referred to in order to illustrate what the author believes to be errors in the exciton formulation as being due to improper inclusion of spectator effects. An earlier work of Gadioli et al. is reinterpreted, and quotations therein to work of the present author are corrected

  12. Worldwide Mycotoxins Exposure in Pig and Poultry Feed Formulations

    OpenAIRE

    Guerre, Philippe

    2016-01-01

    The purpose of this review is to present information about raw materials that can be used in pig and poultry diets and the factors responsible for variations in their mycotoxin contents. The levels of mycotoxins in pig and poultry feeds are calculated based on mycotoxin contamination levels of the raw materials with different diet formulations, to highlight the important role the stage of production and the raw materials used can have on mycotoxins levels in diets. Our analysis focuses on myc...

  13. Modelling Li-ion cell thermal runaway triggered by an internal short circuit device using an efficiency factor and Arrhenius formulations

    DEFF Research Database (Denmark)

    Coman, Paul Tiberiu; Darcy, Eric; Veje, Christian

    2017-01-01

    This paper presents a novel model for analyzing the thermal runaway in Li-ion battery cells with an internal short circuit device implanted in the cell. The model is constructed using Arrhenius formulations for representing the self-heating chemical reactions and the State of Charge. The model...

  14. One-dimensional energy flow model for poroelastic material

    International Nuclear Information System (INIS)

    Kim, Jung Soo; Kang, Yeon June

    2009-01-01

    This paper presents a one-dimensional energy flow model to investigate the energy behavior for poroelastic media coupled with acoustical media. The proposed energy flow model is expressed by an independent energy governing equation that is classified into each wave component propagating in poroelastic media. The energy governing equation is derived using the General Energetic Method (GEM). To facilitate a comparison with the classical solution based on the conventional displacement-base formulation, approximate solutions of energy density and intensity are obtained. Furthermore, the limitations and usability of the proposed energy flow model for poroelastic media are described.

  15. Comparative analysis of several sediment transport formulations applied to dam-break flows over erodible beds

    Science.gov (United States)

    Cea, Luis; Bladé, Ernest; Corestein, Georgina; Fraga, Ignacio; Espinal, Marc; Puertas, Jerónimo

    2014-05-01

    studied. The first one is the benchmark case presented in Soares-Frazao et al. (2012), and consists in an instanteneous dam-break flow over a sand bed. The second one corresponds to the experimental studies performed at the Engineering Faculty of the UNAM (Fuentes-Mariles et al. (2010)) and consists in the erosion of a volcanic sand dike by an overtopping flow. In both cases experimental measurements of water depth and bed evolution are available to evaluate the performance of different sediment transport formulations. A sensitivity analysis to the physical properties of the bed material (grain density and size) is also presented for each formulation, in order to analyse to which degree the properties of the bed material need to be defined in the numerical model. References Bladé, E., Cea, L., Corestein, G., Escolano, E., Puertas, J., Vázquez-Cendón, M.E., Dolz, J., Coll, A. (2014). Iber: herramienta de simulación numérica del flujo en ríos. Revista Internacional de Métodos Numéricos para Cálculo y Diseño en Ingeniería, Vol.30(1), pp.1-10 Fuentes-Mariles, Ó. A., Cruz-Gerón, J. A., Rivera-Díaz, C., Luna-Cruz, F., and González-Prado, J. (2010). "Caracterización Experimental de Ruptura de Diques." XXIV Congreso Latinoamericano de Hidráulica Soares-Frazão et al. (2012). Dambreak flows over mobile beds: experiments and benchmark tests for numerical models. Journal of Hydraulic Research, Vol.50(4), pp.364-375

  16. Biopharmaceutical formulations for pre-filled delivery devices.

    Science.gov (United States)

    Jezek, Jan; Darton, Nicholas J; Derham, Barry K; Royle, Nikki; Simpson, Iain

    2013-06-01

    Pre-filled syringes are becoming an increasingly popular format for delivering biotherapeutics conveniently and cost effectively. The device design and stable liquid formulations required to enable this pre-filled syringe format are technically challenging. In choosing the materials and process conditions to fabricate the syringe unit, their compatibility with the biotherapeutic needs to be carefully assessed. The biothereaputic stability demanded for the production of syringe-compatible low-viscosity liquid solutions requires critical excipient choices to be made. The purpose of this review is to discuss key issues related to the stability aspects of biotherapeutics in pre-filled devices. This includes effects on both physical and chemical stability due to a number of stress conditions the product is subjected to, as well as interactions with the packaging system. Particular attention is paid to the control of stability by formulation. We anticipate that there will be a significant move towards polymer primary packaging for most drugs in the longer term. The timescales for this will depend on a number of factors and hence will be hard to predict. Formulation will play a critical role in developing successful products in the pre-filled syringe format, particularly with the trend towards concentrated biotherapeutics. Development of novel, smart formulation technologies will, therefore, be increasingly important.

  17. Artificial intelligence in pharmaceutical product formulation: neural computing

    Directory of Open Access Journals (Sweden)

    Svetlana Ibrić

    2009-10-01

    Full Text Available The properties of a formulation are determined not only by the ratios in which the ingredients are combined but also by the processing conditions. Although the relationships between the ingredient levels, processing conditions, and product performance may be known anecdotally, they can rarely be quantified. In the past, formulators tended to use statistical techniques to model their formulations, relying on response surfaces to provide a mechanism for optimazation. However, the optimization by such a method can be misleading, especially if the formulation is complex. More recently, advances in mathematics and computer science have led to the development of alternative modeling and data mining techniques which work with a wider range of data sources: neural networks (an attempt to mimic the processing of the human brain; genetic algorithms (an attempt to mimic the evolutionary process by which biological systems self-organize and adapt, and fuzzy logic (an attempt to mimic the ability of the human brain to draw conclusions and generate responses based on incomplete or imprecise information. In this review the current technology will be examined, as well as its application in pharmaceutical formulation and processing. The challenges, benefits and future possibilities of neural computing will be discussed.

  18. Intermediate release formulations of diclofenac potassium tablets for IVIVC.

    Science.gov (United States)

    Ali, Huma; Shoaib, Muhammad Harris; Zafar, Farya; Bushra, Rabia; Yasmin, Riffat; Siddiqui, Shehla; Alam, Zafar M

    2016-07-01

    In recent days response surface methodology (RSM) has widely been applied for development and optimization of cost effective formulations with required quality. Study comprised of three steps including micromeritic comparison of different powder blends of placebo and diclofenac potassium (DP), formulation designing with CCRD (Design Expert, version 7.0.0), and stability testing of selected formulations by using R Gui. Ten formulations (F11-F20) were developed using microcrystalline cellulose (Avicel PH-102) (X1) (13-72%), methocel K15M (X2) (6.59-23.4%) and magnesium stearate (X3) (1.32-4.68%), while responses were % friability and % drug release. Blending rate constant was determined at 3, 6, 9 and 12 minutes. The results of physicochemical parameters were found within acceptable limits. After in vitro testing at pH 1.2, pH 4.5 and pH 6.8, mechanism of drug release, kinetic analysis and statistical evaluation were carried out by model - independent, model-dependent and one-way ANOVA methods. Most formulations followed zero order kinetics at higher pH. Fickian release (0.326 ≤ n ≤0.449) was observed with β greater than 0.5 and less than 1. ANOVA indicated no significant variation within and between formulations as p-values were found to be > 0.05.

  19. The influence of high shear mixing on ternary dry powder inhaler formulations.

    Science.gov (United States)

    Hertel, Mats; Schwarz, Eugen; Kobler, Mirjam; Hauptstein, Sabine; Steckel, Hartwig; Scherließ, Regina

    2017-12-20

    The blending process is a key step in the production of dry powder inhaler formulations, but only little is known about the influence of process parameters. This is especially true for high shear blending of ternary formulations. For this reason, this study aims to investigate the influence of high shear mixing process parameters (mixing time and rotation speed) on the fine particle fraction (FPF) of ternary mixtures when using budesonide as model drug, two different carrier materials and two different mixing orders. Prolonged mixing time and higher rotation speeds led to lower FPFs, possibly due to higher press-on forces acting on the active pharmaceutical ingredients (API). In addition, a clear correlation between the energy consumption of the blender (the energy input into the blend) and the reduction of the FPF could be shown. Furthermore blending the carrier and the fines before adding the API was also found to be favorable. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Elastic constants of stressed and unstressed materials in the phase-field crystal model

    Science.gov (United States)

    Wang, Zi-Le; Huang, Zhi-Feng; Liu, Zhirong

    2018-04-01

    A general procedure is developed to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase-field crystal (PFC) models. It is found that for a complete description of system response to elastic deformation, the variations of all the quantities of lattice wave vectors, their density amplitudes (including the corresponding anisotropic variation and degeneracy breaking), the average atomic density, and system volume should be incorporated. The quantitative and qualitative results of elastic constant calculations highly depend on the physical interpretation of the density field used in the model, and also importantly, on the intrinsic pressure that usually pre-exists in the model system. A formulation based on thermodynamics is constructed to account for the effects caused by constant pre-existing stress during the homogeneous elastic deformation, through the introducing of a generalized Gibbs free energy and an effective finite strain tensor used for determining the elastic constants. The elastic properties of both solid and liquid states can be well produced by this unified approach, as demonstrated by an analysis for the liquid state and numerical evaluations for the bcc solid phase. The numerical calculations of bcc elastic constants and Poisson's ratio through this method generate results that are consistent with experimental conditions, and better match the data of bcc Fe given by molecular dynamics simulations as compared to previous work. The general theory developed here is applicable to the study of different types of stressed or unstressed material systems under elastic deformation.

  1. A simulation model for material accounting systems

    International Nuclear Information System (INIS)

    Coulter, C.A.; Thomas, K.E.

    1987-01-01

    A general-purpose model that was developed to simulate the operation of a chemical processing facility for nuclear materials has been extended to describe material measurement and accounting procedures as well. The model now provides descriptors for material balance areas, a large class of measurement instrument types and their associated measurement errors for various classes of materials, the measurement instruments themselves with their individual calibration schedules, and material balance closures. Delayed receipt of measurement results (as for off-line analytical chemistry assay), with interim use of a provisional measurement value, can be accurately represented. The simulation model can be used to estimate inventory difference variances for processing areas that do not operate at steady state, to evaluate the timeliness of measurement information, to determine process impacts of measurement requirements, and to evaluate the effectiveness of diversion-detection algorithms. Such information is usually difficult to obtain by other means. Use of the measurement simulation model is illustrated by applying it to estimate inventory difference variances for two material balance area structures of a fictitious nuclear material processing line

  2. Introduction to covariant formulation of superstring (field) theory

    International Nuclear Information System (INIS)

    Anon.

    1987-01-01

    The author discusses covariant formulation of superstring theories based on BRS invariance. New formulation of superstring was constructed by Green and Schwarz in the light-cone gauge first and then a covariant action was discovered. The covariant action has some interesting geometrical interpretation, however, covariant quantizations are difficult to perform because of existence of local supersymmetries. Introducing extra variables into the action, a modified action has been proposed. However, it would be difficult to prescribe constraints to define a physical subspace, or to reproduce the correct physical spectrum. Hence the old formulation, i.e., the Neveu-Schwarz-Ramond (NSR) model for covariant quantization is used. The author begins by quantizing the NSR model in a covariant way using BRS charges. Then the author discusses the field theory of (free) superstring

  3. Modeling and analysis of power processing systems: Feasibility investigation and formulation of a methodology

    Science.gov (United States)

    Biess, J. J.; Yu, Y.; Middlebrook, R. D.; Schoenfeld, A. D.

    1974-01-01

    A review is given of future power processing systems planned for the next 20 years, and the state-of-the-art of power processing design modeling and analysis techniques used to optimize power processing systems. A methodology of modeling and analysis of power processing equipment and systems has been formulated to fulfill future tradeoff studies and optimization requirements. Computer techniques were applied to simulate power processor performance and to optimize the design of power processing equipment. A program plan to systematically develop and apply the tools for power processing systems modeling and analysis is presented so that meaningful results can be obtained each year to aid the power processing system engineer and power processing equipment circuit designers in their conceptual and detail design and analysis tasks.

  4. Free Material Design with Multiple Load Cases

    DEFF Research Database (Denmark)

    Pedersen, Pauli; Pedersen, Niels Leergaard

    2012-01-01

    Multiple load cases and the consideration of strength is a reality that most structural designs are exposed to. Improved possibility to produce specific materials, say by fiber lay-up, put focus on research on free material optimization. A formulation for such design problems together with a prac......Multiple load cases and the consideration of strength is a reality that most structural designs are exposed to. Improved possibility to produce specific materials, say by fiber lay-up, put focus on research on free material optimization. A formulation for such design problems together...... with a practical recursive design procedure is presented and illustrated with examples. The presented finite element analysis involve many elements as well as many load cases. Separating the local amount of material from a description with unit trace for the local anisotropy, gives the free materials formulation...... a more physical interpretation of the material constraint....

  5. Influence of cellulose derivative and ethylene glycol on optimization of lornoxicam transdermal formulation.

    Science.gov (United States)

    Shahzad, Yasser; Khan, Qalandar; Hussain, Talib; Shah, Syed Nisar Hussain

    2013-10-01

    Lornoxicam containing topically applied lotions were formulated and optimized with the aim to deliver it transdermally. The formulated lotions were evaluated for pH, viscosity and in vitro permeation studies through silicone membrane using Franz diffusion cells. Data were fitted to linear, quadratic and cubic models and best fit model was selected to investigate the influence of variables, namely hydroxypropyl methylcellulose (HPMC) and ethylene glycol (EG) on permeation of lornoxicam from topically applied lotion formulations. The best fit quadratic model revealed that low level of HPMC and intermediate level of EG in the formulation was optimum for enhancing the drug flux across silicone membrane. FT-IR analysis confirmed absence of drug-polymer interactions. Selected optimized lotion formulation was then subjected to accelerated stability testing, sensatory perception testing and in vitro permeation across rabbit skin. The drug flux from the optimized lotion across rabbit skin was significantly better that that from the control formulation. Furthermore, sensatory perception test rated a higher acceptability while lotion was stable over stability testing period. Therefore, use of Box-Wilson statistical design successfully elaborated the influence of formulation variables on permeation of lornoxicam form topical formulations, thus, helped in optimization of the lotion formulation. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Global nuclear material flow/control model

    International Nuclear Information System (INIS)

    Dreicer, J.S.; Rutherford, D.S.; Fasel, P.K.; Riese, J.M.

    1997-01-01

    This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The nuclear danger can be reduced by a system for global management, protection, control, and accounting as part of an international regime for nuclear materials. The development of an international fissile material management and control regime requires conceptual research supported by an analytical and modeling tool which treats the nuclear fuel cycle as a complete system. The prototype model developed visually represents the fundamental data, information, and capabilities related to the nuclear fuel cycle in a framework supportive of national or an international perspective. This includes an assessment of the global distribution of military and civilian fissile material inventories, a representation of the proliferation pertinent physical processes, facility specific geographic identification, and the capability to estimate resource requirements for the management and control of nuclear material. The model establishes the foundation for evaluating the global production, disposition, and safeguards and security requirements for fissile nuclear material and supports the development of other pertinent algorithmic capabilities necessary to undertake further global nuclear material related studies

  7. Recent advances in co-amorphous drug formulations

    DEFF Research Database (Denmark)

    Dengale, Swapnil Jayant; Grohganz, Holger; Rades, Thomas

    2016-01-01

    with other amorphous stabilization techniques. Because of this, several research groups started to investigate the co-amorphous formulation approach, resulting in an increasing amount of scientific publications over the last few years. This study provides an overview of the co-amorphous field and its recent......Co-amorphous drug delivery systems have recently gained considerable interest in the pharmaceutical field because of their potential to improve oral bioavailability of poorly water-soluble drugs through drug dissolution enhancement as a result of the amorphous nature of the material. A co...... findings. In particular, we investigate co-amorphous formulations from the viewpoint of solid dispersions, describe their formation and mechanism of stabilization, study their impact on dissolution and in vivo performance and briefly outline the future potentials....

  8. Green chemistry volumetric titration kit for pharmaceutical formulations: Econoburette

    Directory of Open Access Journals (Sweden)

    Man Singh

    2009-08-01

    Full Text Available Stopcock SC and Spring Sp models of Econoburette (Calibrated, RTC (NR, Ministry of Small Scale Industries, Government of India, developed for semimicro volumetric titration of pharmaceutical formulations are reported. These are economized and risk free titration where pipette is replaced by an inbuilt pipette and conical flask by inbuilt bulb. A step of pipetting of stock solution by mouth is deleted. It is used to allow solution exposure to user’s body. This risk is removed and even volatile and toxic solutions are titrated with full proof safety. Econoburette minimizes use of materials and time by 90 % and prevent discharge of polluting effluent to environment. Few acid and base samples are titrated and an analysis of experimental expenditure is described in the papers.

  9. Numerical simulation of the roll levelling of third generation fortiform 1050 steel using a nonlinear combined hardening material model

    Science.gov (United States)

    Galdos, L.; Saenz de Argandoña, E.; Mendiguren, J.; Silvestre, E.

    2017-09-01

    The roll levelling is a flattening process used to remove the residual stresses and imperfections of metal strips by means of plastic deformations. During the process, the metal sheet is subjected to cyclic tension-compression deformations leading to a flat product. The process is especially important to avoid final geometrical errors when coils are cold formed or when thick plates are cut by laser. In the last years, and due to the appearance of high strength materials such as Ultra High Strength Steels, machine design engineers are demanding reliable tools for the dimensioning of the levelling facilities. Like in other metal forming fields, finite element analysis seems to be the most widely used solution to understand the occurring phenomena and to calculate the processing loads. In this paper, the roll levelling process of the third generation Fortiform 1050 steel is numerically analysed. The process has been studied using the MSC MARC software and two different material laws. A pure isotropic hardening law has been used and set as the baseline study. In the second part, tension-compression tests have been carried out to analyse the cyclic behaviour of the steel. With the obtained data, a new material model using a combined isotropic-kinematic hardening formulation has been fitted. Finally, the influence of the material model in the numerical results has been analysed by comparing a pure isotropic model and the later combined mixed hardening model.

  10. Dermal pharmacokinetics of microemulsion formulations determined by in vivo microdialysis

    DEFF Research Database (Denmark)

    Kreilgaard, Mads

    2001-01-01

    To investigate the potential of improving dermal drug delivery of hydrophilic and lipophilic substances by formulation in microemulsion vehicles and to establish a reliable pharmacokinetic model to analyze cutaneous microdialysis data.......To investigate the potential of improving dermal drug delivery of hydrophilic and lipophilic substances by formulation in microemulsion vehicles and to establish a reliable pharmacokinetic model to analyze cutaneous microdialysis data....

  11. Quantization of the 2D effective gravity in the geometrical formulation

    International Nuclear Information System (INIS)

    Aoyama, S.

    1992-01-01

    There exist various formulations to discuss the 2d effective gravity: light-cone gauge formulation; geometrical formation; formulation by the constrained WZWN model; and conformal gauge formulation. In the formulations other than the last one, quantization of the 2d effective gravity is not complete in the sense that either the central charges of both sectors are not known, or one of them is known but not the other. In this paper, the authors will provide a thorough argument on quantization of the 2d effective gravity in the formulation. The argument will allow us to complete the quantization in the formation, and establish the relations among the formulations at the quantum level

  12. Continuous-release formulation for environmental doses to moving receptors

    International Nuclear Information System (INIS)

    Piepho, M.G.

    1981-01-01

    Atmospheric dispersion models frequently assume a puff release or several puff releases, each of which are described separately. A dispersion model should better describe a continuous release as more puffs are assumed, but the computational cost and bookkeeping difficulty increases with additional puffs. A new formulism is derived in this work which replaces the puff approximation. With the new continuous release formulation, radioactive dose calculations to moving receptors are more accurately calculated without any great additional computation. There are several advantages of a continuous release formulation. With this formulation, a dose rate to a moving receptor is calculated as a function of time. The dose-rate will increase (decrease) as the bulk of the release gets closer (farther) to (from) the receptor which is at position x(t), y(t). The receptor may follow any x, y trajectory as a function of time, and the dose rate will be calculated along the path

  13. Effect of new polyherbal formulations DF1911, DF2112 and DF2813 on CFA induced inflammation in rat model.

    Science.gov (United States)

    Nagarkar, Bhagyashri; Jagtap, Suresh

    2017-04-04

    Aim of the present study was to evaluate anti-inflammatory activity of newly developed polyherbal formulations DF1911, DF2112 and DF2813. These newly developed formulations are modifications of Dashamoola, a well known Ayurvedic formulation, along with addition of new plants. Complete Freund's adjuvant (CFA) induced inflammation in rat was used as an experimental model. Effects of the treatment in rats were monitored by physiological and biochemical parameters, histopathology and through gene expression studies. Diclofenac sodium showed maximum percentage inhibition (56.8 ± 3.5%) of paw edema followed by Dashamoola Kwatha (19.9 ± 1.8%). Among test formulations treated groups, DF1911 at 250 mg/kg bw (48.2 ± 5.4%, p CFA rats were normalized after treatment with test formulations. Results of serum markers and histopathological observations also supported the activity of formulations. Increased MDA levels in liver tissue of CFA injected animals significantly (p < 0.05) decreased by Diclofenac sodium and test formulation treated groups. DF1911, DF2112 and DF2813 showed down-regulation of IL1-β (~6.4-fold, ~5.2-fold and ~7.6-fold), IL-6 (~1.1-fold, ~1.6-fold and ~1.9-fold), TNF-α (~2.0-fold, ~4.6-fold and ~3.5-fold), and iNOS (~1.2-fold, ~1.8-fold and ~1.1-fold) in inflamed paw tissue compared to negative control group, respectively. The anti-inflammatory effects of DF1911 and DF2112 in rats were significantly higher than the Dashamoola Kwatha and are comparable to Diclofenac sodium.

  14. Realistic Material Appearance Modelling

    Czech Academy of Sciences Publication Activity Database

    Haindl, Michal; Filip, Jiří; Hatka, Martin

    2010-01-01

    Roč. 2010, č. 81 (2010), s. 13-14 ISSN 0926-4981 R&D Projects: GA ČR GA102/08/0593 Institutional research plan: CEZ:AV0Z10750506 Keywords : bidirectional texture function * texture modelling Subject RIV: BD - Theory of Information http:// library .utia.cas.cz/separaty/2010/RO/haindl-realistic material appearance modelling.pdf

  15. Device and materials modeling in PEM fuel cells

    CERN Document Server

    Promislow, Keith

    2009-01-01

    Device and Materials Modeling in PEM Fuel Cells is a specialized text that compiles the mathematical details and results of both device and materials modeling in a single volume. Proton exchange membrane (PEM) fuel cells will likely have an impact on our way of life similar to the integrated circuit. The potential applications range from the micron scale to large scale industrial production. Successful integration of PEM fuel cells into the mass market will require new materials and a deeper understanding of the balance required to maintain various operational states. This book contains articles from scientists who contribute to fuel cell models from both the materials and device perspectives. Topics such as catalyst layer performance and operation, reactor dynamics, macroscopic transport, and analytical models are covered under device modeling. Materials modeling include subjects relating to the membrane and the catalyst such as proton conduction, atomistic structural modeling, quantum molecular dynamics, an...

  16. Subchronic (26- and 52-week) toxicity and irritation studies of a novel microbicidal gel formulation containing sodium lauryl sulfate in animal models.

    Science.gov (United States)

    Piret, Jocelyne; Laforest, Geneviève; Bussières, Martin; Bergeron, Michel G

    2008-03-01

    The safety of an ethylene oxide/propylene oxide gel formulation containing sodium lauryl sulfate (2%, w/w), that could be a potent candidate as a topical microbicide, has been evaluated. More specifically, the subchronic (26- and 52-week) toxicity of the formulation when applied intravaginally as well as its irritating potential for the rectal, penile, eye, skin and buccal mucosa have been examined in animal models. The results showed that the vaginal administration of the gel formulation containing sodium lauryl sulfate once and twice daily (with doses 12 +/- 2 h apart) for 26 weeks to rats and for 52 weeks to rabbits induced slight to moderate histopathological alterations. When the formulation was applied intrarectally to male and female rabbits once and twice daily (with doses 12 +/- 2 h apart) for 14 days, no macroscopic or microscopic changes were reported. For both vaginal and rectal dosing, no effect was seen on the haematology, coagulation and serum chemistry parameters as well as on the body weight of animals and the relative organ weights. Other sporadic macroscopic and histopathological findings were incidental in origin and of no toxicological significance. The gel formulation containing sodium lauryl sulfate was considered as mildly irritating for the penile mucosa of rabbits, non-irritating for the eye of rabbits, mildly irritating for the skin in a rabbit model and non-irritating for the hamster cheek pouch. It is suggested that the gel formulation containing sodium lauryl sulfate is safe for most tissues that could be exposed to the product under normal use.

  17. Final Report. Baseline LAW Glass Formulation Testing, VSL-03R3460-1, Rev. 0

    Energy Technology Data Exchange (ETDEWEB)

    Muller, Isabelle S. [The Catholic University of America, Washington, DC (United States); Pegg, Ian L. [The Catholic University of America, Washington, DC (United States); Gan, Hao [The Catholic University of America, Washington, DC (United States); Buechele, Andrew [The Catholic University of America, Washington, DC (United States); Rielley, Elizabeth [The Catholic University of America, Washington, DC (United States); Bazemore, Gina [The Catholic University of America, Washington, DC (United States); Cecil, Richard [The Catholic University of America, Washington, DC (United States); Hight, Kenneth [The Catholic University of America, Washington, DC (United States); Mooers, Cavin [The Catholic University of America, Washington, DC (United States); Lai, Shan-Tao T. [The Catholic University of America, Washington, DC (United States); Kruger, Albert A. [The Catholic University of America, Washington, DC (United States)

    2015-06-18

    The major objective of the baseline glass formulation work was to develop and select glass formulations that are compliant with contractual and processing requirements for each of the LAW waste streams. Other objectives of the work included preparation and characterization of glasses with respect to the properties of interest, optimization of sulfate loading in the glasses, evaluation of ability to achieve waste loading limits, testing to demonstrate compatibility of glass melts with melter materials of construction, development of glass formulations to support ILAW qualification activities, and identification of glass formulation issues with respect to contract specifications and processing requirements.

  18. Materials and techniques for model construction

    Science.gov (United States)

    Wigley, D. A.

    1985-01-01

    The problems confronting the designer of models for cryogenic wind tunnel models are discussed with particular reference to the difficulties in obtaining appropriate data on the mechanical and physical properties of candidate materials and their fabrication technologies. The relationship between strength and toughness of alloys is discussed in the context of maximizing both and avoiding the problem of dimensional and microstructural instability. All major classes of materials used in model construction are considered in some detail and in the Appendix selected numerical data is given for the most relevant materials. The stepped-specimen program to investigate stress-induced dimensional changes in alloys is discussed in detail together with interpretation of the initial results. The methods used to bond model components are considered with particular reference to the selection of filler alloys and temperature cycles to avoid microstructural degradation and loss of mechanical properties.

  19. A continuous-discontinuous approach to simulate failure of quasi-brittle materials

    NARCIS (Netherlands)

    Moonen, P.; Sluys, L.J.; Carmeliet, J.

    2009-01-01

    A continuous-discontinuous approach to simulate failure is presented. The formulation covers both diffuse damage processes in the bulk material as well as the initiation and propagation of discrete cracks. Comparison with experimental data on layered sandstone shows that the modeling strategy

  20. Micromechanical modelling of heterogeneous materials in transient conditions: contributions for the study of the ageing of structural components under service

    International Nuclear Information System (INIS)

    Masson, R.

    2010-01-01

    The modelling of the mechanical behaviour of structural materials is increasingly based on microstructural parameters. Within this framework, homogenisation methods have the advantage of providing deductive methods which, starting from the properties and space distribution of each constituent, deduce the effective properties of the heterogeneous material. Nevertheless, many applications make still difficult the use of homogenisation methods. It is in particular the case of structural materials presenting elastic-viscoplastic behaviours and subjected to both non-monotone and ageing loadings. To progress on the treatment by homogenisation of these useful situations constitutes precisely the main idea of the various contributions presented in this work.For linear elasticity, new expressions for the computation of the Eshelby tensor are first of all established in order to improve the efficiency of homogenisation methods usually used. Always for linear behaviours but now viscoelastic, various approximations associated with the use of the theorem of correspondence are studied and compared. The equivalence of one of these approximations (the so-called 'collocation method') with an internal variables formulation of the effective behaviour is shown. This internal variables formulation leads to exact results in some situations and strongly simplifies the treatment of ageing linear viscoelastic behaviours. In the case of elastic-viscoplastic behaviours, is added to the previous difficulty (viscoelastic coupling) that of the treatment of nonlinear behaviour. Comparisons made between various families of estimates make it possible to determine the effects of the various approximations needed to deal with these nonlinearities. An improvement is also proposed and implemented in a particular case while the extension of this internal variable formulation to nonlinear behaviours is discussed. Finally, full-field computations of microstructures are also tackled by considering the

  1. Comparison of the antifungal efficacy of terbinafine hydrochloride and ciclopirox olamine containing formulations against the dermatophyte Trichophyton rubrum in an infected nail plate model.

    Science.gov (United States)

    Täuber, Anja; Müller-Goymann, Christel C

    2014-07-07

    Onychomycosis is a fungal infection mostly induced by dermatophytes such as Trichophyton rubrum. Due to slow nail growth, the treatment takes 3-9 months depending on the nail size and infected area. Hence, high efficacy of the active ingredient without systemic side effects is of major interest. To test the efficacy of an antifungal formulation, an appropriate in vitro model reflecting the in vivo situation as close as possible is required. In this study, a variety of antifungal formulations, i.e., commercial ones (Ciclopoli and Lamisil cream), those used in compounding pharmacies (Pentravan) as well as poloxamer 407-based systems, have been evaluated in an infected nail plate model. The active pharmaceutical ingredients (APIs) were ciclopirox olamine and terbinafine hydrochloride. The poloxamer 407-based formulations consisted of poloxamer 407, double distilled water, propylene glycol, isopropyl alcohol, medium chain triglycerides and either 1% ciclopirox olamine or 1% terbinafine hydrochloride as API, respectively. Former studies have shown high permeation rates of terbinafine hydrochloride from similar poloxamer 407-based formulations with dimethyl isosorbide instead of propylene glycol. The present contribution shows superior inhibition of T. rubrum growth from poloxamer 407-based formulations in comparison to the commercial Lamisil cream. Moreover, poloxamer 407-based formulations were equally effective as the nail lacquer Ciclopoli even though the poloxamer formulations contained only 1% of the drug instead of 8% in the marketed lacquer. Poloxamer 407-based systems containing ciclopirox olamine proved to be about as effective as similar terbinafine hydrochloride systems.

  2. Mathematical modelling of powder material motion and transportation in high-temperature flow core during plasma coatings application

    Science.gov (United States)

    Bogdanovich, V. I.; Giorbelidze, M. G.

    2018-03-01

    A problem of mathematical modelling of powder material motion and transportation in gas thermal flow core has been addressed. Undertaken studies indicate significant impact on dynamics of motion of sprayed particles of phenomenological law for drag coefficient and accounting momentum loss of a plasma jet upon acceleration of these particles and their diameter. It is determined that at great dispersion of spraying particles, they reach detail surface at different velocity and significant particles separation takes place at spraying spot. According to the results of mathematical modelling, requirements for admissible dispersion of diameters of particles used for spraying have been formulated. Research has also allowed reducing separation of particles at the spraying spot due to the selection of the method of powder feed to the anode channel of the plasma torch.

  3. Reliability analysis for cementless hip prosthesis using a new optimized formulation of yield stress against elasticity modulus relationship

    International Nuclear Information System (INIS)

    Kharmanda, G.

    2015-01-01

    Highlights: • We develop a new formulation between the yield stress and Young’s modulus of bone. • We validate the optimized formulation for cortical and trabecular bone. • We integrate the reliability analysis into artificially hip replacement design. - Abstract: Using classical design optimization methods for implant-bone studies does not completely guarantee a safety and satisfactory performance, due in part to the randomness of bone properties and loading. Here, the material properties of the different bone layers are considered as uncertain parameters. So their corresponding yield stress values will not be deterministic, that leads to integrate variable limitations into the optimization process. Here there is a strong need to find a reliable mathematical relationship between yield stress and material properties of the different bone layers. In this work, a new optimized formulation for yield stress against elasticity modulus relationship is first developed. This model is based on some experimental results. A validation of the proposed formulation is next carried out to show its accuracy for both bone layers (cortical and cancellous). A probabilistic sensitivity analysis is then carried out to show the role of each input parameter with respect to the limit state function. The new optimized formulation is next integrated into a reliability analysis problem in order to assess the reliability level of the stem–bone study where we deal with variable boundary limitations. An illustrative application is considered as a bi-dimensional example (contains only two variables) in order to present the results in an illustrative 2D space. Finally, a multi-variable problem considering several daily loading cases on a hip prosthesis shows the applicability of the proposed strategy

  4. Transient analysis of a thermal storage unit involving a phase change material

    Science.gov (United States)

    Griggs, E. I.; Pitts, D. R.; Humphries, W. R.

    1974-01-01

    The transient response of a single cell of a typical phase change material type thermal capacitor has been modeled using numerical conductive heat transfer techniques. The cell consists of a base plate, an insulated top, and two vertical walls (fins) forming a two-dimensional cavity filled with a phase change material. Both explicit and implicit numerical formulations are outlined. A mixed explicit-implicit scheme which treats the fin implicity while treating the phase change material explicitly is discussed. A band algorithmic scheme is used to reduce computer storage requirements for the implicit approach while retaining a relatively fine grid. All formulations are presented in dimensionless form thereby enabling application to geometrically similar problems. Typical parametric results are graphically presented for the case of melting with constant heat input to the base of the cell.

  5. An upscaled two-equation model of transport in porous media through unsteady-state closure of volume averaged formulations

    Science.gov (United States)

    Chaynikov, S.; Porta, G.; Riva, M.; Guadagnini, A.

    2012-04-01

    We focus on a theoretical analysis of nonreactive solute transport in porous media through the volume averaging technique. Darcy-scale transport models based on continuum formulations typically include large scale dispersive processes which are embedded in a pore-scale advection diffusion equation through a Fickian analogy. This formulation has been extensively questioned in the literature due to its inability to depict observed solute breakthrough curves in diverse settings, ranging from the laboratory to the field scales. The heterogeneity of the pore-scale velocity field is one of the key sources of uncertainties giving rise to anomalous (non-Fickian) dispersion in macro-scale porous systems. Some of the models which are employed to interpret observed non-Fickian solute behavior make use of a continuum formulation of the porous system which assumes a two-region description and includes a bimodal velocity distribution. A first class of these models comprises the so-called ''mobile-immobile'' conceptualization, where convective and dispersive transport mechanisms are considered to dominate within a high velocity region (mobile zone), while convective effects are neglected in a low velocity region (immobile zone). The mass exchange between these two regions is assumed to be controlled by a diffusive process and is macroscopically described by a first-order kinetic. An extension of these ideas is the two equation ''mobile-mobile'' model, where both transport mechanisms are taken into account in each region and a first-order mass exchange between regions is employed. Here, we provide an analytical derivation of two region "mobile-mobile" meso-scale models through a rigorous upscaling of the pore-scale advection diffusion equation. Among the available upscaling methodologies, we employ the Volume Averaging technique. In this approach, the heterogeneous porous medium is supposed to be pseudo-periodic, and can be represented through a (spatially) periodic unit cell

  6. A Method for Formulizing Disaster Evacuation Demand Curves Based on SI Model

    Directory of Open Access Journals (Sweden)

    Yulei Song

    2016-10-01

    Full Text Available The prediction of evacuation demand curves is a crucial step in the disaster evacuation plan making, which directly affects the performance of the disaster evacuation. In this paper, we discuss the factors influencing individual evacuation decision making (whether and when to leave and summarize them into four kinds: individual characteristics, social influence, geographic location, and warning degree. In the view of social contagion of decision making, a method based on Susceptible-Infective (SI model is proposed to formulize the disaster evacuation demand curves to address both social influence and other factors’ effects. The disaster event of the “Tianjin Explosions” is used as a case study to illustrate the modeling results influenced by the four factors and perform the sensitivity analyses of the key parameters of the model. Some interesting phenomena are found and discussed, which is meaningful for authorities to make specific evacuation plans. For example, due to the lower social influence in isolated communities, extra actions might be taken to accelerate evacuation process in those communities.

  7. Influence of humidity on the phase behavior of API/polymer formulations.

    Science.gov (United States)

    Prudic, Anke; Ji, Yuanhui; Luebbert, Christian; Sadowski, Gabriele

    2015-08-01

    Amorphous formulations of APIs in polymers tend to absorb water from the atmosphere. This absorption of water can induce API recrystallization, leading to reduced long-term stability during storage. In this work, the phase behavior of different formulations was investigated as a function of relative humidity. Indomethacin and naproxen were chosen as model APIs and poly(vinyl pyrrolidone) (PVP) and poly(vinyl pyrrolidone-co-vinyl acetate) (PVPVA64) as excipients. The formulations were prepared by spray drying. The water sorption in pure polymers and in formulations was measured at 25°C and at different values of relative humidity (RH=25%, 50% and 75%). Most water was absorbed in PVP-containing systems, and water sorption was decreasing with increasing API content. These trends could also be predicted in good agreement with the experimental data using the thermodynamic model PC-SAFT. Furthermore, the effect of absorbed water on API solubility in the polymer and on the glass-transition temperature of the formulations was predicted with PC-SAFT and the Gordon-Taylor equation, respectively. The absorbed water was found to significantly decrease the API solubility in the polymer as well as the glass-transition temperature of the formulation. Based on a quantitative modeling of the API/polymer phase diagrams as a function of relative humidity, appropriate API/polymer compositions can now be selected to ensure long-term stable amorphous formulations at given storage conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. A formulation of multidimensional growth models for the assessment and forecast of technology attributes

    Science.gov (United States)

    Danner, Travis W.

    Developing technology systems requires all manner of investment---engineering talent, prototypes, test facilities, and more. Even for simple design problems the investment can be substantial; for complex technology systems, the development costs can be staggering. The profitability of a corporation in a technology-driven industry is crucially dependent on maximizing the effectiveness of research and development investment. Decision-makers charged with allocation of this investment are forced to choose between the further evolution of existing technologies and the pursuit of revolutionary technologies. At risk on the one hand is excessive investment in an evolutionary technology which has only limited availability for further improvement. On the other hand, the pursuit of a revolutionary technology may mean abandoning momentum and the potential for substantial evolutionary improvement resulting from the years of accumulated knowledge. The informed answer to this question, evolutionary or revolutionary, requires knowledge of the expected rate of improvement and the potential a technology offers for further improvement. This research is dedicated to formulating the assessment and forecasting tools necessary to acquire this knowledge. The same physical laws and principles that enable the development and improvement of specific technologies also limit the ultimate capability of those technologies. Researchers have long used this concept as the foundation for modeling technological advancement through extrapolation by analogy to biological growth models. These models are employed to depict technology development as it asymptotically approaches limits established by the fundamental principles on which the technological approach is based. This has proven an effective and accurate approach to modeling and forecasting simple single-attribute technologies. With increased system complexity and the introduction of multiple system objectives, however, the usefulness of this

  9. Comparison of New Formulation of Diclofenac Diethylamonium Emulgel with Standard Preparation

    Directory of Open Access Journals (Sweden)

    SA Mostafavi

    2006-07-01

    Full Text Available Introduction & Objective: Oral route is a common route of administration for anti-inflammatory drugs including diclofenac. Due to some disadvantages of this route, the alternative routes of administrations are considered. The skin has been increasingly important in this regard, and many drugs have been formulated intradermal delivery systems. The purpose of this study was to prepare a topical diclofenac formulation emulgel with appropriate skin penetration and compare it with standard formulation. Materials & Methods: To prepare the formulation, we used the emulsion form. Several formulations containing different kinds and amounts of diclofenac salts, different emulsifying agents, and different HPMC concentrations were prepared. The skin penetration was evaluated by using Franz cell apparatus and the concentrations of diclofenac were determined in the receptor phase of Franz cell using spectrophotometer. The in vivo absorption of diclofenac was evaluated by determination of drug in urine. The concentration of drug was determined by HPLC. Results: In selected formulation, 85% of drug was released after 4 hours from formulation which was similar to drug released from standard formulation. The values of coefficient variation for HPLC method were utmost 15%. The range of variation in measurement was between 10 and 1000 ng/ml. Conclusion: The selected formulation had appropriate physicochemical properties. We were unable to measure drug concentrations in urine by the constructed HPLC, therefore it can be suggested that one should determine drug concentration in synovial fluid as the drug is concentrated in it.

  10. An improved interfacial bonding model for material interface modeling

    Science.gov (United States)

    Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

    2016-01-01

    An improved interfacial bonding model was proposed from potential function point of view to investigate interfacial interactions in polycrystalline materials. It characterizes both attractive and repulsive interfacial interactions and can be applied to model different material interfaces. The path dependence of work-of-separation study indicates that the transformation of separation work is smooth in normal and tangential direction and the proposed model guarantees the consistency of the cohesive constitutive model. The improved interfacial bonding model was verified through a simple compression test in a standard hexagonal structure. The error between analytical solutions and numerical results from the proposed model is reasonable in linear elastic region. Ultimately, we investigated the mechanical behavior of extrafibrillar matrix in bone and the simulation results agreed well with experimental observations of bone fracture. PMID:28584343

  11. Material modeling of biofilm mechanical properties.

    Science.gov (United States)

    Laspidou, C S; Spyrou, L A; Aravas, N; Rittmann, B E

    2014-05-01

    A biofilm material model and a procedure for numerical integration are developed in this article. They enable calculation of a composite Young's modulus that varies in the biofilm and evolves with deformation. The biofilm-material model makes it possible to introduce a modeling example, produced by the Unified Multi-Component Cellular Automaton model, into the general-purpose finite-element code ABAQUS. Compressive, tensile, and shear loads are imposed, and the way the biofilm mechanical properties evolve is assessed. Results show that the local values of Young's modulus increase under compressive loading, since compression results in the voids "closing," thus making the material stiffer. For the opposite reason, biofilm stiffness decreases when tensile loads are imposed. Furthermore, the biofilm is more compliant in shear than in compression or tension due to the how the elastic shear modulus relates to Young's modulus. Copyright © 2014 Elsevier Inc. All rights reserved.

  12. Novel Formulation of Adaptive MPC as EKF Using ANN Model: Multiproduct Semibatch Polymerization Reactor Case Study.

    Science.gov (United States)

    Kamesh, Reddi; Rani, Kalipatnapu Yamuna

    2017-12-01

    In this paper, a novel formulation for nonlinear model predictive control (MPC) has been proposed incorporating the extended Kalman filter (EKF) control concept using a purely data-driven artificial neural network (ANN) model based on measurements for supervisory control. The proposed scheme consists of two modules focusing on online parameter estimation based on past measurements and control estimation over control horizon based on minimizing the deviation of model output predictions from set points along the prediction horizon. An industrial case study for temperature control of a multiproduct semibatch polymerization reactor posed as a challenge problem has been considered as a test bed to apply the proposed ANN-EKFMPC strategy at supervisory level as a cascade control configuration along with proportional integral controller [ANN-EKFMPC with PI (ANN-EKFMPC-PI)]. The proposed approach is formulated incorporating all aspects of MPC including move suppression factor for control effort minimization and constraint-handling capability including terminal constraints. The nominal stability analysis and offset-free tracking capabilities of the proposed controller are proved. Its performance is evaluated by comparison with a standard MPC-based cascade control approach using the same adaptive ANN model. The ANN-EKFMPC-PI control configuration has shown better controller performance in terms of temperature tracking, smoother input profiles, as well as constraint-handling ability compared with the ANN-MPC with PI approach for two products in summer and winter. The proposed scheme is found to be versatile although it is based on a purely data-driven model with online parameter estimation.

  13. Coupled electrostatic-elastic analysis for topology optimization using material interpolation

    International Nuclear Information System (INIS)

    Alwan, A; Ananthasuresh, G K

    2006-01-01

    In this paper, we present a novel analytical formulation for the coupled partial differential equations governing electrostatically actuated constrained elastic structures of inhomogeneous material composition. We also present a computationally efficient numerical framework for solving the coupled equations over a reference domain with a fixed finiteelement mesh. This serves two purposes: (i) a series of problems with varying geometries and piece-wise homogeneous and/or inhomogeneous material distribution can be solved with a single pre-processing step (ii) topology optimization methods can be easily implemented by interpolating the material at each point in the reference domain from a void to a dielectric or a conductor. This is attained by considering the steady-state electrical current conduction equation with a 'leaky capacitor' model instead of the usual electrostatic equation. This formulation is amenable for both static and transient problems in the elastic domain coupled with the quasi-electrostatic electric field. The procedure is numerically implemented on the COMSOL Multiphysics (registered) platform using the weak variational form of the governing equations. Examples have been presented to show the accuracy and versatility of the scheme. The accuracy of the scheme is validated for the special case of piece-wise homogeneous material in the limit of the leaky-capacitor model approaching the ideal case

  14. Modelling of elasto-plastic material behaviour

    International Nuclear Information System (INIS)

    Halleux, J.P.

    1981-01-01

    The present report describes time-independent elasto-plastic material behaviour modelling techniques useful for implementation in fast structural dynamics computer programs. Elasto-plastic behaviour is characteristic for metallic materials such as steel and is thus of particular importance in the study of reactor safety-related problems. The classical time-independent elasto-plastic flow theory is recalled and the fundamental incremental stress-strain relationships are established for strain rate independent material behaviour. Some particular expressions useful in practice and including reversed loading are derived and suitable computational schemes are shwon. Modelling of strain rate effects is then taken into account, according to experimental data obtained from uniaxial tension tests. Finally qualitative strain rate history effects are considered. Applications are presented and illustrate both static and dynamic material behaviour

  15. rhBMP-2 (ACS and CRM formulations) overcomes pseudarthrosis in a New Zealand white rabbit posterolateral fusion model.

    Science.gov (United States)

    Lawrence, James P; Waked, Walid; Gillon, Thomas J; White, Andrew P; Spock, Christopher R; Biswas, Debdut; Rosenberger, Patricia; Troiano, Nancy; Albert, Todd J; Grauer, Jonathan N

    2007-05-15

    The study design consisted of a New Zealand white rabbit model of pseudarthrosis repair. Study groups consisting of no graft, autograft, or recombinant human bone morphogenetic protein-2 (rhBMP-2) with absorbable collagen sponge (ACS) or compression resistant matrix (CRM) were evaluated. To evaluate the relative efficacy of bone graft materials (autograft, ACS, and CRM). rhBMP-2 has been shown to have a 100% fusion rate in a primary rabbit fusion model, even in the presence of nicotine, which is known to inhibit fusion. Seventy-two New Zealand white rabbits underwent posterolateral lumbar fusion with iliac crest autograft. To establish pseudarthroses, nicotine was administered to all animals. At 5 weeks, the spines were explored and all pseudarthroses were redecorticated and implanted with no graft, autograft, rhBMP-2/ACS, or rhBMP-2/CRM. At 10 weeks, fusions were assessed by manual palpation and histology. Eight rabbits (11%) were lost to complications. At 5 weeks, 66 (97%) had pseudarthroses. At 10 weeks, attempted pseudarthrosis repairs were fused in 1 of 16 of no graft rabbits (6%), 5 of 17 autograft rabbits (29%), and 31 of 31 rhBMP-2 rabbits (with ACS or CRM) (100%). Histologic analysis demonstrated more mature bone formation in the rhBMP-2 groups. The 2 rhBMP-2 formulations led to significantly higher fusion rates and histologic bone formation than no graft and autograft controls in this pseudarthrosis repair model.

  16. Thermomechanics of solid materials with application to the Gurson-Tvergaard material model

    Energy Technology Data Exchange (ETDEWEB)

    Santaoja, K. [VTT Manufacturing Technology, Espoo (Finland). Materials and Structural Integrity

    1997-12-31

    The elastic-plastic material model for porous material proposed by Gurson and Tvergaard is evaluated. First a general description is given of constitutive equations for solid materials by thermomechanics with internal variables. The role and definition of internal variables are briefly discussed and the following definition is given: The independent variables present (possibly hidden) in the basic laws for thermomechanics are called controllable variables. The other independent variables are called internal variables. An internal variable is shown always to be a state variable. This work shows that if the specific dissipation function is a homogeneous function of degree one in the fluxes, a description for a time-independent process is obtained. When damage to materials is evaluated, usually a scalar-valued or tensorial variable called damage is introduced in the set of internal variables. A problem arises when determining the relationship between physically observable weakening of the material and the value for damage. Here a more feasible approach is used. Instead of damage, the void volume fraction is inserted into the set of internal variables. This allows use of an analytical equation for description of the mechanical weakening of the material. An extension to the material model proposed by Gurson and modified by Tvergaard is derived. The derivation is based on results obtained by thermomechanics and damage mechanics. The main difference between the original Gurson-Tvergaard material model and the extended one lies in the definition of the internal variable `equivalent tensile flow stress in the matrix material` denoted by {sigma}{sup M}. Using classical plasticity theory, Tvergaard elegantly derived an evolution equation for {sigma}{sup M}. This is not necessary in the present model, since damage mechanics gives an analytical equation between the stress tensor {sigma} and {sigma}M. Investigation of the Clausius-Duhem inequality shows that in compression

  17. Thermomechanics of solid materials with application to the Gurson-Tvergaard material model

    International Nuclear Information System (INIS)

    Santaoja, K.

    1997-01-01

    The elastic-plastic material model for porous material proposed by Gurson and Tvergaard is evaluated. First a general description is given of constitutive equations for solid materials by thermomechanics with internal variables. The role and definition of internal variables are briefly discussed and the following definition is given: The independent variables present (possibly hidden) in the basic laws for thermomechanics are called controllable variables. The other independent variables are called internal variables. An internal variable is shown always to be a state variable. This work shows that if the specific dissipation function is a homogeneous function of degree one in the fluxes, a description for a time-independent process is obtained. When damage to materials is evaluated, usually a scalar-valued or tensorial variable called damage is introduced in the set of internal variables. A problem arises when determining the relationship between physically observable weakening of the material and the value for damage. Here a more feasible approach is used. Instead of damage, the void volume fraction is inserted into the set of internal variables. This allows use of an analytical equation for description of the mechanical weakening of the material. An extension to the material model proposed by Gurson and modified by Tvergaard is derived. The derivation is based on results obtained by thermomechanics and damage mechanics. The main difference between the original Gurson-Tvergaard material model and the extended one lies in the definition of the internal variable 'equivalent tensile flow stress in the matrix material' denoted by σ M . Using classical plasticity theory, Tvergaard elegantly derived an evolution equation for σ M . This is not necessary in the present model, since damage mechanics gives an analytical equation between the stress tensor σ and σM. Investigation of the Clausius-Duhem inequality shows that in compression, states occur which are not

  18. An Investigation of Optimum NLC-Sunscreen Formulation Using Taguchi Analysis

    Directory of Open Access Journals (Sweden)

    Pao Chi Chen

    2013-01-01

    Full Text Available This study used three kinds of wax and three kinds of oil, with fixed mixture ratio including UV-blocking materials of ethylhexyl methoxycinnamate, oxybenzone, and avobenzone, and applied hot high-pressure homogenization process to prepare nanolipid sunscreen formulations. The measured particle size of the sunscreen formulations was 100~300 nm around PDI of 0.2 having a moderate polydisperse system. The distribution of zeta potential was −50 mV to −35 mV, showing a stable system. The UV light-absorbing range of 9 groups of sunscreen formulations was 275 nm~380 nm ranging within UVA and UVB. The rheological analysis found that the viscosity change is shear, thinning exhibiting colloid behavior. Taguchi analysis found that the optimum combinations are the carnauba wax and the blackcurrant oil combination for crystallinity and the beeswax and CPG oil for UV absorption. In addition, UV-blocking ability shows that the SPF was 51.5 and PFA was three stars for SU9 formulation. Finally, the effect of temperature on the properties of sunscreen formulations was also explored.

  19. Evaluating the predictability of the in vitro transfer model and in vivo rat studies as a surrogate to investigate the supersaturation and precipitation behaviour of different Albendazole formulations for humans.

    Science.gov (United States)

    Ruff, Aaron; Holm, René; Kostewicz, Edmund S

    2017-07-15

    The present study investigated the ability of the in vitro transfer model and an in vivo pharmacokinetic study in rats to investigate the supersaturation and precipitation behaviour of albendazole (ABZ) relative to data from a human intestinal aspiration study reported in the literature. Two lipid based formulation systems, a hydroxypropyl-β-cyclodextrin (HPβCD) solution and the addition of a crystallization inhibitor (HPMC-E5) on the behaviour of ABZ was investigated. These formulations were investigated to represent differences in their ability to facilitate supersaturation within the small intestine. Overall, both the in vitro transfer model and the in vivo rat study were able to rank order the formulations (as aqueous suspension±HPMCformulationsmodel and the in vitro transfer model could reflect the performance of the ABZ formulations in the human study. Whilst the rat was able to provide information on the overall plasma exposure, through the use of the in vitro transfer model, a more mechanistic understanding of the supersaturation and precipitation behaviour of ABZ using the different formulation strategies, could be attained. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Application of gamma irradiation for incorporation of rubber powder in the formulations

    International Nuclear Information System (INIS)

    Kiyan, Ludmila Y.P.; Lugao, Ademar B.; Parra, Duclerc F.; Zaharescu, Traian

    2013-01-01

    The aim of this paper was to study the behavior of rubber recycle, in powder form of rubber industry. It was used EPDM rubber powder. The rubber powder was irradiated and used directly in classical formulations of rubber vulcanizate. The master-batch processed material was irradiated at doses of 50, 100 and 150kGy in 60 Co source at 5kGy s -1 rate, at room temperature. Gamma radiation created active sites devulcanization for further integration of the material (rubber powder) with facilities in formulations of commercial use. The processes were compared and their products were characterized by analytical methods of the physical properties such as tensile strength, elongation, hardness, rheology and abrasion tests. (author)

  1. Validation of flexible multibody dynamics beam formulations using benchmark problems

    NARCIS (Netherlands)

    Bauchau, O.A.; Wu, Genyong; Betsch, P.; Cardona, A.; Gerstmayr, J.; Jonker, Jan B.; Masarati, P.; Sonneville, V.

    2016-01-01

    As the need to model flexibility arose in multibody dynamics, the floating frame of reference formulation was developed, but this approach can yield inaccurate results when elastic displacements becomes large. While the use of three-dimensional finite element formulations overcomes this problem, the

  2. Design, formulation and evaluation of Aloe vera chewing gum

    Science.gov (United States)

    Aslani, Abolfazl; Ghannadi, Alireza; Raddanipour, Razieh

    2015-01-01

    Background: Aloe vera has antioxidant, antiinflammatory, healing, antiseptic, anticancer and antidiabetic effects. The aim of the present study was to design and evaluate the formulation of Aloe vera chewing gum with an appropriate taste and quality with the indications for healing oral wounds, such as lichen planus, mouth sores caused by cancer chemotherapy and mouth abscesses as well as reducing mouth dryness caused by chemotherapy. Materials and Methods: In Aloe vera powder, the carbohydrate content was determined according to mannose and phenolic compounds in terms of gallic acid. Aloe vera powder, sugar, liquid glucose, glycerin, sweeteners and different flavors were added to the soft gum bases. In Aloe vera chewing gum formulation, 10% of dried Aloe vera extract entered the gum base. Then the chewing gum was cut into pieces of suitable sizes. Weight uniformity, content uniformity, the organoleptic properties evaluation, releasing the active ingredient in the phosphate buffer (pH, 6.8) and taste evaluation were examined by Latin square method. Results: One gram of Aloe vera powder contained 5.16 ± 0.25 mg/g of phenolic compounds and 104.63 ± 4.72 mg/g of carbohydrates. After making 16 Aloe vera chewing gum formulations, the F16 formulation was selected as the best formulation according to its physicochemical and organoleptic properties. In fact F16 formulation has suitable hardness, lack of adhesion to the tooth and appropriate size and taste; and after 30 min, it released more than 90% of its drug content. Conclusion: After assessments made, the F16 formulation with maltitol, aspartame and sugar sweeteners was selected as the best formulation. Among various flavors used, peppermint flavor which had the most acceptance between consumers was selected. PMID:26605214

  3. Calibration of SMA material model for the prediction of the ‘evolutionary’ load-bias behavior under conditions of extended thermal cycling

    International Nuclear Information System (INIS)

    Saleeb, A F; Dhakal, B; Padula II, S A; Gaydosh, D J

    2013-01-01

    This work is focused on the characterization of the cyclic response of the 55NiTi polycrystalline material system using a recently formulated, multimechanism-based, modeling framework. It has a number of significant contributions. First, it presents a comprehensive characterization of such a complex material system under broad thermo-mechanical loading conditions in isobaric experiments that cover: (a) the entire relevant stress range from 10 to 300 MPa, and (b) sufficient number of thermal cycles to enable the investigation of the details of the evolution of the cyclic strain-versus-temperature hysteresis loops. Second, the detailed comparisons presented for the model results and the experimental measurements provide the necessary validation of the modeling capabilities of the multimechanism framework. Third, specific plots are given detailing the variations with thermal cycling of the internal variables associated with each of the individual inelastic mechanisms. Fourth, an anatomical discussion details the interplay between the internal mechanisms to describe the material behavior within all the important response characteristic regions, thus providing a convenient means to complement the theoretical concepts in the mathematical approach. Given the comprehensive nature of this model, and its successful experimental validation under a wide range of conditions, it is believed that the model is capable of analyzing 55NiTi actuators. It is also emphasized that the insights provided in this work will carry forth to characterization of other SMA material systems. (paper)

  4. Differential geometry based solvation model II: Lagrangian formulation.

    Science.gov (United States)

    Chen, Zhan; Baker, Nathan A; Wei, G W

    2011-12-01

    Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation models. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The optimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and PB equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of

  5. Model-to-model interface for multiscale materials modeling

    Energy Technology Data Exchange (ETDEWEB)

    Antonelli, Perry Edward [Iowa State Univ., Ames, IA (United States)

    2017-12-17

    A low-level model-to-model interface is presented that will enable independent models to be linked into an integrated system of models. The interface is based on a standard set of functions that contain appropriate export and import schemas that enable models to be linked with no changes to the models themselves. These ideas are presented in the context of a specific multiscale material problem that couples atomistic-based molecular dynamics calculations to continuum calculations of fluid ow. These simulations will be used to examine the influence of interactions of the fluid with an adjacent solid on the fluid ow. The interface will also be examined by adding it to an already existing modeling code, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and comparing it with our own molecular dynamics code.

  6. Gas chromatographic determination of bifenthrin in technical and selected formulated products: collaborative study.

    Science.gov (United States)

    Kikta, Edward J

    2011-01-01

    A GC method for the analysis of technical and formulated bifenthrin samples was evaluated in a collaborative study. Bifenthrin is determined by using a 50% (trifluoropropyl)-methylpolysiloxane wide-bore capillary column and flame ionization detector. Ten samples, consisting of four formulations and a technical material were analyzed by 12 collaborators using Youden pairs. The four formulation types included in this study were microemulsion (ME), wettable powder (WP), suspension concentrate (SC), and emulsifiable concentrate (EC). Variability in the analysis of two of the formulation types, SC and EC, was later found to be due to the noncommercial containers used to hold the test samples. Because of this, valid data could not be obtained for the EC and SC. For the two formulations for which valid data could be obtained, ME and WP, and the technical chemical, accuracy and variability results are typical of large data sets. For the technical chemical and the two formulations for which valid data were obtained, Official First Action is recommended.

  7. Fish consumption and track to a fish feed formulation

    Science.gov (United States)

    Cai-Juan, Soong; Ramli, Razamin; Rahman, Rosshairy Abdul

    2015-12-01

    Strategically located in the equator, Malaysia is blessed with plenty of fish supply. The high demand in fish consumption has helped the development in the fishery industry and provided numerous jobs in the secondary sector, contributing significantly to the nation's income. A survey was conducted to understand the trend of current demands for fish for the purpose of designing a feed formulation, which is still limited in this area of study. Results showed that grouper fish in restaurants commanded a very high price compared to other species of fish. Tiger grouper gained the highest demand in most restaurants, while giant grouper had the highest price in restaurants. Due to the demand and challenges to culture this type of fish, a framework for fish feed formulation is proposed. The formulation framework when materialized could be an alternative to the use of trash fish as the feed for grouper.

  8. Evaluation of the potential of waste fondant glass in formulations of ceramic pasta

    International Nuclear Information System (INIS)

    Soares Filho, J.E.; Santos, L.L. dos; Nascimento, R.M. do; Feitosa, A.O.; Dutra, R.P.S.

    2014-01-01

    An increasing amount of waste generated and deposited on the environment, many unspecified decomposition with time, as is the case of the glass. Thinking about it, the purpose of this study is to evaluate the power of the flux residue on glass formulations porcelains, as a flux to feldspar replacement. This study was performed in comparison with a standard formulation. The raw materials were characterized in the diffraction X-ray fluorescence and X-ray thermal differential analysis, and determination of the technological properties of water absorption, linear contraction, ignition loss, apparent porosity and apparent specific gravity in the formulation standard and replacement of feldspar in different percentages of waste and processing conditions. Specimens of the formulations were subjected to assay of three points. Results indicate that the residue glass has the potential of being used as a flux material in the composition of the ceramic body reduces the apparent porosity and according to the technology of water absorption property. The ceramic mass standard was classified as semi-stoneware, the BIIa group, and after the addition of the residue in any of the three percentages evaluated was classified as sandstone, belonging to the group BIb.(author)

  9. Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

    Science.gov (United States)

    Minier, Jean-Pierre; Chibbaro, Sergio; Pope, Stephen B.

    2014-11-01

    In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangian stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future

  10. Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

    International Nuclear Information System (INIS)

    Minier, Jean-Pierre; Chibbaro, Sergio; Pope, Stephen B.

    2014-01-01

    In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangian stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future

  11. Ether formulations of relativity

    International Nuclear Information System (INIS)

    Duffy, M.C.

    1980-01-01

    Contemporary ether theories are surveyed and criticised, especially those formally identical to orthodox Relativity. The historical development of Relativity, Special and General, in terms of an ether, is briefly indicated. Classical interpretations of Generalized Relativity using ether are compared to Euclidean formulations using a background space. The history of a sub-group of theories, formulating a 'new' Relativity involving modified transforms, is outlined. According to the theory with which they agree, recent supposed detections of drift are classified and criticised. Cosmological evidence suggesting an ether is mentioned. Only ether theories formally identical to Relativity have been published in depth. They stand criticised as being contrary to the positivist spirit. The history of mechanical analogues is traced, from Hartley's representing gravitating matter as spherical standing waves, to recent suggestions that vortex-sponge might model electromagnetic, quantum, uncertainty and faster-than-light phenomena. Contemporary theories are particular physical theories, themselves 'second interpretations' of a primary mathematical model. Mechanical analogues are auxiliary, not necessary, to other theory, disclosing relationships between classical and non-classical descriptions of assemblies charging state. The ether-relativity polemic, part of a broader dispute about relativity, is founded on mistaken conceptions of the roles of mathematical and physical models, mechanical analogues; and a distored view of history, which indicates that ether theories have become relativistic. (author)

  12. Timoshenko beam model for chiral materials

    Science.gov (United States)

    Ma, T. Y.; Wang, Y. N.; Yuan, L.; Wang, J. S.; Qin, Q. H.

    2018-06-01

    Natural and artificial chiral materials such as deoxyribonucleic acid (DNA), chromatin fibers, flagellar filaments, chiral nanotubes, and chiral lattice materials widely exist. Due to the chirality of intricately helical or twisted microstructures, such materials hold great promise for use in diverse applications in smart sensors and actuators, force probes in biomedical engineering, structural elements for absorption of microwaves and elastic waves, etc. In this paper, a Timoshenko beam model for chiral materials is developed based on noncentrosymmetric micropolar elasticity theory. The governing equations and boundary conditions for a chiral beam problem are derived using the variational method and Hamilton's principle. The static bending and free vibration problem of a chiral beam are investigated using the proposed model. It is found that chirality can significantly affect the mechanical behavior of beams, making materials more flexible compared with nonchiral counterparts, inducing coupled twisting deformation, relatively larger deflection, and lower natural frequency. This study is helpful not only for understanding the mechanical behavior of chiral materials such as DNA and chromatin fibers and characterizing their mechanical properties, but also for the design of hierarchically structured chiral materials.

  13. Systematic Equation Formulation

    DEFF Research Database (Denmark)

    Lindberg, Erik

    2007-01-01

    A tutorial giving a very simple introduction to the set-up of the equations used as a model for an electrical/electronic circuit. The aim is to find a method which is as simple and general as possible with respect to implementation in a computer program. The “Modified Nodal Approach”, MNA, and th......, and the “Controlled Source Approach”, CSA, for systematic equation formulation are investigated. It is suggested that the kernel of the P Spice program based on MNA is reprogrammed....

  14. A numerical formulation using unstructured grids for modeling two-phase flows in porous media considering heterogeneities and capillarity effects

    International Nuclear Information System (INIS)

    Hurtado, F.S.V.; Maliska, C.R.

    2005-01-01

    This paper briefly describes a two-dimensional numerical formulation using unstructured grids, developed for simulating two-phase immiscible displacements in porous media. The Element-based Finite Volume Method (EbFVM) is used for discretizing the model differential equations. (authors)

  15. A numerical formulation using unstructured grids for modeling two-phase flows in porous media considering heterogeneities and capillarity effects

    Energy Technology Data Exchange (ETDEWEB)

    Hurtado, F.S.V.; Maliska, C.R. [Santa Catarina Federal Univ., Computational Fluid Dynamics Lab., Mechanical Engineering Dept., Florianopolis, SC (Brazil)

    2005-07-01

    This paper briefly describes a two-dimensional numerical formulation using unstructured grids, developed for simulating two-phase immiscible displacements in porous media. The Element-based Finite Volume Method (EbFVM) is used for discretizing the model differential equations. (authors)

  16. Estimation of transversely isotropic material properties from magnetic resonance elastography using the optimised virtual fields method.

    Science.gov (United States)

    Miller, Renee; Kolipaka, Arunark; Nash, Martyn P; Young, Alistair A

    2018-03-12

    Magnetic resonance elastography (MRE) has been used to estimate isotropic myocardial stiffness. However, anisotropic stiffness estimates may give insight into structural changes that occur in the myocardium as a result of pathologies such as diastolic heart failure. The virtual fields method (VFM) has been proposed for estimating material stiffness from image data. This study applied the optimised VFM to identify transversely isotropic material properties from both simulated harmonic displacements in a left ventricular (LV) model with a fibre field measured from histology as well as isotropic phantom MRE data. Two material model formulations were implemented, estimating either 3 or 5 material properties. The 3-parameter formulation writes the transversely isotropic constitutive relation in a way that dissociates the bulk modulus from other parameters. Accurate identification of transversely isotropic material properties in the LV model was shown to be dependent on the loading condition applied, amount of Gaussian noise in the signal, and frequency of excitation. Parameter sensitivity values showed that shear moduli are less sensitive to noise than the other parameters. This preliminary investigation showed the feasibility and limitations of using the VFM to identify transversely isotropic material properties from MRE images of a phantom as well as simulated harmonic displacements in an LV geometry. Copyright © 2018 John Wiley & Sons, Ltd.

  17. Finite-element formulations for the thermal stress analysis of two- and three-dimensional thin ractor structures

    International Nuclear Information System (INIS)

    Kulak, R.F.; Kennedy, J.M.; Belytschko, T.B.; Schoeberle, D.F.

    1977-01-01

    This paper describes finite-element formulations for the thermal stress analysis of LMFBR structures. The first formulation is applicable to large displacement rotation problems in which the strains are small. For this formulation, a general temperature-dependent constituent relationship is derived from a Gibbs potential function and a temperature dependent yield surface. The temperature dependency of the yield surface is based upon a temperature-dependent, material-hardening model. The model uses a temperature-equivalent stress-plastic strain diagram which is generated from isothermal uniaxial stress-strain data. A second formulation is presented for problems characterized by both large displacement-rotations and large strains. Here a set of large strain hypoelastic-plastic relationships are developed to linearly relate the rate of stress to the rate of deformation. The temperature field is described through time-dependent values at mesh node points; the temperature fields in each element are then obtained by interpolation formulas. Hence, problems with both spatial and temporal dependent temperature fields can easily be treated. The above developments were incorporated into two ANL developed finite-element computer codes: the implicit version of STRAW and the 3D Implicit Structural Analysis Code. STRAW is a two-dimensional code with a plane stress/plane strain beam element. The 3D Implicit code has a triangular flat plate element which is capable of sustaining both membrane and bending loads. To insure numerical stability both codes are based on an iterative-incremental solution procedure with equilibrium checks based on an error in energy

  18. FORMULATION AND EVALUATION OF A HERBAL SHAMPOO

    OpenAIRE

    Gouri Kumar Dash* and Noor Husna Nazirah Binti A. Razak

    2017-01-01

    The study was aimed at formulating and evaluating a complete herbal shampoo containing only traditionally used plant materials. The shampoo contained extracts of Hibiscus rosa-sinensis, Azadirachta indica, Trigonella foenumgraecum, Phyllanthus emblica, Sapindus mukorossi, Acacia concinna and fresh juice of Aloe vera. The physicochemical parameters such as colour, clarity, pH, skin irritation, percentage of solid contents, dirt dispersion, foaming ability and foam stability, wetting time and c...

  19. Modeling ready biodegradability of fragrance materials.

    Science.gov (United States)

    Ceriani, Lidia; Papa, Ester; Kovarich, Simona; Boethling, Robert; Gramatica, Paola

    2015-06-01

    In the present study, quantitative structure activity relationships were developed for predicting ready biodegradability of approximately 200 heterogeneous fragrance materials. Two classification methods, classification and regression tree (CART) and k-nearest neighbors (kNN), were applied to perform the modeling. The models were validated with multiple external prediction sets, and the structural applicability domain was verified by the leverage approach. The best models had good sensitivity (internal ≥80%; external ≥68%), specificity (internal ≥80%; external 73%), and overall accuracy (≥75%). Results from the comparison with BIOWIN global models, based on group contribution method, show that specific models developed in the present study perform better in prediction than BIOWIN6, in particular for the correct classification of not readily biodegradable fragrance materials. © 2015 SETAC.

  20. Shape interior modeling and mass property optimization using ray-reps

    DEFF Research Database (Denmark)

    Wu, Jun; Kramer, Lou; Westermann, Rüdiger

    2016-01-01

    , and prove this parametrization covers the optimal interior regarding static and rotational stability criteria. This compact formulation thoroughly reduces the number of design variables compared to the general volumetric element-wise formulation. We demonstrate the effectiveness of our reduced formulation......We present a novel method for the modeling and optimization of the material distribution inside 3D shapes, such that their 3D printed replicas satisfy prescribed constraints regarding mass properties. In particular, we introduce an extension of ray-representation to shape interior modeling...

  1. Final report for SERDP WP-2209 Replacement melt-castable formulations for Composition B

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, Philip [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Francois, Elizabeth Green [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-05-19

    During this project we investigated a number of energetic materials both old and new and determined that most of them were unsuitable due to safety or sensitivity reasons. Unsuccessful coformulants include TNAZ and BNFF for volatility reasons, and DAAF due to thermal compatibility issues. The powerful explosive HMX became a focus of the work in later stages as it conferred excellent power while being commonly available in well-regulated particle size lots and is chemically compatible in the melt with many coformulants. Ultimately three preferred formulations emerged from this work: a formulation tested on large scale by ARDEC involving PrNQ and HMX; a formulation tested at ARDEC and LANL using a nitrate salt eutectic and HMX; a formulation tested at LANL using LLM-201 and HMX.

  2. Accurate nonlinear modeling for flexible manipulators using mixed finite element formulation in order to obtain maximum allowable load

    Energy Technology Data Exchange (ETDEWEB)

    Esfandiar, Habib; KoraYem, Moharam Habibnejad [Islamic Azad University, Tehran (Iran, Islamic Republic of)

    2015-09-15

    In this study, the researchers try to examine nonlinear dynamic analysis and determine Dynamic load carrying capacity (DLCC) in flexible manipulators. Manipulator modeling is based on Timoshenko beam theory (TBT) considering the effects of shear and rotational inertia. To get rid of the risk of shear locking, a new procedure is presented based on mixed finite element formulation. In the method proposed, shear deformation is free from the risk of shear locking and independent of the number of integration points along the element axis. Dynamic modeling of manipulators will be done by taking into account small and large deformation models and using extended Hamilton method. System motion equations are obtained by using nonlinear relationship between displacements-strain and 2nd PiolaKirchoff stress tensor. In addition, a comprehensive formulation will be developed to calculate DLCC of the flexible manipulators during the path determined considering the constraints end effector accuracy, maximum torque in motors and maximum stress in manipulators. Simulation studies are conducted to evaluate the efficiency of the method proposed taking two-link flexible and fixed base manipulators for linear and circular paths into consideration. Experimental results are also provided to validate the theoretical model. The findings represent the efficiency and appropriate performance of the method proposed.

  3. Accurate nonlinear modeling for flexible manipulators using mixed finite element formulation in order to obtain maximum allowable load

    International Nuclear Information System (INIS)

    Esfandiar, Habib; KoraYem, Moharam Habibnejad

    2015-01-01

    In this study, the researchers try to examine nonlinear dynamic analysis and determine Dynamic load carrying capacity (DLCC) in flexible manipulators. Manipulator modeling is based on Timoshenko beam theory (TBT) considering the effects of shear and rotational inertia. To get rid of the risk of shear locking, a new procedure is presented based on mixed finite element formulation. In the method proposed, shear deformation is free from the risk of shear locking and independent of the number of integration points along the element axis. Dynamic modeling of manipulators will be done by taking into account small and large deformation models and using extended Hamilton method. System motion equations are obtained by using nonlinear relationship between displacements-strain and 2nd PiolaKirchoff stress tensor. In addition, a comprehensive formulation will be developed to calculate DLCC of the flexible manipulators during the path determined considering the constraints end effector accuracy, maximum torque in motors and maximum stress in manipulators. Simulation studies are conducted to evaluate the efficiency of the method proposed taking two-link flexible and fixed base manipulators for linear and circular paths into consideration. Experimental results are also provided to validate the theoretical model. The findings represent the efficiency and appropriate performance of the method proposed.

  4. Nonlinear consider covariance analysis using a sigma-point filter formulation

    Science.gov (United States)

    Lisano, Michael E.

    2006-01-01

    The research reported here extends the mathematical formulation of nonlinear, sigma-point estimators to enable consider covariance analysis for dynamical systems. This paper presents a novel sigma-point consider filter algorithm, for consider-parameterized nonlinear estimation, following the unscented Kalman filter (UKF) variation on the sigma-point filter formulation, which requires no partial derivatives of dynamics models or measurement models with respect to the parameter list. It is shown that, consistent with the attributes of sigma-point estimators, a consider-parameterized sigma-point estimator can be developed entirely without requiring the derivation of any partial-derivative matrices related to the dynamical system, the measurements, or the considered parameters, which appears to be an advantage over the formulation of a linear-theory sequential consider estimator. It is also demonstrated that a consider covariance analysis performed with this 'partial-derivative-free' formulation yields equivalent results to the linear-theory consider filter, for purely linear problems.

  5. Micro-Scale Experiments and Models for Composite Materials with Materials Research

    DEFF Research Database (Denmark)

    Zike, Sanita

    Numerical models are frequently implemented to study micro-mechanical processes in polymer/fibre composites. To ensure that these models are accurate, the length scale dependent properties of the fibre and polymer matrix have to be taken into account. Most often this is not the case, and material...... properties acquired at macro-scale are used for micro-mechanical models. This is because material properties at the macro-scale are much more available and the test procedures to obtain them are well defined. The aim of this research was to find methods to extract the micro-mechanical properties of the epoxy...... resin used in polymer/fibre composites for wind turbine blades combining experimental, numerical, and analytical approaches. Experimentally, in order to mimic the stress state created by a void in a bulk material, test samples with finite root radii were made and subjected to a double cantilever beam...

  6. Revival of the Deser-Woodard nonlocal gravity model: Comparison of the original nonlocal form and a localized formulation

    Science.gov (United States)

    Park, Sohyun

    2018-02-01

    We examine the origin of two opposite results for the growth of perturbations in the Deser-Woodard (DW) nonlocal gravity model. One group previously analyzed the model in its original nonlocal form and showed that the growth of structure in the DW model is enhanced compared to general relativity (GR) and thus concluded that the model was ruled out. Recently, however, another group has reanalyzed it by localizing the model and found that the growth in their localized version is suppressed even compared to the one in GR. The question was whether the discrepancy originates from an intrinsic difference between the nonlocal and localized formulations or is due to their different implementations of the subhorizon limit. We show that the nonlocal and local formulations give the same solutions for the linear perturbations as long as the initial conditions are set the same. The different implementations of the subhorizon limit lead to different transient behaviors of some perturbation variables; however, they do not affect the growth of matter perturbations at the sub-horizon scale much. In the meantime, we also report an error in the numerical calculation code of the former group and verify that after fixing the error the nonlocal version also gives the suppressed growth. Finally, we discuss two alternative definitions of the effective gravitational constant taken by the two groups and some open problems.

  7. Development of grout formulations for 106-AN waste: Mixture-experiment results and analysis

    International Nuclear Information System (INIS)

    Spence, R.D.; McDaniel, E.W.; Anderson, C.M.; Lokken, R.O.; Piepel, G.F.

    1993-09-01

    Twenty potential ingredients were identified for use in developing a 106-AN grout formulation, and 18 were subsequently obtained and tested. Four ingredients-Type II-LA (moderate heat of hydration) Portland cement, Class F fly ash, attapulgite 150 drilling clay, and ground air-cooled blast-furnace slag (GABFS) were selected for developing the 106-AN grout formulations. A mixture experiment was designed and conducted around the following formulation: 2.5 lb of cement per gallon, 1.2 lb of fly ash per gallon, 0.8 lb of attapulgite per gallon, and 3.5 lb of GABFS per gallon. Reduced empirical models were generated from the results of the mixture experiment. These models were used to recommend several grout formulations for 106-AN. Westinghouse Hanford Company selected one of these formulations to be verified for use with 106-AN and a backup formulation in case problems arise with the first choice

  8. Adrenaline (epinephrine) microcrystal sublingual tablet formulation: enhanced absorption in a preclinical model.

    Science.gov (United States)

    Rawas-Qalaji, Mutasem; Rachid, Ousama; Mendez, Belacryst A; Losada, Annette; Simons, F Estelle R; Simons, Keith J

    2015-01-01

    For anaphylaxis treatment in community settings, adrenaline (epinephrine) administration using an auto-injector in the thigh is universally recommended. Despite this, many people at risk of anaphylaxis in community settings do not carry their prescribed auto-injectors consistently and hesitate to use them when anaphylaxis occurs.The objective of this research was to study the effect of a substantial reduction in adrenaline (Epi) particle size to a few micrometres (Epi microcrystals (Epi-MC)) on enhancing adrenaline dissolution and increasing the rate and extent of sublingual absorption from a previously developed rapidly disintegrating sublingual tablet (RDST) formulation in a validated preclinical model. The in-vivo absorption of Epi-MC 20 mg RDSTs and Epi 40 mg RDSTs was evaluated in rabbits. Epi 0.3 mg intramuscular (IM) injection in the thigh and placebo RDSTs were used as positive and negative controls, respectively. Epimean (standard deviation) area under the plasma concentration vs time curves up to 60 min and Cmax from Epi-MC 20 mg and Epi 40 mg RDSTs did not differ significantly (P > 0.05) from Epi 0.3 mg IM injection. After adrenaline, regardless of route of administration, pharmacokinetic parameters were significantly higher (P adrenaline levels). Epi-MC RDSTs facilitated a twofold increase in Epi absorption and a 50% reduction in the sublingual dose. This novel sublingual tablet formulation is potentially useful for the first-aid treatment of anaphylaxis in community settings. © 2014 Royal Pharmaceutical Society.

  9. Physical-Mechanical characterization of cosmetic formulations and correlation between instrumental measurements and sensorial properties.

    Science.gov (United States)

    Calixto, L S; Maia Campos, P M B G

    2017-10-01

    The correct choice of raw materials in the development of cosmetic formulations is essential for obtaining stable and pleasant skin care products. Therefore, rheological, texture and sensory analyses are important to understand the behaviour and stability of the formulations. In this context, the aim of this study was to develop cosmetic formulations containing or not (vehicle) UV filters and chicory root extract, to evaluate their stability as well as to characterize their physical and texture properties and correlate them with the sensory attributes. Four formulations containing organic UV filters and chicory extract, each alone or in combination, were developed and evaluated for 180 days with a cone and plate rheometer, a texture analyzer and consumer's sensorial analysis. Thus, the data obtained were correlated to observe the different influences. The developed formulations remained stable after 180 days regarding macroscopic aspects, organoleptic characteristics and pH values. The addition of the UV filters alone and in combination with the active substance resulted in significant increases in rheology properties, viscosity and consistency. The formulation with the active ingredient showed significant decreases in the texture parameters after 180 days, mainly due to its polysaccharide inulin. All formulations obtained high scores in sensorial parameters. A strong correlation was mainly found between spreadability and work of shear, and between the texture parameters. The raw materials strongly influenced the physical, texture and sensorial parameters. Finally, the UV filters showed a greater influence on the results of the formulations than the chicory root extract. In conclusion, the association of the mentioned methods allows the correct choice of ingredients and their combinations. © 2017 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  10. Modeling the self-assembly of ordered nanoporous materials

    Energy Technology Data Exchange (ETDEWEB)

    Monson, Peter [Univ. of Massachusetts, Amherst, MA (United States); Auerbach, Scott [Univ. of Massachusetts, Amherst, MA (United States)

    2017-11-13

    This report describes progress on a collaborative project on the multiscale modeling of the assembly processes in the synthesis of nanoporous materials. Such materials are of enormous importance in modern technology with application in the chemical process industries, biomedicine and biotechnology as well as microelectronics. The project focuses on two important classes of materials: i) microporous crystalline materials, such as zeolites, and ii) ordered mesoporous materials. In the first case the pores are part of the crystalline structure, while in the second the structures are amorphous on the atomistic length scale but where surfactant templating gives rise to order on the length scale of 2 - 20 nm. We have developed a modeling framework that encompasses both these kinds of materials. Our models focus on the assembly of corner sharing silica tetrahedra in the presence of structure directing agents. We emphasize a balance between sufficient realism in the models and computational tractibility given the complex many-body phenomena. We use both on-lattice and off-lattice models and the primary computational tools are Monte Carlo simulations with sampling techniques and ensembles appropriate to specific situations. Our modeling approach is the first to capture silica polymerization, nanopore crystallization, and mesopore formation through computer-simulated self assembly.

  11. Towards a methodology to formulate sustainable diets for livestock: accounting for environmental impact in diet formulation.

    Science.gov (United States)

    Mackenzie, S G; Leinonen, I; Ferguson, N; Kyriazakis, I

    2016-05-28

    The objective of this study was to develop a novel methodology that enables pig diets to be formulated explicitly for environmental impact objectives using a Life Cycle Assessment (LCA) approach. To achieve this, the following methodological issues had to be addressed: (1) account for environmental impacts caused by both ingredient choice and nutrient excretion, (2) formulate diets for multiple environmental impact objectives and (3) allow flexibility to identify the optimal nutritional composition for each environmental impact objective. An LCA model based on Canadian pig farms was integrated into a diet formulation tool to compare the use of different ingredients in Eastern and Western Canada. By allowing the feed energy content to vary, it was possible to identify the optimum energy density for different environmental impact objectives, while accounting for the expected effect of energy density on feed intake. A least-cost diet was compared with diets formulated to minimise the following objectives: non-renewable resource use, acidification potential, eutrophication potential, global warming potential and a combined environmental impact score (using these four categories). The resulting environmental impacts were compared using parallel Monte Carlo simulations to account for shared uncertainty. When optimising diets to minimise a single environmental impact category, reductions in the said category were observed in all cases. However, this was at the expense of increasing the impact in other categories and higher dietary costs. The methodology can identify nutritional strategies to minimise environmental impacts, such as increasing the nutritional density of the diets, compared with the least-cost formulation.

  12. Fatigue modeling of materials with complex microstructures

    DEFF Research Database (Denmark)

    Qing, Hai; Mishnaevsky, Leon

    2011-01-01

    with the phenomenological model of fatigue damage growth. As a result, the fatigue lifetime of materials with complex structures can be determined as a function of the parameters of their structures. As an example, the fatigue lifetimes of wood modeled as a cellular material with multilayered, fiber reinforced walls were...

  13. New waste based clinkers: Belite and lime formulations

    International Nuclear Information System (INIS)

    Raupp-Pereira, Fabiano; Ball, Richard James; Rocha, Joao; Labrincha, Joao A.; Allen, Geoffrey C.

    2008-01-01

    This work describes the formulation of new belite-based (CR2) and lime-based (CR3) cementitious materials derived from industrial wastes, such as sludges (generated in the Al-anodising and surface coating industrial processes, potable water filtration/cleaning operations and in marble sawing processes) and foundry sand. Powder mixtures were prepared and fired at different temperatures. For comparison, similar formulations were prepared with pre-treated and commercially available natural raw materials and processed in similar conditions. The thermal process was followed by differential scanning calorimetry (DSC) and high-temperature powder X-ray diffraction (HT-XRD) studies. The CR2 clinker was found to contain belite as the main cementitious phase, the main polymorph being identified by NMR. The CR3 clinker contained common cementitious phases, such as C 3 A and C 3 S, but free lime and calcium aluminium oxide sulphates were also identified by high temperature XRD and NMR. Then the corresponding cement was prepared and the evolution of the mechanical strength with time was evaluated. The lime-based cement obtained from wastes shows a stronger hardening character than the standard material, which tends to show dusting phenomena due to the presence of a reasonable amount of free lime (as the result of its expansive reaction with ambient moisture). Some fluxing impurities (e.g. alkalis) present in the waste materials improve the overall reactivity of the mixture and induces the combination of the lime in CR3. Raman, XPS and FIB techniques were used to fully characterise the aged cements

  14. Summary compilation of shell element performance versus formulation.

    Energy Technology Data Exchange (ETDEWEB)

    Heinstein, Martin Wilhelm; Hales, Jason Dean (Idaho National Laboratory, Idaho Falls, ID); Breivik, Nicole L.; Key, Samuel W. (FMA Development, LLC, Great Falls, MT)

    2011-07-01

    This document compares the finite element shell formulations in the Sierra Solid Mechanics code. These are finite elements either currently in the Sierra simulation codes Presto and Adagio, or expected to be added to them in time. The list of elements are divided into traditional two-dimensional, plane stress shell finite elements, and three-dimensional solid finite elements that contain either modifications or additional terms designed to represent the bending stiffness expected to be found in shell formulations. These particular finite elements are formulated for finite deformation and inelastic material response, and, as such, are not based on some of the elegant formulations that can be found in an elastic, infinitesimal finite element setting. Each shell element is subjected to a series of 12 verification and validation test problems. The underlying purpose of the tests here is to identify the quality of both the spatially discrete finite element gradient operator and the spatially discrete finite element divergence operator. If the derivation of the finite element is proper, the discrete divergence operator is the transpose of the discrete gradient operator. An overall summary is provided from which one can rank, at least in an average sense, how well the individual formulations can be expected to perform in applications encountered year in and year out. A letter grade has been assigned albeit sometimes subjectively for each shell element and each test problem result. The number of A's, B's, C's, et cetera assigned have been totaled, and a grade point average (GPA) has been computed, based on a 4.0-system. These grades, combined with a comparison between the test problems and the application problem, can be used to guide an analyst to select the element with the best shell formulation.

  15. Composite material bend-twist coupling for wind turbine blade applications

    Science.gov (United States)

    Walsh, Justin M.

    Current efforts in wind turbine blade design seek to employ bend-twist coupling of composite materials for passive power control by twisting blades to feather. Past efforts in this area of study have proved to be problematic, especially in formulation of the bend-twist coupling coefficient alpha. Kevlar/epoxy, carbon/epoxy and glass/epoxy specimens were manufactured to study bend-twist coupling, from which numerical and analytical models could be verified. Finite element analysis was implemented to evaluate fiber orientation and material property effects on coupling magnitude. An analytical/empirical model was then derived to describe numerical results and serve as a replacement for the commonly used coupling coefficient alpha. Through the results from numerical and analytical models, a foundation for aeroelastic design of wind turbines blades utilizing biased composite materials is provided.

  16. Exploration of nutraceutical potential of herbal oil formulated from ...

    African Journals Online (AJOL)

    Background: Cuscuta reflexa (C. reflexa) is a parasitic climber of medicinal importance. The present study was aimed to evaluate the nutraceutical potential of C. reflexa stems collected from different hosts and to evaluate the role of the herbal formulation in dandruff, hair fall control as well as hair growth promoter. Materials ...

  17. Design, formulation and evaluation of caffeine chewing gum.

    Science.gov (United States)

    Aslani, Abolfazl; Jalilian, Fatemeh

    2013-01-01

    Caffeine which exists in drinks such as coffee as well as in drug dosage forms in the global market is among the materials that increase alertness and decrease fatigue. Compared to other forms of caffeine, caffeine gum can create faster and more prominent effects. In this study, the main goal is to design a new formulation of caffeine gum with desirable taste and assess its physicochemical properties. Caffeine gum was prepared by softening of gum bases and then mixing with other formulation ingredients. To decrease the bitterness of caffeine, sugar, aspartame, liquid glucose, sorbitol, manitol, xylitol, and various flavors were used. Caffeine release from gum base was investigated by mechanical chewing set. Content uniformity test was also performed on the gums. The gums were evaluated in terms of organoleptic properties by the Latin-Square design at different stages. After making 22 formulations of caffeine gums, F11 from 20 mg caffeine gums and F22 from 50 mg caffeine gums were chosen as the best formulation in organoleptic properties. Both types of gum released about 90% of their own drug content after 30 min. Drug content of 20 and 50 mg caffeine gum was about 18.2-21.3 mg and 45.7-53.6 mg respectively. In this study, 20 and 50 mg caffeine gums with suitable and desirable properties (i.e., good taste and satisfactory release) were formulated. The best flavor for caffeine gum was cinnamon. Both kinds of 20 and 50 mg gums succeeded in content uniformity test.

  18. Systematic design of 3D auxetic lattice materials with programmable Poisson's ratio for finite strains

    Science.gov (United States)

    Wang, Fengwen

    2018-05-01

    This paper presents a systematic approach for designing 3D auxetic lattice materials, which exhibit constant negative Poisson's ratios over large strain intervals. A unit cell model mimicking tensile tests is established and based on the proposed model, the secant Poisson's ratio is defined as the negative ratio between the lateral and the longitudinal engineering strains. The optimization problem for designing a material unit cell with a target Poisson's ratio is formulated to minimize the average lateral engineering stresses under the prescribed deformations. Numerical results demonstrate that 3D auxetic lattice materials with constant Poisson's ratios can be achieved by the proposed optimization formulation and that two sets of material architectures are obtained by imposing different symmetry on the unit cell. Moreover, inspired by the topology-optimized material architecture, a subsequent shape optimization is proposed by parametrizing material architectures using super-ellipsoids. By designing two geometrical parameters, simple optimized material microstructures with different target Poisson's ratios are obtained. By interpolating these two parameters as polynomial functions of Poisson's ratios, material architectures for any Poisson's ratio in the interval of ν ∈ [ - 0.78 , 0.00 ] are explicitly presented. Numerical evaluations show that interpolated auxetic lattice materials exhibit constant Poisson's ratios in the target strain interval of [0.00, 0.20] and that 3D auxetic lattice material architectures with programmable Poisson's ratio are achievable.

  19. Modeling volatile organic compounds sorption on dry building materials using double-exponential model

    International Nuclear Information System (INIS)

    Deng, Baoqing; Ge, Di; Li, Jiajia; Guo, Yuan; Kim, Chang Nyung

    2013-01-01

    A double-exponential surface sink model for VOCs sorption on building materials is presented. Here, the diffusion of VOCs in the material is neglected and the material is viewed as a surface sink. The VOCs concentration in the air adjacent to the material surface is introduced and assumed to always maintain equilibrium with the material-phase concentration. It is assumed that the sorption can be described by mass transfer between the room air and the air adjacent to the material surface. The mass transfer coefficient is evaluated from the empirical correlation, and the equilibrium constant can be obtained by linear fitting to the experimental data. The present model is validated through experiments in small and large test chambers. The predicted results accord well with the experimental data in both the adsorption stage and desorption stage. The model avoids the ambiguity of model constants found in other surface sink models and is easy to scale up

  20. Crystallization Formulation Lab

    Data.gov (United States)

    Federal Laboratory Consortium — The Crystallization Formulation Lab fills a critical need in the process development and optimization of current and new explosives and energetic formulations. The...

  1. A Lagrange-Eulerian formulation of an axially moving beam based on the absolute nodal coordinate formulation

    Energy Technology Data Exchange (ETDEWEB)

    Pechstein, Astrid, E-mail: astrid.pechstein@jku.at [Johannes Kepler University Linz, Institute of Technical Mechanics (Austria); Gerstmayr, Johannes, E-mail: johannes.gerstmayr@accm.co.at [Austrian Center of Competence in Mechatronics (Austria)

    2013-10-15

    In the scope of this paper, a finite-element formulation for an axially moving beam is presented. The beam element is based on the absolute nodal coordinate formulation, where position and slope vectors are used as degrees of freedom instead of rotational parameters. The equations of motion for an axially moving beam are derived from generalized Lagrange equations in a Lagrange-Eulerian sense. This procedure yields equations which can be implemented as a straightforward augmentation to the standard equations of motion for a Bernoulli-Euler beam. Moreover, a contact model for frictional contact between an axially moving strip and rotating rolls is presented. To show the efficiency of the method, simulations of a belt drive are presented.

  2. An Overview of Mechanical Properties and Material Modeling of Polylactide (PLA) for Medical Applications.

    Science.gov (United States)

    Bergström, Jörgen S; Hayman, Danika

    2016-02-01

    This article provides an overview of the connection between the microstructural state and the mechanical response of various bioresorbable polylactide (PLA) devices for medical applications. PLLA is currently the most commonly used material for bioresorbable stents and sutures, and its use is increasing in many other medical applications. The non-linear mechanical response of PLLA, due in part to its low glass transition temperature (T g ≈ 60 °C), is highly sensitive to the molecular weight and molecular orientation field, the degree of crystallinity, and the physical aging time. These microstructural parameters can be tailored for specific applications using different resin formulations and processing conditions. The stress-strain, deformation, and degradation response of a bioresorbable medical device is also strongly dependent on the time history of applied loads and boundary conditions. All of these factors can be incorporated into a suitable constitutive model that captures the multiple physics that are involved in the device response. Currently developed constitutive models already provide powerful computations simulation tools, and more progress in this area is expected to occur in the coming years.

  3. The Multimedia Environmental Pollutant Assessment System (MEPAS)reg-sign: Atmospheric pathway formulations. Revision

    International Nuclear Information System (INIS)

    Droppo, J.G.; Buck, J.W.

    1996-03-01

    The Multimedia Environmental Pollutant Assessment System (MEPAS) is an integrated software implementation of physics-based fate and transport models for health and environmental risk assessments of both radioactive and hazardous pollutants. This atmospheric component report is one of a series of formulation reports that document the MEPAS mathematical models. MEPAS is a multimedia model; pollutant transport is modeled within, through, and between multiple media (air, soil, groundwater, and surface water). The estimated concentrations in the various media are used to compute exposures and impacts to the environment, to maximum individuals, and to populations. The MEPAS atmospheric component for the air media documented in this report includes models for emission from a source to the air, initial plume rise and dispersion, airborne pollutant transport and dispersion, and deposition to soils and crops. The material in this report is documentation for MEPAS Versions 3.0 and 3.1 and the MEPAS version used in the Remedial Action Assessment System (RAAS) Version 1.0

  4. Development of a materials data base for modeling

    International Nuclear Information System (INIS)

    Iwata, S.; Ashino, T.; Ishino, S.

    1988-01-01

    Materials selection for fusion reactors requires a materials data base and a set of methods to estimate material properties in a ''virtual'' fusion reactor. This estimation process, namely, modeling, is analyzed as compromising of design requirements, available data bases and methods of estimation, and a concept of an ideal computer system to support this modeling process is proposed. The limitations of a commercial DBMS (Data Base Management System) to handle sophisticated materials data are described in accordance with our experiences. Secondly, ways to manipulate analytical expressions are discussed as the next step for computer assisted modeling. Finally, an advanced method is presented which is able to manage models and data in the same manner without paying attention to annoying rules compelled by constraints of using computers. (orig.)

  5. Materials for Space Exploration

    Science.gov (United States)

    Robertson, Luke B.; Williams, Martha

    2010-01-01

    Topics include a lab overview, testing and processing equipment, hemochromic hydrogen sensors, antimicrobial materials, wire system materials, CNT ink formulations, CNT ink dust screens, CNT ink printed circuitry, cryogenic materials development, fire and polymers, the importance of lighting, electric lighting systems, LED for plant growth, and carbon nanotube fiber filaments.

  6. Formulations with green clay for acne-prone skin: evaluation of rheology and sensory

    Directory of Open Access Journals (Sweden)

    Maria Cibelle Pauli Lungatto

    2014-11-01

    Full Text Available Acne is an inflammatory skin condition that develops in pilosebaceous follicles, affecting mainly the onset of puberty. Among the numerous chemicals with dermatological and cosmetic purpose, traded and prescribed, raw materials of mineral origin have been often sought in formulations aimed at treating and / or preventing acne. This work aimed at the development of cosmetic preparations including green clay and sensory analysis of the formulations. Four formulations containing 2.5 % to 5 % green clay, in the presence or absence of dimethicone were prepared. The rheological behavior of the samples was analyzed at time 0, 24 hours, 30 days, 60 days and 90 days, using a cone and plate type rheometer (DVII + viscometer, Brookfiel. Sensory analyses of the formulations were also made. It can be concluded that all formulations exhibited pseudoplastic behavior and, through statistical analysis, it was found that there were no significant differences in acceptance between the formulations with or without dimethicone in the attributes of spreadability, stickiness, color and sensation after application. However, in regard to the attribute of odor, it was found that there was a greater acceptance in formulations to which dimethicone was added.

  7. Modeling of Landslides with the Material Point Method

    DEFF Research Database (Denmark)

    Andersen, Søren Mikkel; Andersen, Lars

    2008-01-01

    A numerical model for studying the dynamic evolution of landslides is presented. The numerical model is based on the Generalized Interpolation Material Point Method. A simplified slope with a house placed on top is analysed. An elasto-plastic material model based on the Mohr-Coulomb yield criterion...

  8. Modelling of Landslides with the Material-point Method

    DEFF Research Database (Denmark)

    Andersen, Søren; Andersen, Lars

    2009-01-01

    A numerical model for studying the dynamic evolution of landslides is presented. The numerical model is based on the Generalized Interpolation Material Point Method. A simplified slope with a house placed on top is analysed. An elasto-plastic material model based on the Mohr-Coulomb yield criterion...

  9. Development of grout formulations for 106-AN waste: Mixture-experiment results and analysis

    International Nuclear Information System (INIS)

    Spence, R.D.; McDaniel, E.W.; Anderson, C.M.; Lokken, R.O.; Piepel, G.F.

    1993-09-01

    Twenty potential ingredients were identified for use in developing a 106-AN grout formulation, and 18 were subsequently obtained and tested. Four ingredients: Type II-LA (moderate heat of hydration) Portland cement, Class F fly ash, attapulgite 150 drilling clay, and ground air-cooled blast-furnace slag (GABFS) -- were selected for developing the 106-AN grout formulations. A mixture experiment was designed and conducted around the following formulation: 2.5 lb of cement per gallon, 1.2 lb of fly ash per gallon, 0.8 lb of attapulgite per gallon, and 3.5 lb of GABFS per gallon. Reduced empirical models were generated from the results of the mixture experiment. These models were used to recommend several grout formulations for 106-AN. Westinghouse Hanford Company selected one of these formulations to be verified for use with 106-AN and a backup formulation in case problems arise with the first choice. This report presents the mixture-experimental results and leach data

  10. Wound Healing Activity of a New Formulation from Platelet Lysate

    Directory of Open Access Journals (Sweden)

    Akram Jamshidzadeh

    2016-03-01

    Full Text Available Platelet-rich plasma (PRP is an attractive preparation in regenerative medicine due to its potential role in the healing process in different experimental models. This study was designed to investigate the wound healing activity of a new formulation of PRP. Different gel-based formulations of PRP were prepared. Open excision wounds were made on the back of male Sprague-Dawley rats, and PRP gel was administered topically once daily until the wounds healed completely (12 days. The results revealed that the tested PRP formulation significantly accelerated the wound healing process by increasing the wound contraction, tissue granulization, vascularization, and collagen regeneration. Interestingly, this study showed that there were no significant differences between the PRP and its gel-based formulation in all the above mentioned parameters. Although this investigation showed that PRP formulation had significant wound healing effects, the PRP gel-based formulation also had significant wound healing properties. This might indicate the wound healing properties of the PRP gel ingredients in the current investigation.

  11. Predicting Cortisol Exposure from Paediatric Hydrocortisone Formulation Using a Semi-Mechanistic Pharmacokinetic Model Established in Healthy Adults.

    Science.gov (United States)

    Melin, Johanna; Parra-Guillen, Zinnia P; Hartung, Niklas; Huisinga, Wilhelm; Ross, Richard J; Whitaker, Martin J; Kloft, Charlotte

    2018-04-01

    Optimisation of hydrocortisone replacement therapy in children is challenging as there is currently no licensed formulation and dose in Europe for children under 6 years of age. In addition, hydrocortisone has non-linear pharmacokinetics caused by saturable plasma protein binding. A paediatric hydrocortisone formulation, Infacort ® oral hydrocortisone granules with taste masking, has therefore been developed. The objective of this study was to establish a population pharmacokinetic model based on studies in healthy adult volunteers to predict hydrocortisone exposure in paediatric patients with adrenal insufficiency. Cortisol and binding protein concentrations were evaluated in the absence and presence of dexamethasone in healthy volunteers (n = 30). Dexamethasone was used to suppress endogenous cortisol concentrations prior to and after single doses of 0.5, 2, 5 and 10 mg of Infacort ® or 20 mg of Infacort ® /hydrocortisone tablet/hydrocortisone intravenously. A plasma protein binding model was established using unbound and total cortisol concentrations, and sequentially integrated into the pharmacokinetic model. Both specific (non-linear) and non-specific (linear) protein binding were included in the cortisol binding model. A two-compartment disposition model with saturable absorption and constant endogenous cortisol baseline (Baseline cort ,15.5 nmol/L) described the data accurately. The predicted cortisol exposure for a given dose varied considerably within a small body weight range in individuals weighing cortisol exposure indicated the importance of defining an accurate hydrocortisone dose to mimic physiological concentrations for neonates and infants weighing <20 kg. EudraCT number: 2013-000260-28, 2013-000259-42.

  12. LimitS - A system for limit state analysis and optimal material layout

    DEFF Research Database (Denmark)

    Damkilde, Lars; Krenk, Steen

    1997-01-01

    distribution or an optimal material layout is determined. Through linearization of the yield criteria the optimization problem is stated as a linear programming problem. Within the formulation of the discretized model the optimal lower-bound solution is shown to be an upper-bound solution, and thereby both...

  13. Efficacy and toxicological studies of cremophor EL free alternative paclitaxel formulation.

    Science.gov (United States)

    Utreja, Puneet; Jain, Subheet; Yadav, Subodh; Khandhuja, K L; Tiwary, A K

    2011-11-01

    In the present study, Cremophor EL free paclitaxel elastic liposomal formulation consisting of soya phosphatidylcholine and biosurfactant sodium deoxycholate was developed and optimized. The toxicological profile, antitumor efficacy and hemolytic toxicity of paclitaxel elastic liposomal formulation in comparison to Cremophor EL based marketed formulation were evaluated. Paclitaxel elastic liposomal formulations were prepared and characterized in vitro, ex-vivo and in vivo. Single dose toxicity study of paclitaxel elastic liposomal and marketed formulation was carried out in dose range of 10, 20, 40, 80, 120, 160 and 200 mg/kg. Cytotoxicity of developed formulation was evaluated using small cell lung cancer cell line (A549). Antitumor activity of developed formulation was compared with the marketed formulation using Cytoselect™ 96-well cell transformation assay. In vivo administration of paclitaxel elastic liposomal formulation into mice showed 6 fold increase in Maximum Tolerated Dose (MTD) in comparison to the marketed formulation. Similarly, LD50 (141.6 mg/kg) was also found to increase significantly than the marketed formulation (16.7 mg/kg). Result of antitumor assay revealed a high reduction of tumor density with paclitaxel elastic liposomal formulation. Reduction in hemolytic toxicity was also observed with paclitaxel elastic liposomal formulation in comparison to the marketed formulation. The carrier based approach for paclitaxel delivery demonstrated significant reduction in toxicity as compared to the Cremophor EL based marketed formulation following intra-peritoneal administration in mice model. The reduced toxicity and enhanced anti-cancer activity of elastic liposomal formulation strongly indicate its potential for safe and effective delivery of paclitaxel.

  14. Ising formulation of associative memory models and quantum annealing recall

    Science.gov (United States)

    Santra, Siddhartha; Shehab, Omar; Balu, Radhakrishnan

    2017-12-01

    Associative memory models, in theoretical neuro- and computer sciences, can generally store at most a linear number of memories. Recalling memories in these models can be understood as retrieval of the energy minimizing configuration of classical Ising spins, closest in Hamming distance to an imperfect input memory, where the energy landscape is determined by the set of stored memories. We present an Ising formulation for associative memory models and consider the problem of memory recall using quantum annealing. We show that allowing for input-dependent energy landscapes allows storage of up to an exponential number of memories (in terms of the number of neurons). Further, we show how quantum annealing may naturally be used for recall tasks in such input-dependent energy landscapes, although the recall time may increase with the number of stored memories. Theoretically, we obtain the radius of attractor basins R (N ) and the capacity C (N ) of such a scheme and their tradeoffs. Our calculations establish that for randomly chosen memories the capacity of our model using the Hebbian learning rule as a function of problem size can be expressed as C (N ) =O (eC1N) , C1≥0 , and succeeds on randomly chosen memory sets with a probability of (1 -e-C2N) , C2≥0 with C1+C2=(0.5-f ) 2/(1 -f ) , where f =R (N )/N , 0 ≤f ≤0.5 , is the radius of attraction in terms of the Hamming distance of an input probe from a stored memory as a fraction of the problem size. We demonstrate the application of this scheme on a programmable quantum annealing device, the D-wave processor.

  15. Quality by Design approach for studying the impact of formulation and process variables on product quality of oral disintegrating films.

    Science.gov (United States)

    Mazumder, Sonal; Pavurala, Naresh; Manda, Prashanth; Xu, Xiaoming; Cruz, Celia N; Krishnaiah, Yellela S R

    2017-07-15

    The present investigation was carried out to understand the impact of formulation and process variables on the quality of oral disintegrating films (ODF) using Quality by Design (QbD) approach. Lamotrigine (LMT) was used as a model drug. Formulation variable was plasticizer to film former ratio and process variables were drying temperature, air flow rate in the drying chamber, drying time and wet coat thickness of the film. A Definitive Screening Design of Experiments (DoE) was used to identify and classify the critical formulation and process variables impacting critical quality attributes (CQA). A total of 14 laboratory-scale DoE formulations were prepared and evaluated for mechanical properties (%elongation at break, yield stress, Young's modulus, folding endurance) and other CQA (dry thickness, disintegration time, dissolution rate, moisture content, moisture uptake, drug assay and drug content uniformity). The main factors affecting mechanical properties were plasticizer to film former ratio and drying temperature. Dissolution rate was found to be sensitive to air flow rate during drying and plasticizer to film former ratio. Data were analyzed for elucidating interactions between different variables, rank ordering the critical materials attributes (CMA) and critical process parameters (CPP), and for providing a predictive model for the process. Results suggested that plasticizer to film former ratio and process controls on drying are critical to manufacture LMT ODF with the desired CQA. Published by Elsevier B.V.

  16. Application of an Artificial Stomach-Duodenum Reduced Gastric pH Dog Model for Formulation Principle Assessment and Mechanistic Performance Understanding.

    Science.gov (United States)

    Lee, Chen-Ming; Luner, Paul E; Locke, Karen; Briggs, Katherine

    2017-08-01

    The objective of this study was to develop an artificial stomach-duodenum (ASD) dissolution model as an in vitro evaluation tool that would simulate the gastrointestinal physiology of gastric pH-reduced dogs as a method to assess formulations for a poorly soluble free acid compound with ng/mL solubility. After establishing the ASD model with well-controlled duodenum pH, 5 formulations each applying different solubilization principles were developed and their performance in the ASD model and in vivo in dogs was evaluated. Excellent correlations were obtained between dog area under the curve (AUC) and ASD AUC of 5 formulations evaluated with simulated intestinal fluid (r 2  = 0.987) and fasted-state simulated intestinal fluid (r 2  = 0.989) as the duodenum dissolution medium, indicating that the approach of infusing NaOH into duodenum compartment to maintain duodenum pH of an ASD worked properly in simulating gastric pH-reduced dog. Raman spectroscopy was used to study drug dissolution kinetics associated with different solubilization principles and the results suggested that the solubilization principles performed as designed. Spectroscopic results also identified that the compound formed a gel during dissolution and hypromellose maintained the drug-gelled state to avoid further solid form conversion. The implication of the compound physical gelation to drug dissolution kinetics and in vivo exposure are discussed. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  17. Optimization strategies for discrete multi-material stiffness optimization

    DEFF Research Database (Denmark)

    Hvejsel, Christian Frier; Lund, Erik; Stolpe, Mathias

    2011-01-01

    Design of composite laminated lay-ups are formulated as discrete multi-material selection problems. The design problem can be modeled as a non-convex mixed-integer optimization problem. Such problems are in general only solvable to global optimality for small to moderate sized problems. To attack...... which numerically confirm the sought properties of the new scheme in terms of convergence to a discrete solution....

  18. Simultaneously Exploiting Two Formulations: an Exact Benders Decomposition Approach

    DEFF Research Database (Denmark)

    Lusby, Richard Martin; Gamst, Mette; Spoorendonk, Simon

    When modelling a given problem using linear programming techniques several possibilities often exist, and each results in a different mathematical formulation of the problem. Usually, advantages and disadvantages can be identified in any single formulation. In this paper we consider mixed integer...... to the standard branch-and-price approach from the literature, the method shows promising performance and appears to be an attractive alternative....

  19. Non Linear Programming (NLP) formulation for quantitative modeling of protein signal transduction pathways.

    Science.gov (United States)

    Mitsos, Alexander; Melas, Ioannis N; Morris, Melody K; Saez-Rodriguez, Julio; Lauffenburger, Douglas A; Alexopoulos, Leonidas G

    2012-01-01

    Modeling of signal transduction pathways plays a major role in understanding cells' function and predicting cellular response. Mathematical formalisms based on a logic formalism are relatively simple but can describe how signals propagate from one protein to the next and have led to the construction of models that simulate the cells response to environmental or other perturbations. Constrained fuzzy logic was recently introduced to train models to cell specific data to result in quantitative pathway models of the specific cellular behavior. There are two major issues in this pathway optimization: i) excessive CPU time requirements and ii) loosely constrained optimization problem due to lack of data with respect to large signaling pathways. Herein, we address both issues: the former by reformulating the pathway optimization as a regular nonlinear optimization problem; and the latter by enhanced algorithms to pre/post-process the signaling network to remove parts that cannot be identified given the experimental conditions. As a case study, we tackle the construction of cell type specific pathways in normal and transformed hepatocytes using medium and large-scale functional phosphoproteomic datasets. The proposed Non Linear Programming (NLP) formulation allows for fast optimization of signaling topologies by combining the versatile nature of logic modeling with state of the art optimization algorithms.

  20. Non Linear Programming (NLP formulation for quantitative modeling of protein signal transduction pathways.

    Directory of Open Access Journals (Sweden)

    Alexander Mitsos

    Full Text Available Modeling of signal transduction pathways plays a major role in understanding cells' function and predicting cellular response. Mathematical formalisms based on a logic formalism are relatively simple but can describe how signals propagate from one protein to the next and have led to the construction of models that simulate the cells response to environmental or other perturbations. Constrained fuzzy logic was recently introduced to train models to cell specific data to result in quantitative pathway models of the specific cellular behavior. There are two major issues in this pathway optimization: i excessive CPU time requirements and ii loosely constrained optimization problem due to lack of data with respect to large signaling pathways. Herein, we address both issues: the former by reformulating the pathway optimization as a regular nonlinear optimization problem; and the latter by enhanced algorithms to pre/post-process the signaling network to remove parts that cannot be identified given the experimental conditions. As a case study, we tackle the construction of cell type specific pathways in normal and transformed hepatocytes using medium and large-scale functional phosphoproteomic datasets. The proposed Non Linear Programming (NLP formulation allows for fast optimization of signaling topologies by combining the versatile nature of logic modeling with state of the art optimization algorithms.

  1. Investigation of isochronous stress-strain formulations for elevated temperature structural design

    International Nuclear Information System (INIS)

    Koo, Gyeong Hoi; Kim, Jong Bum

    2012-01-01

    For elevated temperature design evaluations by the ASME-NH rules, the most important material data is the isochronous stress-strain curves, which can provide design creep information. The main purpose of this paper is to investigate appropriate formulations to be able to generate the isochronous stress-strain curves and implement it to the computer program which is coded the ASME-NH design evaluation procedures. To do this, formulations by the strain-time relationship are investigated in detail and the sensitivity studies for rapid initial transient creep contributions, slower and longer transient creep contribution, and secondary creep contributions are carried out for type 316 austenitic stainless steel. From the results of this study, it is found that the strain-time relationship formulations can well describe the isochronous stress-strain curves with the transient creep contributions

  2. Strategy Scriptions: On sociomaterial devices staging strategy formulation European Management Journal

    DEFF Research Database (Denmark)

    Friis, Ole Uhrskov

    2014-01-01

    is making strategic choices, then chose a strategy and then making and action plan. Most project groups worked as expected, one group constituting a rare exception, as staging and the mobilisation of devices lead to unanticipated events, triggering extraordinary management activity. Our study shows......Strategy formulation can be viewed as an entanglement of social and material elements, developing sociomaterial strategy devices. Devices contribute to arranging and staging occasions of strategy formulation. The article investigates which arenas are staged for strategy formulation, which types...... of devices is purposely mobilised by management. and consultants. First, one central device, based on a balanced scorecard, is staging the managers as active strategists in a more traditional strategy workshop, with the employees as distanced spectators. Second, the employees are staged in an open space...

  3. Compendium of Material Composition Data for Radiation Transport Modeling

    International Nuclear Information System (INIS)

    Williams, Ralph G.; Gesh, Christopher J.; Pagh, Richard T.

    2006-01-01

    Computational modeling of radiation transport problems including homeland security, radiation shielding and protection, and criticality safety all depend upon material definitions. This document has been created to serve two purposes: (1) to provide a quick reference of material compositions for analysts and (2) a standardized reference to reduce the differences between results from two independent analysts. Analysts are always encountering a variety of materials for which elemental definitions are not readily available or densities are not defined. This document provides a location where unique or hard to define materials will be located to reduce duplication in research for modeling purposes. Additionally, having a common set of material definitions helps to standardize modeling across PNNL and provide two separate researchers the ability to compare different modeling results from a common materials basis.

  4. Theoretical model for the hydrogen-material interaction as a basis for prediction of the material mechanical properties

    International Nuclear Information System (INIS)

    Indeitsev, D.A.; Polyanskiy, V.A.; Sukhanov, A.A.; Belyaev, A.A.

    2009-01-01

    The natural law concentration of hydrogen inside the materials has a distribution over the different binding energies. This distribution is changing under the mechanical tension. The model of interaction of the small hydrogen concentration with materials provides one with an instrument for modeling the materials fatigue and destruction, as well as the prediction of material properties during exploitation. The well-known models are of the phenomenological nature. However if one takes into account the physical mechanism then one obtains an accurate model and the instrument for the reliable prediction. The two-continuum model of the solid material is a substantiation for the present study. This model describes the interaction between the low concentration of hydrogen and the material. The redistribution of the hydrogen between the different binding energy levels is taken into account, too

  5. Material appearance modeling a data-coherent approach

    CERN Document Server

    Dong, Yue; Guo, Baining

    2013-01-01

    A principal aim of computer graphics is to generate images that look as real as photographs. Realistic computer graphics imagery has however proven to be quite challenging to produce, since the appearance of materials arises from complicated physical processes that are difficult to analytically model and simulate, and image-based modeling of real material samples is often impractical due to the high-dimensional space of appearance data that needs to be acquired.This book presents a general framework based on the inherent coherency in the appearance data of materials to make image-based appeara

  6. Formulation of Higher Education Institutional Strategy Using Operational Research Approaches

    Science.gov (United States)

    Labib, Ashraf; Read, Martin; Gladstone-Millar, Charlotte; Tonge, Richard; Smith, David

    2014-01-01

    In this paper a framework is proposed for the formulation of a higher education institutional (HEI) strategy. This work provides a practical example, through a case study, to demonstrate how the proposed framework can be applied to the issue of formulation of HEI strategy. The proposed hybrid model is based on two operational research…

  7. Derivation of finite element formulation for electrochemical governing equations of ionic polymer actuators

    International Nuclear Information System (INIS)

    Kang, Sung Soo

    2013-01-01

    Ionic polymer actuators have recently attracted a great deal of interest as electroactive materials with potentials as soft actuators, sensors, artificial muscles, robotics, and microelectromechanical systems because of their numerous advantages, including low voltage requirement, high compliance, lightness, and flexibility. The platinum-plated Nafion, a perfluorosulfonic acid membrane made by Dupont, is commonly used as a polyelectrolyte in actuator applications. The bending of the ionic polymer actuators in an electric field is dominated by the electro-osmosis of hydrated ions and slow diffusion of free water molecules. The changes in hydration cause a local volumetric strain resulting in bending deformation, such as expansion and contraction. In this study, a two-dimensional finite element (FE) formulation based on the Galerkin method is derived for the governing equations describing these electrochemical responses. In addition, a three-dimensional FE deformation analysis is conducted on the bending behaviors of the platinum-plated ionic polymer actuators. Several numerical studies for ionic polymer actuators, such as plates with various electrode arrangements and disk models in electric field, are performed to confirm the validity of the proposed formulation.

  8. Audits of radiopharmaceutical formulations

    International Nuclear Information System (INIS)

    Castronovo, F.P. Jr.

    1992-01-01

    A procedure for auditing radiopharmaceutical formulations is described. To meet FDA guidelines regarding the quality of radiopharmaceuticals, institutional radioactive drug research committees perform audits when such drugs are formulated away from an institutional pharmacy. All principal investigators who formulate drugs outside institutional pharmacies must pass these audits before they can obtain a radiopharmaceutical investigation permit. The audit team meets with the individual who performs the formulation at the site of drug preparation to verify that drug formulations meet identity, strength, quality, and purity standards; are uniform and reproducible; and are sterile and pyrogen free. This team must contain an expert knowledgeable in the preparation of radioactive drugs; a radiopharmacist is the most qualified person for this role. Problems that have been identified by audits include lack of sterility and apyrogenicity testing, formulations that are open to the laboratory environment, failure to use pharmaceutical-grade chemicals, inadequate quality control methods or records, inadequate training of the person preparing the drug, and improper unit dose preparation. Investigational radiopharmaceutical formulations, including nonradiolabeled drugs, must be audited before they are administered to humans. A properly trained pharmacist should be a member of the audit team

  9. Screening vaccine formulations for biological activity using fresh human whole blood.

    Science.gov (United States)

    Brookes, Roger H; Hakimi, Jalil; Ha, Yukyung; Aboutorabian, Sepideh; Ausar, Salvador F; Hasija, Manvi; Smith, Steven G; Todryk, Stephen M; Dockrell, Hazel M; Rahman, Nausheen

    2014-01-01

    Understanding the relevant biological activity of any pharmaceutical formulation destined for human use is crucial. For vaccine-based formulations, activity must reflect the expected immune response, while for non-vaccine therapeutic agents, such as monoclonal antibodies, a lack of immune response to the formulation is desired. During early formulation development, various biochemical and biophysical characteristics can be monitored in a high-throughput screening (HTS) format. However, it remains impractical and arguably unethical to screen samples in this way for immunological functionality in animal models. Furthermore, data for immunological functionality lag formulation design by months, making it cumbersome to relate back to formulations in real-time. It is also likely that animal testing may not accurately reflect the response in humans. For a more effective formulation screen, a human whole blood (hWB) approach can be used to assess immunological functionality. The functional activity relates directly to the human immune response to a complete formulation (adjuvant/antigen) and includes adjuvant response, antigen response, adjuvant-modulated antigen response, stability, and potentially safety. The following commentary discusses the hWB approach as a valuable new tool to de-risk manufacture, formulation design, and clinical progression.

  10. A constrained maximization formulation to analyze deformation of fiber reinforced elastomeric actuators

    Science.gov (United States)

    Singh, Gaurav; Krishnan, Girish

    2017-06-01

    Fiber reinforced elastomeric enclosures (FREEs) are soft and smart pneumatic actuators that deform in a predetermined fashion upon inflation. This paper analyzes the deformation behavior of FREEs by formulating a simple calculus of variations problem that involves constrained maximization of the enclosed volume. The model accurately captures the deformed shape for FREEs with any general fiber angle orientation, and its relation with actuation pressure, material properties and applied load. First, the accuracy of the model is verified with existing literature and experiments for the popular McKibben pneumatic artificial muscle actuator with two equal and opposite families of helically wrapped fibers. Then, the model is used to predict and experimentally validate the deformation behavior of novel rotating-contracting FREEs, for which no prior literature exist. The generality of the model enables conceptualization of novel FREEs whose fiber orientations vary arbitrarily along the geometry. Furthermore, the model is deemed to be useful in the design synthesis of fiber reinforced elastomeric actuators for general axisymmetric desired motion and output force requirement.

  11. XML-based formulation of field theoretical models. A proposal for a future standard and data base for model storage, exchange and cross-checking of results

    International Nuclear Information System (INIS)

    Demichev, A.; Kryukov, A.; Rodionov, A.

    2002-01-01

    We propose an XML-based standard for formulation of field theoretical models. The goal of creation of such a standard is to provide a way for an unambiguous exchange and cross-checking of results of computer calculations in high energy physics. At the moment, the suggested standard implies that models under consideration are of the SM or MSSM type (i.e., they are just SM or MSSM, their submodels, smooth modifications or straightforward generalizations). (author)

  12. Mathematical and Computational Aspects Related to Soil Modeling and Simulation

    Science.gov (United States)

    2017-09-26

    and simulation challenges at the interface of applied math (homogenization, handling of discontinuous behavior, discrete vs. continuum representations...topics: a) Visco-elasto-plastic continuum models of geo-surface materials b) Discrete models of geo-surface materials (rocks/gravel/sand) c) Mixed...continuum- discrete representations. Coarse-graining and fine-graining mathematical formulations d) Multi-physics aspects related to the modeling of

  13. Evaluation of the stomatal conductance formulation in the EMEP ozone deposition model for Picea abies

    Science.gov (United States)

    Wieser, G.; Emberson, L. D.

    It is widely acknowledged that the possible impacts of ozone on forest trees are more closely related to ozone flux through the stomata than to external ozone exposure. However, the application of the flux approach on a European scale requires the availability of appropriate models, such as the European Monitoring and Evaluation Programme (EMEP) ozone deposition model, for estimating ozone flux and cumulative ozone uptake. Within this model stomatal conductance is the key variable, since it determines the amount of ozone absorbed by the leaves. This paper describes the suitability of the existing EMEP ozone deposition model parameterisation and formulation to represent stomatal behaviour determined from field measurements on adult Norway spruce ( Picea abies (L.) Karst.) trees in the Central European Alps. Parameters affecting maximum stomatal conductance (e.g. seasonal phenology, needle position, needle age, nutrient deficiency and ozone itself) and stomatal response functions to temperature, irradiance, vapour pressure deficit, and soil water content are investigated. Finally, current limitations and possible alterations of the EMEP model will be discussed with respect to spatial scales of available input data for future flux modelling.

  14. Material model validation for laser shock peening process simulation

    International Nuclear Information System (INIS)

    Amarchinta, H K; Grandhi, R V; Langer, K; Stargel, D S

    2009-01-01

    Advanced mechanical surface enhancement techniques have been used successfully to increase the fatigue life of metallic components. These techniques impart deep compressive residual stresses into the component to counter potentially damage-inducing tensile stresses generated under service loading. Laser shock peening (LSP) is an advanced mechanical surface enhancement technique used predominantly in the aircraft industry. To reduce costs and make the technique available on a large-scale basis for industrial applications, simulation of the LSP process is required. Accurate simulation of the LSP process is a challenging task, because the process has many parameters such as laser spot size, pressure profile and material model that must be precisely determined. This work focuses on investigating the appropriate material model that could be used in simulation and design. In the LSP process material is subjected to strain rates of 10 6  s −1 , which is very high compared with conventional strain rates. The importance of an accurate material model increases because the material behaves significantly different at such high strain rates. This work investigates the effect of multiple nonlinear material models for representing the elastic–plastic behavior of materials. Elastic perfectly plastic, Johnson–Cook and Zerilli–Armstrong models are used, and the performance of each model is compared with available experimental results

  15. Significance of Strain in Formulation in Theory of Solid Mechanics

    Science.gov (United States)

    Patnaik, Surya N.; Coroneos, Rula M.; Hopkins, Dale A.

    2003-01-01

    The basic theory of solid mechanics was deemed complete circa 1860 when St. Venant provided the strain formulation or the field compatibility condition. The strain formulation was incomplete. The missing portion has been formulated and identified as the boundary compatibility condition (BCC). The BCC, derived through a variational formulation, has been verified through integral theorem and solution of problems. The BCC, unlike the field counterpart, do not trivialize when expressed in displacements. Navier s method and the stiffness formulation have to account for the extra conditions especially at the inter-element boundaries in a finite element model. Completion of the strain formulation has led to the revival of the direct force calculation methods: the Integrated Force Method (IFM) and its dual (IFMD) for finite element analysis, and the completed Beltrami-Michell formulation (CBMF) in elasticity. The benefits from the new methods in elasticity, in finite element analysis, and in design optimization are discussed. Existing solutions and computer codes may have to be adjusted for the compliance of the new conditions. Complacency because the discipline is over a century old and computer codes have been developed for half a century can lead to stagnation of the discipline.

  16. Constitutive Modelling of Resins in the Compliance Domain

    Science.gov (United States)

    Klasztorny, M.

    2004-07-01

    A rheological HWKK/H model for resins is developed taking into consideration the up-to-date analyses of experimental results. Constitutive compliance equations of linear are formulated for this model in the shear/bulk form, which describes, among other things, the first-rank reversible isothermal creep. The shear (distorsional) deformations are simulated with three independent stress history functions of fractional and normal exponential types. The volume deformations are simulated as perfectly elastic. The model is described by two elastic and six viscoelastic constants, namely three long-term creep coefficients and three retardation times. The constitutive compliance equations of viscoealsticity for resins are also formulated in the coupled form. Formulae for converting the constants of shear/bulk (uncoupled) viscoelasticity into the constants of coupled viscoelasticity are given too. An algorithm for identifying the material constants, based on the creep of uniaxially tensioned bar samples, is formulated in a way that gives unique results. The material constants are fiund for Epidian 53 epoxy and Polimal 109 polyester resins. The creep processes, simulated based on the experimental data, are presented graphically for both the resins examined.

  17. Numerical simulation of mechanical behavior of composite materials

    CERN Document Server

    Oller, Sergio

    2014-01-01

    An original mechanical formulation to treat nonlinear orthotropic behavior of composite materials is presented in this book. It also examines different formulations that allow us to evaluate the behavior of composite materials through the composition of its components, obtaining a new composite material. Also two multiple scale homogenization methods are given, one based on the analytical study of the cells (Ad-hoc homogenization), and other one, more general based on the finite element procedure applied on the macro scale (upper-scale) and in the micro scale (sub-scale). A very general formulation to simulate the mechanical behavior for traditional composite structures (plywood, reinforced concrete, masonry, etc.), as well as the new composite materials reinforced with long and short fibers, nanotubes, etc., are also shown in this work. Typical phenomena occurring in composite materials are also described in this work, including fiber-matrix debounding, local buckling of fibers and its coupling with the over...

  18. Anti-inflammatory and Antihistaminic Study of a Unani Eye Drop Formulation.

    Science.gov (United States)

    Abdul, Latif; Abdul, Razique; Sukul, R R; Nazish, Siddiqui

    2010-01-01

    The Unani eye drop is an ophthalmic formulation prepared for its beneficial effects in the inflammatory and allergic conditions of the eyes. In the present study, the Unani eye drop formulation was prepared and investigated for its anti-inflammatory and antihistaminic activity, using in vivo and in vitro experimental models respectively. The Unani eye drop formulation exhibited significant anti-inflammatory activity in turpentine liniment-induced ocular inflammation in rabbits. The preparation also showed antihistaminic activity in isolated guinea-pig ileum. The anti-inflammatory and antihistaminic activity of eye drop may be due to presence of active ingredients in the formulation. Although there are many drugs in Unani repository which are mentioned in classical books or used in Unani clinical practice effectively in treatment of eye diseases by various Unani physicians. Inspite of the availability of vast literature, there is a dearth of commercial Unani ocular preparations. So, keeping this in mind, the eye drop formulation was prepared and its anti-inflammatory and antihistaminic activity was carried out in animal models. Thus, in view of the importance of alternative anti-inflammatory and antiallergic drugs, it becomes imperative to bring these indigenous drugs to the front foot and evaluate their activities.

  19. Interlaboratory validation of 1% pluronic l92 surfactant as a suitable, aqueous vehicle for testing pesticide formulations using the murine local lymph node assay.

    Science.gov (United States)

    Boverhof, Darrell R; Wiescinski, Connie M; Botham, Phil; Lees, David; Debruyne, Eric; Repetto-Larsay, Marina; Ladics, Gregory; Hoban, Denise; Gamer, Armin; Remmele, Marina; Wang-Fan, Weizheng; Ullmann, Ludwig G; Mehta, Jyotigna; Billington, Richard; Woolhiser, Michael R

    2008-09-01

    The mouse local lymph node assay (LLNA) has become the preferred test for evaluating the dermal sensitization potential of chemicals and requirements are now emerging for its use in the evaluation of their formulated products, especially in the European Union. However, despite its widespread use and extensive validation, the use of this assay for directly testing mixtures and formulated products has been questioned, which could lead to repeat testing using multiple animal models. As pesticide formulations are typically a specific complex blend of chemicals for use as aqueous-based dilutions, traditional vehicles prescribed for the LLNA may change the properties of these formulations leading to inaccurate test results and hazard identification. The objective of this study was to evaluate the effectiveness of an aqueous solution of Pluronic L92 block copolymer surfactant (L92) as a vehicle in the mouse LLNA across five laboratories. Three chemicals with known sensitization potential and four pesticide formulations for which the sensitization potential in guinea pigs and/or humans had previously been assessed were used. Identical LLNA protocols and test materials were used in the evaluation. Assessment of the positive control chemicals, hexylcinnamaldehyde, formaldehyde, and potassium dichromate revealed positive results when using 1% aqueous L92 as the vehicle. Furthermore, results for these chemicals were reproducible among the five laboratories and demonstrated consistent relative potency determinations. The four pesticide formulations diluted in 1% aqueous L92 also demonstrated reproducible results in the LLNA among the five laboratories. Results for these test materials were also consistent with those generated previously using guinea pigs or from human experience. These data support testing aqueous compatible chemicals or pesticide formulations using the mouse LLNA, and provide additional support for the use of 1% aqueous L92 as a suitable, aqueous-based vehicle.

  20. Trigger chemistries for better industrial formulations.

    Science.gov (United States)

    Wang, Hsuan-Chin; Zhang, Yanfeng; Possanza, Catherine M; Zimmerman, Steven C; Cheng, Jianjun; Moore, Jeffrey S; Harris, Keith; Katz, Joshua S

    2015-04-01

    In recent years, innovations and consumer demands have led to increasingly complex liquid formulations. These growing complexities have provided industrial players and their customers access to new markets through product differentiation, improved performance, and compatibility/stability with other products. One strategy for enabling more complex formulations is the use of active encapsulation. When encapsulation is employed, strategies are required to effect the release of the active at the desired location and time of action. One particular route that has received significant academic research effort is the employment of triggers to induce active release upon a specific stimulus, though little has translated for industrial use to date. To address emerging industrial formulation needs, in this review, we discuss areas of trigger release chemistries and their applications specifically as relevant to industrial use. We focus the discussion on the use of heat, light, shear, and pH triggers as applied in several model polymeric systems for inducing active release. The goal is that through this review trends will emerge for how technologies can be better developed to maximize their value through industrial adaptation.

  1. Optimization of formulation and processing of Moringa oleifera and spirulina complex tablets.

    Science.gov (United States)

    Zheng, Yi; Zhu, Fan; Lin, Dan; Wu, Jun; Zhou, Yichao; Mark, Bohn

    2017-01-01

    Objective: To prepare a more comprehensive nutrition, more balanced proportion of natural nutritional supplement tablets with Moringa oleifera leaves and spirulina the two nutrients which have complementary natural food ingredients. Method: On the basis of research M. oleifera leaves with spirulina nutrient composition was determined on M. oleifera leaves and spirulina ratio of raw materials, and the choice of microcrystalline cellulose, sodium salt of caboxy methyl cellulose(CMC),magnesium stearate excipient, through single factor and orthogonal experiment, selecting the best formula tablets prepared by powder direct compression technology, for preparation of M. oleifera and spirulina complex tablets. Results: The best ratio of raw material for the M. oleifera leaves powder: spirulina powder was 7:3, the best raw materials for the tablet formulation was 88.5%, 8.0% microcrystalline cellulose, CMC 2.0%, stearin magnesium 1.5%, the optimum parameters for the raw material crushing 200-300 mesh particle size, moisture content of 7%, tableting pressure 40 kN. Conclusion: Through formulation and process optimization, we can prepare more comprehensive and balanced nutrition M. oleifera and spirulina complex tablets, its sheet-shaped appearance, piece weight variation, hardness, friability, disintegration and other indicators have reached the appropriate quality requirements.

  2. Numerical modeling of materials under extreme conditions

    CERN Document Server

    Brown, Eric

    2014-01-01

    The book presents twelve state of the art contributions in the field of numerical modeling of materials subjected to large strain, high strain rates, large pressure and high stress triaxialities, organized into two sections. The first part is focused on high strain rate-high pressures such as those occurring in impact dynamics and shock compression related phenomena, dealing with material response identification, advanced modeling incorporating microstructure and damage, stress waves propagation in solids and structures response under impact. The latter part is focused on large strain-low strain rates applications such as those occurring in technological material processing, dealing with microstructure and texture evolution, material response at elevated temperatures, structural behavior under large strain and multi axial state of stress.

  3. Numerical modeling in materials science and engineering

    CERN Document Server

    Rappaz, Michel; Deville, Michel

    2003-01-01

    This book introduces the concepts and methodologies related to the modelling of the complex phenomena occurring in materials processing. After a short reminder of conservation laws and constitutive relationships, the authors introduce the main numerical methods: finite differences, finite volumes and finite elements. These techniques are developed in three main chapters of the book that tackle more specific problems: phase transformation, solid mechanics and fluid flow. The two last chapters treat inverse methods to obtain the boundary conditions or the material properties and stochastic methods for microstructural simulation. This book is intended for undergraduate and graduate students in materials science and engineering, mechanical engineering and physics and for engineering professionals or researchers who want to get acquainted with numerical simulation to model and compute materials processing.

  4. Energy policy formulation for Pakistan

    International Nuclear Information System (INIS)

    Riaz, T.

    1981-01-01

    Pakistan is a low income, low energy consumption country. In view of the close interdependence between economic growth and energy consumption, she will need increasing energy supplies in order to maintain her economic growth. This paper develops an energy sector optimization model for the Pakistan economy, which consists of production models for five energy industries, ie oil, gas, coal, electricity (including electricity generated in nuclear power plants) and non-commercial fuels. The model is first used to forecast energy balances for the period 1975 - 2006. The model is then employed to formulate a long-term comprehensive energy policy for Pakistan. Finally the suggested policy is compared with the current official energy programme. (author)

  5. Fracture of functionally graded materials: application to hydrided zircaloy

    International Nuclear Information System (INIS)

    Perales, F.

    2005-12-01

    This thesis is devoted to the dynamic fracture of functionally graded materials. More particularly, it deals with the toughness of nuclear cladding at high burnup submitted to transient loading. The fracture is studied at local scale using cohesive zone model in a multi body approach. Cohesive zone models include frictional contact to take into account mixed mode fracture. Non smooth dynamics problems are treated within the Non-Smooth Contact Dynamics framework. A multi scale study is necessary because of the dimension of the clad. At microscopic scale, the effective properties of surface law, between each body, are obtained by periodic numerical homogenization. A two fields Finite Element formulation is so written. An extended formulation of the NSCD framework is obtained. The associated software allows to simulate, in finite deformation, from the crack initiation to post-fracture behavior in heterogeneous materials. At microscopic scale, random RVE calculations are made to determine effective properties. At macroscopic scale, calculations of part of clad are made to determine the role of the mean hydrogen concentration and gradient of hydrogen parameters in the toughness of the clad under dynamic loading. (author)

  6. A Beddoes-Leishman type dynamic stall model in state-space and indicial formulations[Wind turbines

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, M.H.; Gaunaa, M.; Aagaard Madsen, H.

    2004-06-01

    This report contains a description of a Beddoes-Leishman type dynamic stall model in both a state-space and an indicial function formulation. The m odel predicts the unsteady aerodynamic foreces and moment on an airfoil section undergoing arbitrary motion in heavy, lead-lag, and pitch. The model includes the effects of shed vorticity from the trailing edge (Theodorsen Theory), and the effects of an instationary trailing edge separation point. The governing equations of the model are nonlinear, and they are linearized about a steady state for application in stability analyzes. A validation is carried out by comparing the response of the model with inviscid solutions and observing the general behavior of the model using known airfoil data as input. The proposed dyanmic model gives results identical to inviscid solutions within the attached-flow region; and it exhibits the expected dynamic features, such as overshoot of the lift, in the stall region. The linearized model is shown to give identical results to the full model for small amplitude oscillations. furthermore, it is shown that the response of finite thickness airfoils can be reproduced to a high accuracy by the use of specific inviscid response functions. (au)

  7. An ayurvedic formulation Sankat Mochan: A potent anthelmintic medicine

    Directory of Open Access Journals (Sweden)

    Khomendra Kumar Sarwa

    2017-01-01

    Full Text Available Aim and Object: Sankat Mochan is an ayurvedic formulation used in the urban and rural area of India. This polyherbal formulation is used for general stomach problems including abdominal cramping and diarrhea. The present investigation evaluated the anthelmintic activity of an aqueous solution of an ayurvedic medicine Sankat Mochan. Materials and Method: Various concentrations (1%, 5%, and 10% of medicine were used for anthelmintic activity on Pheretima posthuma. Piperazine citrate (10 mg/ml was used as a reference standard and distilled water as a control. Result and Conclusion: The result showed that the Sankat Mochan possess anthelmintic activity more potent than that of piperazine citrate. Thus, Sankat Mochan may be used as a potent anthelmintic agent against helminthiasis.

  8. Path integral formulation and Feynman rules for phylogenetic branching models

    Energy Technology Data Exchange (ETDEWEB)

    Jarvis, P D; Bashford, J D; Sumner, J G [School of Mathematics and Physics, University of Tasmania, GPO Box 252C, 7001 Hobart, TAS (Australia)

    2005-11-04

    A dynamical picture of phylogenetic evolution is given in terms of Markov models on a state space, comprising joint probability distributions for character types of taxonomic classes. Phylogenetic branching is a process which augments the number of taxa under consideration, and hence the rank of the underlying joint probability state tensor. We point out the combinatorial necessity for a second-quantized, or Fock space setting, incorporating discrete counting labels for taxa and character types, to allow for a description in the number basis. Rate operators describing both time evolution without branching, and also phylogenetic branching events, are identified. A detailed development of these ideas is given, using standard transcriptions from the microscopic formulation of non-equilibrium reaction-diffusion or birth-death processes. These give the relations between stochastic rate matrices, the matrix elements of the corresponding evolution operators representing them, and the integral kernels needed to implement these as path integrals. The 'free' theory (without branching) is solved, and the correct trilinear 'interaction' terms (representing branching events) are presented. The full model is developed in perturbation theory via the derivation of explicit Feynman rules which establish that the probabilities (pattern frequencies of leaf colourations) arising as matrix elements of the time evolution operator are identical with those computed via the standard analysis. Simple examples (phylogenetic trees with two or three leaves), are discussed in detail. Further implications for the work are briefly considered including the role of time reparametrization covariance.

  9. Path integral formulation and Feynman rules for phylogenetic branching models

    International Nuclear Information System (INIS)

    Jarvis, P D; Bashford, J D; Sumner, J G

    2005-01-01

    A dynamical picture of phylogenetic evolution is given in terms of Markov models on a state space, comprising joint probability distributions for character types of taxonomic classes. Phylogenetic branching is a process which augments the number of taxa under consideration, and hence the rank of the underlying joint probability state tensor. We point out the combinatorial necessity for a second-quantized, or Fock space setting, incorporating discrete counting labels for taxa and character types, to allow for a description in the number basis. Rate operators describing both time evolution without branching, and also phylogenetic branching events, are identified. A detailed development of these ideas is given, using standard transcriptions from the microscopic formulation of non-equilibrium reaction-diffusion or birth-death processes. These give the relations between stochastic rate matrices, the matrix elements of the corresponding evolution operators representing them, and the integral kernels needed to implement these as path integrals. The 'free' theory (without branching) is solved, and the correct trilinear 'interaction' terms (representing branching events) are presented. The full model is developed in perturbation theory via the derivation of explicit Feynman rules which establish that the probabilities (pattern frequencies of leaf colourations) arising as matrix elements of the time evolution operator are identical with those computed via the standard analysis. Simple examples (phylogenetic trees with two or three leaves), are discussed in detail. Further implications for the work are briefly considered including the role of time reparametrization covariance

  10. Probabilistic Modelling of Timber Material Properties

    DEFF Research Database (Denmark)

    Nielsen, Michael Havbro Faber; Köhler, Jochen; Sørensen, John Dalsgaard

    2001-01-01

    The probabilistic modeling of timber material characteristics is considered with special emphasis to the modeling of the effect of different quality control and selection procedures used as means for grading of timber in the production line. It is shown how statistical models may be established...... on the basis of the same type of information which is normally collected as a part of the quality control procedures and furthermore, how the efficiency of different control procedures may be compared. The tail behavior of the probability distributions of timber material characteristics play an important role...... such that they may readily be applied in structural reliability analysis and the format appears to be appropriate for codification purposes of quality control and selection for grading procedures...

  11. [New research on the significance of polymers in pharmaceutical formulations].

    Science.gov (United States)

    Amighi, K

    2001-01-01

    During these last few decades, a lot of work has been made in pharmaceutical area in order to control the drug delivery from various pharmaceutical dosage forms. The use of polymers in pharmaceutical technology have led to the development of the first drug delivery systems proposed in order to prolong or to delay the drug delivery, or to enhance drug release for drugs showing bioavailability shortcomings. The wide range of polymers available for pharmaceutical use, their low reactivity towards drugs and other formulation ingredients and their safe nature, have permitted a widespread use of polymers to improve manufacturing processes or for the formulation of pharmaceutical dosage forms for various administration routes. More over, the preparation of new polymeric materials by the synthesis of new polymers with unique properties or by the modification of available natural or synthetic polymers, offer to the formulator a wide range of applications in order to optimise the drug delivery for each specific case.

  12. Skin decontamination cream for radiological contaminants: Formulation development and evaluation.

    Science.gov (United States)

    Khan, Abdul Wadood; Kotta, Sabna; Rana, Sudha; Ansari, Shahid Husain; Sharma, Rakesh Kumar; Ali, Javed

    2013-01-01

    Increased use of the radioactive materials in the field of research, medical, nuclear power plant, and industry has increased the risk of accidental exposure. Intentional use of the radioisotopes by terrorist organizations could cause exposure/contamination of a number of the population. In view of the accidental contamination, there is a need to develop self-usable decontamination formulations that could be used immediately after contamination is suspected. Present work was planned to optimize and develop self-usable radiation decontamination cream formulation. Various pharmaceutical parameters were characterized. (99m)Tc-sodium pertechnetate was used as radiocontaminant. Static counts were recorded before and after decontamination using single photon emission computed tomography. Decontamination efficacy of the cream was found to be 42% ± 3% at 0-0.5 h after the exposure. Primary skin irritancy test was satisfactory as no erythema or edema was observed visually after 2 weeks of the formulation application. The decontamination studies proved the potential of EDTA to remove the radiological contaminants effectively.

  13. Density functional theory and pseudopotentials: A panacea for calculating properties of materials

    International Nuclear Information System (INIS)

    Cohen, M.L.; Lawrence Berkeley Lab., CA

    1995-09-01

    Although the microscopic view of solids is still evolving, for a large class of materials one can construct a useful first-principles or ''Standard Model'' of solids which is sufficiently robust to explain and predict many physical properties. Both electronic and structural properties can be studied and the results of the first-principles calculations can be used to predict new materials, formulate empirical theories and simple formulae to compute material parameters, and explain trends. A discussion of the microscopic approach, applications, and empirical theories is given here, and some recent results on nanotubes, hard materials, and fullerenes are presented

  14. Destruction of pesticides and their formulations in water using short wavelength UV light

    International Nuclear Information System (INIS)

    Peterson, D.; Watson, D.; Winterlin, W.

    1990-01-01

    The presence of toxic materials in surface and ground water is a problem of growing significance. Increasingly, toxic anthropogenic chemicals are being detected in water supplies resulting in public concern and regulatory restrictions. Clearly, there is a need to develop methods to decontaminate not only drinking water supplies, but also the sources of contamination. Decontamination of water poses economic and logistical challenges since the pollutants are usually present in low concentrations and distributed over a wide area. A number of strategies have been proposed and tested to destroy toxic materials in water. In this study, the authors examined the effectiveness of a photoreactor equipped with a high pressure mercury vapor lamp for the destruction of three pesticides and the inert ingredient m-xylene in water. Captan, chlordane, PCNB, and m-xylene in aqueous solutions were selected as model compounds for this study based on their use, resistance to UV degradation, and potential presence in formulated pesticide materials. The factors that influence the performance of the system were investigated

  15. Validation of flexible multibody dynamics beam formulations using benchmark problems

    Energy Technology Data Exchange (ETDEWEB)

    Bauchau, Olivier A., E-mail: obauchau@umd.edu [University of Maryland (United States); Betsch, Peter [Karlsruhe Institute of Technology (Germany); Cardona, Alberto [CIMEC (UNL/Conicet) (Argentina); Gerstmayr, Johannes [Leopold-Franzens Universität Innsbruck (Austria); Jonker, Ben [University of Twente (Netherlands); Masarati, Pierangelo [Politecnico di Milano (Italy); Sonneville, Valentin [Université de Liège (Belgium)

    2016-05-15

    As the need to model flexibility arose in multibody dynamics, the floating frame of reference formulation was developed, but this approach can yield inaccurate results when elastic displacements becomes large. While the use of three-dimensional finite element formulations overcomes this problem, the associated computational cost is overwhelming. Consequently, beam models, which are one-dimensional approximations of three-dimensional elasticity, have become the workhorse of many flexible multibody dynamics codes. Numerous beam formulations have been proposed, such as the geometrically exact beam formulation or the absolute nodal coordinate formulation, to name just two. New solution strategies have been investigated as well, including the intrinsic beam formulation or the DAE approach. This paper provides a systematic comparison of these various approaches, which will be assessed by comparing their predictions for four benchmark problems. The first problem is the Princeton beam experiment, a study of the static large displacement and rotation behavior of a simple cantilevered beam under a gravity tip load. The second problem, the four-bar mechanism, focuses on a flexible mechanism involving beams and revolute joints. The third problem investigates the behavior of a beam bent in its plane of greatest flexural rigidity, resulting in lateral buckling when a critical value of the transverse load is reached. The last problem investigates the dynamic stability of a rotating shaft. The predictions of eight independent codes are compared for these four benchmark problems and are found to be in close agreement with each other and with experimental measurements, when available.

  16. Application of gamma irradiation for incorporation of rubber powder in the formulations EPDM and NBR rubber

    International Nuclear Information System (INIS)

    Kiyan, Ludmila de Ysasa Pozzo

    2014-01-01

    The natural decomposition of rubber is a very slow process due to its three-dimensional network formed by vulcanized crosslinked structures becoming extremely difficult to reprocess this material. The present work aims to study the application of gamma irradiation as devulcanization process for material reuse/recycling. The interactions of elastomers with ionizing radiation of a gamma source were investigated and the changes in physicochemical properties of the materials were evaluated. Formulations of NBR (acrylonitrile - butadiene) and EPDM (ethylene - propylene - diene terpolymer) from the rubber industry were crosslinked by conventional sulfur-based mixing. Master - batch was processed with rubber powder (industrial waste) and virgin rubber. The raw material (master batch) was irradiated in 60 Co source at doses of 50, 100, 150 kGy and dose rate of 5 kGy h -1 at room temperature. The irradiated material was incorporated in classical sulfur-based formulations. The formulations were characterized by: infrared spectroscopy (FTIR), thermal analysis (TG and DTG), tensile strength, elongation at break, hardness, abrasion resistance, rheometry and swelling. The results showed a predominance of chain scission at a dose of 50 kGy for EPDM rubber. For nitrile predominance of chain scission was observed at a dose of 100 kGy. These results show the possibility of the use of gamma radiation for the reuse/recycling of EPDM and nitrile rubbers. (author)

  17. Strain Rate Dependant Material Model for Orthotropic Metals

    International Nuclear Information System (INIS)

    Vignjevic, Rade

    2016-01-01

    In manufacturing processes anisotropic metals are often exposed to the loading with high strain rates in the range from 10"2 s"-"1 to 10"6 s"-"1 (e.g. stamping, cold spraying and explosive forming). These types of loading often involve generation and propagation of shock waves within the material. The material behaviour under such a complex loading needs to be accurately modelled, in order to optimise the manufacturing process and achieve appropriate properties of the manufactured component. The presented research is related to development and validation of a thermodynamically consistent physically based constitutive model for metals under high rate loading. The model is capable of modelling damage, failure and formation and propagation of shock waves in anisotropic metals. The model has two main parts: the strength part which defines the material response to shear deformation and an equation of state (EOS) which defines the material response to isotropic volumetric deformation [1]. The constitutive model was implemented into the transient nonlinear finite element code DYNA3D [2] and our in house SPH code. Limited model validation was performed by simulating a number of high velocity material characterisation and validation impact tests. The new damage model was developed in the framework of configurational continuum mechanics and irreversible thermodynamics with internal state variables. The use of the multiplicative decomposition of deformation gradient makes the model applicable to arbitrary plastic and damage deformations. To account for the physical mechanisms of failure, the concept of thermally activated damage initially proposed by Tuller and Bucher [3], Klepaczko [4] was adopted as the basis for the new damage evolution model. This makes the proposed damage/failure model compatible with the Mechanical Threshold Strength (MTS) model Follansbee and Kocks [5], 1988; Chen and Gray [6] which was used to control evolution of flow stress during plastic

  18. Overhead longwave infrared hyperspectral material identification using radiometric models

    Energy Technology Data Exchange (ETDEWEB)

    Zelinski, M. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2018-01-09

    Material detection algorithms used in hyperspectral data processing are computationally efficient but can produce relatively high numbers of false positives. Material identification performed as a secondary processing step on detected pixels can help separate true and false positives. This paper presents a material identification processing chain for longwave infrared hyperspectral data of solid materials collected from airborne platforms. The algorithms utilize unwhitened radiance data and an iterative algorithm that determines the temperature, humidity, and ozone of the atmospheric profile. Pixel unmixing is done using constrained linear regression and Bayesian Information Criteria for model selection. The resulting product includes an optimal atmospheric profile and full radiance material model that includes material temperature, abundance values, and several fit statistics. A logistic regression method utilizing all model parameters to improve identification is also presented. This paper details the processing chain and provides justification for the algorithms used. Several examples are provided using modeled data at different noise levels.

  19. Exactly solvable models of material breakdown

    International Nuclear Information System (INIS)

    Duxbury, P.M.; Leath, P.L.

    1994-01-01

    We present the solutions to two simple models for the brittle failure of materials containing random flaws. These solutions provide support for simple scaling theories we had previously developed for more complex models, and refute recent claims that models with random dilution scale in a manner similar to a disorderless material. In particular, we find that for these models, the asymptotic size effect in the average strength is logarithmic, and the failure distribution is of an exponential of an exponential form (often with an algebraic prefactor). The method of solution is also interesting. The failure probability of the quasi-one-dimensional models we solve can be written in terms of a transition matrix introduced by Harlow. For large sample sizes, the largest eigenvalue of this transition matrix approaches one, and our solution rests on a perturbative expansion of the largest eigenvalue about one. The small and intermediate lattice behavior of the model is analyzed by using sparse matrix methods to find the largest eigenvalue of the transition matrix, and the trace of powers of the transition matrix

  20. An Entropy-Assisted Shielding Function in DDES Formulation for the SST Turbulence Model

    Directory of Open Access Journals (Sweden)

    Ling Zhou

    2017-02-01

    Full Text Available The intent of shielding functions in delayed detached-eddy simulation methods (DDES is to preserve the wall boundary layers as Reynolds-averaged Navier–Strokes (RANS mode, avoiding possible modeled stress depletion (MSD or even unphysical separation due to grid refinement. An entropy function fs is introduced to construct a DDES formulation for the k-ω shear stress transport (SST model, whose performance is extensively examined on a range of attached and separated flows (flat-plate flow, circular cylinder flow, and supersonic cavity-ramp flow. Two more forms of shielding functions are also included for comparison: one that uses the blending function F2 of SST, the other which adopts the recalibrated shielding function fd_cor of the DDES version based on the Spalart-Allmaras (SA model. In general, all of the shielding functions do not impair the vortex in fully separated flows. However, for flows including attached boundary layer, both F2 and the recalibrated fd_cor are found to be too conservative to resolve the unsteady flow content. On the other side, fs is proposed on the theory of energy dissipation and independent on from any particular turbulence model, showing the generic priority by properly balancing the need of reserving the RANS modeled regions for wall boundary layers and generating the unsteady turbulent structures in detached areas.

  1. Application of reject of gypsum from Trindade/PE in ceramic masses formulations

    International Nuclear Information System (INIS)

    Lima, Thalles Confessor de; Souza, Marcondes Mendes de; Almeida, Ana Beatriz Dantas de; Farias, Debora Santos Umbelino de; Nobrega, Luiz Felipe Pereira de Medeiros; Mendes, Luciana Bezerra

    2016-01-01

    The mining industry is a major producer of waste is to be harmful to the environment besides not being made possible for use in producing means, since the product of economic interest has been extracted. In order to reduce this problem, this work shows the characterization of the waste generated by gypsum mining in Trindade/PE in the ceramic coating. The residue was collected, ground and sieved to #200, then was chemically characterized by XRF analysis process, to evaluate its potential to be incorporated into the formulation of ceramic material, the material studied can be used in porcelain tile formulation as a flux element for that were obtained in the laboratory ceramic bodies adding the residue then were performed physical testing of linear shrinkage, water absorption and flexural breaking strain technically order to evaluate the addition of this residue ceramic coating. (author)

  2. A New Approach for Modeling Darrieus-Type Vertical Axis Wind Turbine Rotors Using Electrical Equivalent Circuit Analogy: Basis of Theoretical Formulations and Model Development

    Directory of Open Access Journals (Sweden)

    Pierre Tchakoua

    2015-09-01

    Full Text Available Models are crucial in the engineering design process because they can be used for both the optimization of design parameters and the prediction of performance. Thus, models can significantly reduce design, development and optimization costs. This paper proposes a novel equivalent electrical model for Darrieus-type vertical axis wind turbines (DTVAWTs. The proposed model was built from the mechanical description given by the Paraschivoiu double-multiple streamtube model and is based on the analogy between mechanical and electrical circuits. This work addresses the physical concepts and theoretical formulations underpinning the development of the model. After highlighting the working principle of the DTVAWT, the step-by-step development of the model is presented. For assessment purposes, simulations of aerodynamic characteristics and those of corresponding electrical components are performed and compared.

  3. Volumetric formulation of lattice Boltzmann models with energy conservation

    OpenAIRE

    Sbragaglia, M.; Sugiyama, K.

    2010-01-01

    We analyze a volumetric formulation of lattice Boltzmann for compressible thermal fluid flows. The velocity set is chosen with the desired accuracy, based on the Gauss-Hermite quadrature procedure, and tested against controlled problems in bounded and unbounded fluids. The method allows the simulation of thermohydrodyamical problems without the need to preserve the exact space-filling nature of the velocity set, but still ensuring the exact conservation laws for density, momentum and energy. ...

  4. Contemporary formulation and distribution practices for cold-filled acid products: Australian industry survey and modeling of published pathogen inactivation data.

    Science.gov (United States)

    Chapman, B; Scurrah, K J; Ross, T

    2010-05-01

    A survey of 12 Australian manufacturers indicated that mild-tasting acids and preservatives are used to partially replace acetic acid in cold-filled acid dressings and sauces. In contrast to traditional ambient temperature distribution practices, some manufacturers indicated that they supply the food service sector with cold-filled acid products prechilled for incorporation into ready-to-eat foods. The Comité des Industries des Mayonnaises et Sauces Condimentaires de la Communauté Economique Européenne (CIMSCEE) Code, a formulation guideline used by the industry to predict the safety of cold-filled acid formulations with respect to Salmonella enterica and Escherichia coli, does not extend to the use of acids and preservatives other than acetic acid nor does it consider the effects of chill distribution. We found insufficient data in the published literature to comprehensively model the response of S. enterica and E. coli to all of the predictor variables (i.e., pH, acetic acid, NaCl, sugars, other acids, preservatives, and storage temperature) of relevance for contemporary cold-filled acid products in Australia. In particular, we noted a lack of inactivation data for S. enterica at aqueous-phase NaCl concentrations of >3% (wt/wt). However, our simple models clearly identified pH and 1/absolute temperature of storage as the most important variables generally determining inactivation. To develop robust models to predict the effect of contemporary formulation and storage variables on product safety, additional empirical data are required. Until such models are available, our results support challenge testing of cold-filled acid products to ascertain their safety, as suggested by the CIMSCEE, but suggest consideration of challenging with both E. coli and S. enterica at incubation temperatures relevant to intended product distribution temperatures.

  5. Revealing the physical insight of a length-scale parameter in metamaterials by exploiting the variational formulation

    Science.gov (United States)

    Abali, B. Emek

    2018-04-01

    For micro-architectured materials with a substructure, called metamaterials, we can realize a direct numerical simulation in the microscale by using classical mechanics. This method is accurate, however, computationally costly. Instead, a solution of the same problem in the macroscale is possible by means of the generalized mechanics. In this case, no detailed modeling of the substructure is necessary; however, new parameters emerge. A physical interpretation of these metamaterial parameters is challenging leading to a lack of experimental strategies for their determination. In this work, we exploit the variational formulation based on action principles and obtain a direct relation between a parameter used in the kinetic energy and a metamaterial parameter in the case of a viscoelastic model.

  6. Connection between microstructure and magnetic properties of soft magnetic materials

    International Nuclear Information System (INIS)

    Bertotti, G.

    2008-01-01

    The magnetic behavior of soft magnetic materials is discussed with some emphasis on the connection between macroscopic properties and underlying micromagnetic energy aspects. It is shown that important conceptual gaps still exist in the interpretation of macroscopic magnetic properties in terms of the micromagnetic formulation. Different aspects of hysteresis modeling, power loss prediction and magnetic non-destructive evaluation are discussed in this perspective

  7. Fundamental study on formulation design of skin care products by modeling of tactile sensation.

    Science.gov (United States)

    Akiyama, Yoko; Mishima, Fumihito; Nishijima, Shigehiro

    2013-01-01

    The objective of this study is to construct a method to quantify and formulate the human tactile sensation. We have tried to indicate the sensory scores of tactile sensation as a combination of the physical values of skin care products. Consequently, the extracted principle factors of the sensory properties could be related to the physical values by multiple regression analysis. For the next step, we investigated the physical mechanism of tactile sensation, and proposed a method to formulate the sensory properties. A method to formulate the sensory properties of skin care products was constructed based on the relation between sensory values, principal factors, physical values and composition. The method was verified by sensory evaluation.

  8. Molecular modeling and multiscaling issues for electronic material applications

    CERN Document Server

    Iwamoto, Nancy; Yuen, Matthew; Fan, Haibo

    Volume 1 : Molecular Modeling and Multiscaling Issues for Electronic Material Applications provides a snapshot on the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand material performance to solve relevant issues in this field. This book is intended to introduce the reader to the evolving role of molecular modeling, especially seen through the eyes of the IEEE community involved in material modeling for electronic applications.  Part I presents  the role that quantum mechanics can play in performance prediction, such as properties dependent upon electronic structure, but also shows examples how molecular models may be used in performance diagnostics, especially when chemistry is part of the performance issue.  Part II gives examples of large-scale atomistic methods in material failure and shows several examples of transitioning between grain boundary simulations (on the atomistic level)and large-scale models including an example ...

  9. Formulation of Extended-Release Metformin Hydrochloride Matrix ...

    African Journals Online (AJOL)

    Methods: Various metformin hydrochloride formulations containing a hydrophobic carrier (stearic acid) and a hydrophilic polymer (polyethylene oxide) were prepared using a 32 factorial design. ... The release data were subjected to various release kinetic models and also compared with those of a commercial brand.

  10. Written case formulations in the treatment of anorexia nervosa: Evidence for therapeutic benefits.

    Science.gov (United States)

    Allen, Karina L; O'Hara, Caitlin B; Bartholdy, Savani; Renwick, Beth; Keyes, Alexandra; Lose, Anna; Kenyon, Martha; DeJong, Hannah; Broadbent, Hannah; Loomes, Rachel; McClelland, Jessica; Serpell, Lucy; Richards, Lorna; Johnson-Sabine, Eric; Boughton, Nicky; Whitehead, Linette; Treasure, Janet; Wade, Tracey; Schmidt, Ulrike

    2016-09-01

    Case formulation is a core component of many psychotherapies and formulation letters may provide an opportunity to enhance the therapeutic alliance and improve treatment outcomes. This study aimed to determine if formulation letters predict treatment satisfaction, session attendance, and symptom reductions in anorexia nervosa (AN). It was hypothesized that higher quality formulation letters would predict greater treatment satisfaction, a greater number of attended sessions, and greater improvement in eating disorder symptoms. Patients were adult outpatients with AN (n = 46) who received Maudsley Anorexia Nervosa Treatment for Adults (MANTRA) in the context of a clinical trial. A Case Formulation Rating Scheme was used to rate letters for adherence to the MANTRA model and use of a collaborative, reflective, affirming stance. Analyses included linear regression and mixed models. Formulation letters that paid attention to the development of the AN predicted greater treatment acceptability ratings (p = 0.002). More reflective and respectful letters predicted greater reductions in Eating Disorder Examination scores (p = 0.003). Results highlight the potential significance of a particular style of written formulation as part of treatment for AN. Future research should examine applicability to other psychiatric disorders. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2016; 49:874-882). © 2016 Wiley Periodicals, Inc.

  11. Colour and spreadability of Neem (Azadirachta Indica A. juss) ointment and cream formulations

    Science.gov (United States)

    Zawiyyah, Azierah; Shamsul Anuar, Mohd

    2018-04-01

    Herbal plants are a major source of raw material for traditional medicines. Recently there has been an increase of interest to study the therapeutic potential of herbal plants as herbal care products. In this study, a preliminary study on the formulation of neem (Azadirachta Indica) ointment and cream have been conducted. The neem leaves were extracted and formulated into ointment and cream. The raw neem extract is added into the ointment and cream bases at four different concentrations (0% w/w, 0.5% w/w, 1% w/w and 2% w/w) and stored at three different storage temperatures (4°C, 25°C and 45°C). The semambu ointment and cream formulated were evaluated in terms of their colour and spreadability. It has been found that the extract content and storage temperature influence the colour and spreadability of the formulated neem ointment and cream.

  12. Projecting India's energy requirements for policy formulation

    International Nuclear Information System (INIS)

    Parikh, Kirit S.; Karandikar, Vivek; Rana, Ashish; Dani, Prasanna

    2009-01-01

    Energy policy has to have a long-term perspective. To formulate it one needs to know the contours of energy requirements and options. Different approaches have been followed in literature, each with their own problems. A top down econometric approach provides little guidance on policies, while a bottom up approval requires too much knowledge and too many assumptions. Using top-down econometric approach for aggregate overall benchmarking and a detailed activity analysis model, Integrated Energy System Model, for a few large sectors, provides a unique combination for easing the difficulties of policy formulation. The model is described in this paper. Eleven alternate scenarios are built, designed to map out extreme points of feasible options. Results show that even after employing all domestic energy resource to their full potential, there will be a continued rise of fossil fuel use, continued importance of coal, and continued rise of import dependence. Energy efficiency emerges as a major option with a potential to reduce energy requirement by as much as 17%. Scenario results point towards pushing for development of alternative sources. (author)

  13. Material Models for the Human Torso Finite Element Model

    Science.gov (United States)

    2018-04-04

    44-mm standard for body armors required ballistic tests of armor backed by Roma Plastilina clay . The scope has expanded to include hard armors as...conditions were not fully considered, and that the connections between the clay -backed deflections and goat lethality were preliminary results... viscosity component needed to represent organic tissue in the Mat77 material model. Material characterizations from the published literature were drawn

  14. Variational principles are a powerful tool also for formulating field theories

    OpenAIRE

    Dell'Isola , Francesco; Placidi , Luca

    2012-01-01

    Variational principles and calculus of variations have always been an important tool for formulating mathematical models for physical phenomena. Variational methods give an efficient and elegant way to formulate and solve mathematical problems that are of interest for scientists and engineers and are the main tool for the axiomatization of physical theories

  15. Study and rheological characterization of various bone ash porcelain formulations

    International Nuclear Information System (INIS)

    Carus, L.A.; Bento, L.; Braganca, S.R.

    2012-01-01

    The bone ash porcelain is a widely accepted product on the market because their qualities such as high strength and whiteness, to differ from common table porcelains. Its traditional formulation comes from an English recipe, consisting of 25% of kaolin, 25% of feldspar and 50% of bovine bone ash. In some studies, this proportion is adapted to regional conditions, optimizing the formulation according to the raw materials available. In this study, the rheological behavior of bone porcelain suspensions, in which the flux feldspar is partially substituted by an alternative flux (espudomenio, wollastonite and glass). The results show that the rheological behavior of porcelain is affected by the size, shape, surface area and particle size distribution of particles in suspension

  16. Friction stir welding process and material microstructure evolution modeling in 2000 and 5000 series of aluminum alloy

    Science.gov (United States)

    Yalavarthy, Harshavardhan

    Interactions between the rotating and advancing pin-shaped tool (terminated at one end with a circular-cylindrical shoulder) with the clamped welding-plates and the associated material and heat transport during a Friction Stir Welding (FSW) process are studied computationally using a fully-coupled thermo-mechanical finite-element analysis. To surmount potential numerical problems associated with extensive mesh distortions/entanglement, an Arbitrary Lagrangian Eulerian (ALE) formulation was used which enabled adaptive re-meshing (to ensure the continuing presence of a high-quality mesh) while allowing full tracking of the material free surfaces. To demonstrate the utility of the present computational approach, the analysis is applied to the cases of same-alloy FSW of two Aluminum-alloy grades: (a) AA5083 (a solid-solution strengthened and strain-hardened/stabilized Al-Mg-Mn alloy); and (b) AA2139 (a precipitation hardened quaternary Al-Cu-Mg-Ag alloy). Both of these alloys are currently being used in military-vehicle hull structural and armor systems. In the case of non-age-hardenable AA5083, the dominant microstructure evolution processes taking place during FSW are extensive plastic deformation and dynamic recrystallization of highly-deformed material subjected to elevated temperatures approaching the melting temperature. To account for the competition between plastic-deformation controlled strengthening and dynamic-recrystallization induced softening phenomena during the FSW process, the original Johnson-Cook strain- and strain-rate hardening and temperature-softening material strength model is modified in the present work using the available recrystallization-kinetics experimental data. In the case of AA2139, in addition to plastic deformation and dynamic recrystallization, precipitates coarsening, over-aging, dissolution and re-precipitation had to be also considered. Limited data available in the open literature pertaining to the kinetics of the aforementioned

  17. Sigma-model formulation of the Yang-Mills theory on four-dimensional hypersphere

    International Nuclear Information System (INIS)

    Ivanov, E.A.; Krivonos, S.O.

    1981-01-01

    The bilocal sigma-model representation is constructed for the Yang-Mills theory in the simplest conformally flat hyperspherical spaces So(1,4)/SO(1,3), SO(2,3)/SO(1,3) and SO(5)/SO(4). Like in the case of Minkowski and Euclidean spaces, Yang-Mills potential is defined as bsub(μ)(x)=dsub(μ)sup(y)b(x,y)|y=0 , b(x,y) being a bilocal Goldstone field which takes values in the gauge group algebra and is subjected to certain covariant constraints. The minimal version of these constraints results in the ''string'' representation for b(x,y) through the P-exponential of bsub(μ)(x) along the fixed paths coinciding with geodesics. Due to the presence of closed geodesics, the contour fuctionals naturally appear in the theory, with contours being the circles with the hypersphere radius. The sigma-model representation is shown to be Weyl-covariant: its formulations indifferent conformally flat spaces are related by transformations of ysup(rho). The geometric meaning of ysup(rho) and minimal constraints is explained, and the conformal group gransformation for ysup(rho) is found [ru

  18. Sigma-model formulation of the Yang-Mills theory on four-dimensional hypersphere

    International Nuclear Information System (INIS)

    Ivanov, E.A.; Krivonos, S.O.

    1983-01-01

    The bilocal sigma-model representation is constructed for Yang-Mills theory in the simplest conformally flat hyperspherical spases SO(1, 4)/SO(1, 3), SO(2, 3)/SO(1, 3) and SO(5)/SO(4) (for the Euclidean Yang-Mills). Like in the case of Minkowski and Euclidean spaces, Yang-Mills potential is defined as bsub(μ)(x)=dsub(μ)sup(y)b(x, y)sub(y=0), b(x, y) being a bilocal Goldstone field which takes values in the gauge group algebra and is subjected to certain covariant constraints. The minimal version of these constraints results in the ''string'' representation for b(x, y) through the P exponential of bsub(μ)(x) along the fixed paths coinciding with geodesics. Due to the presence of closed geodesics, the contour functional naturally appear in the theory, with contours being the circles with the hypersphere radius. The sigma-model representation is shown to be Weyl-covariant: its formulations in different conformally flat spaces are related by transformations of ysup(rho). The geometric meaning ysup(rho) and minimal constraints is explained, and the conformal group transofrmation of ysup(rho) is found

  19. Modelling of the high temperature behaviour of metallic materials

    International Nuclear Information System (INIS)

    Mohr, R.

    1999-01-01

    The design of components of metallic high-temperature materials by the finite element method requires the application of phenomenological viscoplastic material models. The route from the choice of a convenient model, the numerical integration of the equations and the parameter identification to the design of components is described. The Chaboche-model is used whose evolution equations are explicitly integrated. The parameters are determined by graphical and numerical methods in order to use the material model for describing the deformation behaviour of a chromium steel and an intermetallic titanium aluminide alloy. (orig.)

  20. Formulation, stabilisation and encapsulation of bacteriophage for phage therapy.

    Science.gov (United States)

    Malik, Danish J; Sokolov, Ilya J; Vinner, Gurinder K; Mancuso, Francesco; Cinquerrui, Salvatore; Vladisavljevic, Goran T; Clokie, Martha R J; Garton, Natalie J; Stapley, Andrew G F; Kirpichnikova, Anna

    2017-11-01

    Against a backdrop of global antibiotic resistance and increasing awareness of the importance of the human microbiota, there has been resurgent interest in the potential use of bacteriophages for therapeutic purposes, known as phage therapy. A number of phage therapy phase I and II clinical trials have concluded, and shown phages don't present significant adverse safety concerns. These clinical trials used simple phage suspensions without any formulation and phage stability was of secondary concern. Phages have a limited stability in solution, and undergo a significant drop in phage titre during processing and storage which is unacceptable if phages are to become regulated pharmaceuticals, where stable dosage and well defined pharmacokinetics and pharmacodynamics are de rigueur. Animal studies have shown that the efficacy of phage therapy outcomes depend on the phage concentration (i.e. the dose) delivered at the site of infection, and their ability to target and kill bacteria, arresting bacterial growth and clearing the infection. In addition, in vitro and animal studies have shown the importance of using phage cocktails rather than single phage preparations to achieve better therapy outcomes. The in vivo reduction of phage concentration due to interactions with host antibodies or other clearance mechanisms may necessitate repeated dosing of phages, or sustained release approaches. Modelling of phage-bacterium population dynamics reinforces these points. Surprisingly little attention has been devoted to the effect of formulation on phage therapy outcomes, given the need for phage cocktails, where each phage within a cocktail may require significantly different formulation to retain a high enough infective dose. This review firstly looks at the clinical needs and challenges (informed through a review of key animal studies evaluating phage therapy) associated with treatment of acute and chronic infections and the drivers for phage encapsulation. An important driver

  1. Efficacy of tooth whitening with different calcium phosphate-based formulations.

    Science.gov (United States)

    Jin, Jian; Xu, Xiaohui; Lai, Guangyun; Kunzelmann, Karl-Heinz

    2013-08-01

    The aim of this in-vitro study was to evaluate the efficacy of tooth whitening using different calcium phosphate-based formulations. Teeth were treated with three different hydroxyapatite preparations at different concentrations and with two control preparations; each tooth was treated a total of three times. After application of the last material, hydrodynamic shear force was applied to mimic mechanical loading. After each treatment, tooth color was measured using a dental spectrophotometer, and the mean changes in L*a*b* values between different measurements were expressed as ∆E. The results indicated significant differences between the materials, but neither dose- nor time-dependent associations were found. The suspension containing tricalcium phosphate (10 wt%) showed the most obvious color change (∆E = 2.20 ± 0.90), while the suspension containing zinc-carbonate-apatite (20 wt%) showed the least obvious color change (∆E = 0.91 ± 0.50). Calcium phosphate-based formulations that can adhere to the enamel surface and contribute to tooth whitening have promising tooth-whitening potential. © 2013 Eur J Oral Sci.

  2. Anti-inflammatory and Antihistaminic Study of a Unani Eye Drop Formulation

    Directory of Open Access Journals (Sweden)

    Latif Abdul

    2010-01-01

    Full Text Available The Unani eye drop is an ophthalmic formulation prepared for its beneficial effects in the inflammatory and allergic conditions of the eyes. In the present study, the Unani eye drop formulation was prepared and investigated for its anti-inflammatory and antihistaminic activity, using in vivo and in vitro experimental models respectively. The Unani eye drop formulation exhibited significant anti-inflammatory activity in turpentine liniment-induced ocular inflammation in rabbits. The preparation also showed antihistaminic activity in isolated guinea-pig ileum. The anti-inflammatory and antihistaminic activity of eye drop may be due to presence of active ingredients in the formulation. Although there are many drugs in Unani repository which are mentioned in classical books or used in Unani clinical practice effectively in treatment of eye diseases by various Unani physicians. Inspite of the availability of vast literature, there is a dearth of commercial Unani ocular preparations. So, keeping this in mind, the eye drop formulation was prepared and its anti-inflammatory and antihistaminic activity was carried out in animal models. Thus, in view of the importance of alternative anti-inflammatory and antiallergic drugs, it becomes imperative to bring these indigenous drugs to the front foot and evaluate their activities.

  3. Anti-inflammatory and Antihistaminic Study of a Unani Eye Drop Formulation

    Directory of Open Access Journals (Sweden)

    Latif Abdul

    2010-03-01

    Full Text Available The Unani eye drop is an ophthalmic formulation prepared for its beneficial effects in the inflammatory and allergic conditions of the eyes. In the present study, the Unani eye drop formulation was prepared and investigated for its anti-inflammatory and antihistaminic activity, using in vivo and in vitro experimental models respectively. The Unani eye drop formulation exhibited significant anti-inflammatory activity in turpentine liniment-induced ocular inflammation in rabbits. The preparation also showed antihistaminic activity in isolated guinea-pig ileum. The anti-inflammatory and antihistaminic activity of eye drop may be due to presence of active ingredients in the formulation. Although there are many drugs in Unani repository which are mentioned in classical books or used in Unani clinical practice effectively in treatment of eye diseases by various Unani physicians. Inspite of the availability of vast literature, there is a dearth of commercial Unani ocular preparations. So, keeping this in mind, the eye drop formulation was prepared and its anti-inflammatory and antihistaminic activity was carried out in animal models. Thus, in view of the importance of alternative anti-inflammatory and anti- allergic drugs, it becomes imperative to bring these indigenous drugs to the front foot and evaluate their activities.

  4. Lipid-Based Formulations Can Enable the Model Poorly Water-Soluble Weakly Basic Drug Cinnarizine to Precipitate in an Amorphous-Salt Form during in Vitro Digestion

    DEFF Research Database (Denmark)

    Khan, Jamal; Rades, Thomas; Boyd, Ben J

    2016-01-01

    The tendency for poorly water-soluble weakly basic drugs to precipitate in a noncrystalline form during the in vitro digestion of lipid-based formulations (LBFs) was linked to an ionic interaction between drug and fatty acid molecules produced upon lipid digestion. Cinnarizine was chosen as a model...... from the starting free base crystalline material to the hydrochloride salt, thus supporting the case that ionic interactions between weak bases and fatty acid molecules during digestion are responsible for producing amorphous-salts upon precipitation. The conclusion has wide implications...... weakly basic drug and was dissolved in a medium-chain (MC) LBF, which was subject to in vitro lipolysis experiments at various pH levels above and below the reported pKa value of cinnarizine (7.47). The solid-state form of the precipitated drug was analyzed using X-ray diffraction (XRD), Fourier...

  5. Microcanonical formulation of quantum field theories

    International Nuclear Information System (INIS)

    Iwazaki, A.

    1984-03-01

    A microcanonical formulation of Euclidean quantum field theories is presented. In the formulation, correlation functions are given by a microcanonical ensemble average of fields. Furthermore, the perturbative equivalence of the formulation and the standard functional formulation is proved and the equipartition low is derived in our formulation. (author)

  6. Mechanistic Oral Absorption Modeling and Simulation for Formulation Development and Bioequivalence Evaluation: Report of an FDA Public Workshop.

    Science.gov (United States)

    Zhang, X; Duan, J; Kesisoglou, F; Novakovic, J; Amidon, G L; Jamei, M; Lukacova, V; Eissing, T; Tsakalozou, E; Zhao, L; Lionberger, R

    2017-08-01

    On May 19, 2016, the US Food and Drug Administration (FDA) hosted a public workshop, entitled "Mechanistic Oral Absorption Modeling and Simulation for Formulation Development and Bioequivalence Evaluation." The topic of mechanistic oral absorption modeling, which is one of the major applications of physiologically based pharmacokinetic (PBPK) modeling and simulation, focuses on predicting oral absorption by mechanistically integrating gastrointestinal transit, dissolution, and permeation processes, incorporating systems, active pharmaceutical ingredient (API), and the drug product information, into a systemic mathematical whole-body framework. © 2017 The Authors CPT: Pharmacometrics & Systems Pharmacology published by Wiley Periodicals, Inc. on behalf of American Society for Clinical Pharmacology and Therapeutics.

  7. Method and apparatus for modeling, visualization and analysis of materials

    KAUST Repository

    Aboulhassan, Amal

    2016-08-25

    A method, apparatus, and computer readable medium are provided for modeling of materials and visualization of properties of the materials. An example method includes receiving data describing a set of properties of a material, and computing, by a processor and based on the received data, geometric features of the material. The example method further includes extracting, by the processor, particle paths within the material based on the computed geometric features, and geometrically modeling, by the processor, the material using the geometric features and the extracted particle paths. The example method further includes generating, by the processor and based on the geometric modeling of the material, one or more visualizations regarding the material, and causing display, by a user interface, of the one or more visualizations.

  8. Presence of Polycyclic Aromatic Hydrocarbons in Rubber Packaging Materials and in Parenteral Formulations Stored in Bottles With Rubber Stoppers.

    Science.gov (United States)

    Bohrer, Denise; Viana, Carine; Barichello, Marcia M; de Moura, Juliane F; de Carvalho, Leandro M; Nascimento, Paulo C

    2017-08-01

    Rubber closures are the primary packaging material for sterile preparations intended for repeated use. Important features of rubber closures are achieved after additives are added to the elastomeric material that compounds the rubber. Among these additives is carbon black. Because of its origin, carbon black may contain polycyclic aromatic hydrocarbons (PAHs). The U.S. Environmental Protection Agency has identified 16 priority PAHs on the basis of concerns that they cause or might cause cancer in animals and humans. Regulatory agencies impose carbon black purity specifications based on limits for total PAHs (0.5 mg/kg) and benzo[a]pyrene (5 μg/kg) or benzo[a]pyrene only (250 μg/kg). PAHs in rubber packaging used for pharmaceutical formulations and in parenteral products stored in containers with rubber stoppers were investigated. To this end, the method proposed by the National Institute for Occupational Safety and Health-based on high-performance liquid chromatography with ultraviolet and fluorescence detection-was adapted to determine the levels of PAHs in rubber stoppers (gray and red) and in lipid emulsions and amino acid solutions stored in bottles with rubber stoppers. The rubber materials were shown to contain 12 PAHs, in concentrations ranging from 0.25-3.31 µg/g. Only 1 of 18 samples (11 amino acid solutions and 7 lipid emulsions) was uncontaminated. The most prevalent contaminants were pyrene, benzo[a]pyrene, and fluoranthene. The total PAH concentrations in the samples ranged from 0.11-5.96 µg/mL. Components of parenteral nutrition may be contaminated with PAHs, and rubber stoppers represent a potential source of these contaminants.

  9. Applications of an alternative formulation for one-layer real time optimization

    Directory of Open Access Journals (Sweden)

    Schiavon Júnior A.L.

    2000-01-01

    Full Text Available This paper presents two applications of an alternative formulation for one-layer real time structure for control and optimization. This new formulation have arisen from predictive controller QDMC (Quadratic Dynamic Matrix Control, a type of predictive control (Model Predictive Control - MPC. At each sampling time, the values of the outputs of process are fed into the optimization-control structure which supplies the new values of the manipulated variables already considering the best conditions of process. The variables of optimization are both set-point changes and control actions. The future stationary outputs and the future stationary control actions have both a different formulation of conventional one-layer structure and they are calculated from the inverse gain matrix of the process. This alternative formulation generates a convex problem, which can be solved by less sophisticated optimization algorithms. Linear and nonlinear economic objective functions were considered. The proposed approach was applied to two linear models, one SISO (single-input/single output and the other MIMO (multiple-input/multiple-output. The results showed an excellent performance.

  10. On strength design using free material subjected to multiple load cases

    DEFF Research Database (Denmark)

    Pedersen, Pauli; Pedersen, Niels Leergaard

    2013-01-01

    Multiple load cases and the consideration of strength is a reality that most structural designs are exposed to. Improved possibility to produce specific materials, say by fiber lay-up, put focus on research on free material optimization. A formulation for such design problems together with a prac......Multiple load cases and the consideration of strength is a reality that most structural designs are exposed to. Improved possibility to produce specific materials, say by fiber lay-up, put focus on research on free material optimization. A formulation for such design problems together...... with a practical recursive design procedure is presented and illustrated with examples. The presented finite element analysis involve many elements as well as many load cases. Separating the local amount of material from a description with unit trace for the local anisotropy, gives the free materials formulation...

  11. Challenges in Materials Transformation Modeling for Polyolefins Industry

    Science.gov (United States)

    Lai, Shih-Yaw; Swogger, Kurt W.

    2004-06-01

    Unlike most published polymer processing and/or forming research, the transformation of polyolefins to fabricated articles often involves non-confined flow or so-called free surface flow (e.g. fiber spinning, blown films, and cast films) in which elongational flow takes place during a fabrication process. Obviously, the characterization and validation of extensional rheological parameters and their use to develop rheological constitutive models are the focus of polyolefins materials transformation research. Unfortunately, there are challenges that remain with limited validation for non-linear, non-isothermal constitutive models for polyolefins. Further complexity arises in the transformation of polyolefins in the elongational flow system as it involves stress-induced crystallization process. The complicated nature of elongational, non-linear rheology and non-isothermal crystallization kinetics make the development of numerical methods very challenging for the polyolefins materials forming modeling. From the product based company standpoint, the challenges of materials transformation research go beyond elongational rheology, crystallization kinetics and its numerical modeling. In order to make models useful for the polyolefin industry, it is critical to develop links between molecular parameters to both equipment and materials forming parameters. The recent advances in the constrained geometry catalysis and materials sciences understanding (INSITE technology and molecular design capability) has made industrial polyolefinic materials forming modeling more viable due to the fact that the molecular structure of the polymer can be well predicted and controlled during the polymerization. In this paper, we will discuss inter-relationship (models) among molecular parameters such as polymer molecular weight (Mw), molecular weight distribution (MWD), long chain branching (LCB), short chain branching (SCB or comonomer types and distribution) and their affects on shear and

  12. Study of microwave drying of wet materials based on one-dimensional two-phase model

    Science.gov (United States)

    Salomatov, Vl V.; Karelin, V. A.

    2017-11-01

    Currently, microwave is one of the most interesting ways to conduct drying of dielectric materials, in particular coal. In this paper, two processes were considered - heating and drying. The temperature field of the coal semi-mass in the heating mode is found analytically strictly with the use of integral transformations. The drying process is formulated as a nonlinear Stephen problem with a moving boundary of the liquid-vapor phase transformation. The temperature distribution, speed and drying time in this mode are determined approximately analytically. Parametric analysis of the influence of the material and boundary conditions on the dynamics of warming up and drying is revealed.

  13. Modeling of the Jacked Pile Static Load Test with PLAX 3D

    Directory of Open Access Journals (Sweden)

    Tautvydas Statkus

    2016-12-01

    Full Text Available In this article jacked pile installation technology and its current processes, altering the base physical and mechanical characteristics are discussed. For the jacked pile static load test simulation Plax 3D software was selected, the opportunities and developments were described. Model building, materials, models, model geometry, finite elements, boundary conditions and assumptions adopted in addressing problems described in detail. Three different tasks formulated and load-settlement dependence a comparison of the results with the experiment given. Conclusions are formulated according to the modeling results.

  14. Molecular models and simulations of layered materials

    International Nuclear Information System (INIS)

    Kalinichev, Andrey G.; Cygan, Randall Timothy; Heinz, Hendrik; Greathouse, Jeffery A.

    2008-01-01

    The micro- to nano-sized nature of layered materials, particularly characteristic of naturally occurring clay minerals, limits our ability to fully interrogate their atomic dispositions and crystal structures. The low symmetry, multicomponent compositions, defects, and disorder phenomena of clays and related phases necessitate the use of molecular models and modern simulation methods. Computational chemistry tools based on classical force fields and quantum-chemical methods of electronic structure calculations provide a practical approach to evaluate structure and dynamics of the materials on an atomic scale. Combined with classical energy minimization, molecular dynamics, and Monte Carlo techniques, quantum methods provide accurate models of layered materials such as clay minerals, layered double hydroxides, and clay-polymer nanocomposites

  15. Natural additives and agricultural wastes in biopolymer formulations for food packaging

    Science.gov (United States)

    Valdés, Arantzazu; Mellinas, Ana Cristina; Ramos, Marina; Garrigós, María Carmen; Jiménez, Alfonso

    2014-02-01

    The main directions in food packaging research are targeted towards improvements in food quality and food safety. For this purpose, food packaging providing longer product shelf-life, as well as the monitoring of safety and quality based upon international standards, is desirable. New active packaging strategies represent a key area of development in new multifunctional materials where the use of natural additives and/or agricultural wastes is getting increasing interest. The development of new materials, and particularly innovative biopolymer formulations, can help to address these requirements and also with other packaging functions such as: food protection and preservation, marketing and smart communication to consumers. The use of biocomposites for active food packaging is one of the most studied approaches in the last years on materials in contact with food. Applications of these innovative biocomposites could help to provide new food packaging materials with improved mechanical, barrier, antioxidant and antimicrobial properties. From the food industry standpoint, concerns such as the safety and risk associated with these new additives, migration properties and possible human ingestion and regulations need to be considered. The latest innovations in the use of these innovative formulations to obtain biocomposites are reported in this review. Legislative issues related to the use of natural additives and agricultural wastes in food packaging systems are also discussed.

  16. Natural additives and agricultural wastes in biopolymer formulations for food packaging.

    Science.gov (United States)

    Valdés, Arantzazu; Mellinas, Ana Cristina; Ramos, Marina; Garrigós, María Carmen; Jiménez, Alfonso

    2014-01-01

    The main directions in food packaging research are targeted toward improvements in food quality and food safety. For this purpose, food packaging providing longer product shelf-life, as well as the monitoring of safety and quality based upon international standards, is desirable. New active packaging strategies represent a key area of development in new multifunctional materials where the use of natural additives and/or agricultural wastes is getting increasing interest. The development of new materials, and particularly innovative biopolymer formulations, can help to address these requirements and also with other packaging functions such as: food protection and preservation, marketing and smart communication to consumers. The use of biocomposites for active food packaging is one of the most studied approaches in the last years on materials in contact with food. Applications of these innovative biocomposites could help to provide new food packaging materials with improved mechanical, barrier, antioxidant, and antimicrobial properties. From the food industry standpoint, concerns such as the safety and risk associated with these new additives, migration properties and possible human ingestion and regulations need to be considered. The latest innovations in the use of these innovative formulations to obtain biocomposites are reported in this review. Legislative issues related to the use of natural additives and agricultural wastes in food packaging systems are also discussed.

  17. Natural additives and agricultural wastes in biopolymer formulations for food packaging

    Directory of Open Access Journals (Sweden)

    Arantzazu eValdés

    2014-02-01

    Full Text Available The main directions in food packaging research are targeted towards improvements in food quality and food safety. For this purpose, food packaging providing longer product shelf-life, as well as the monitoring of safety and quality based upon international standards, is desirable. New active packaging strategies represent a key area of development in new multifunctional materials where the use of natural additives and/or agricultural wastes is getting increasing interest. The development of new materials, and particularly innovative biopolymer formulations, can help to address these requirements and also with other packaging functions such as: food protection and preservation, marketing and smart communication to consumers. The use of biocomposites for active food packaging is one of the most studied approaches in the last years on materials in contact with food. Applications of these innovative biocomposites could help to provide new food packaging materials with improved mechanical, barrier, antioxidant and antimicrobial properties. From the food industry standpoint, concerns such as the safety and risk associated with these new additives, migration properties and possible human ingestion and regulations need to be considered. The latest innovations in the use of these innovative formulations to obtain biocomposites are reported in this review. Legislative issues related to the use of natural additives and agricultural wastes in food packaging systems are also discussed.

  18. Reciprocity, passivity and causality in Willis materials.

    Science.gov (United States)

    Muhlestein, Michael B; Sieck, Caleb F; Alù, Andrea; Haberman, Michael R

    2016-10-01

    Materials that require coupling between the stress-strain and momentum-velocity constitutive relations were first proposed by Willis (Willis 1981 Wave Motion 3 , 1-11. (doi:10.1016/0165-2125(81)90008-1)) and are now known as elastic materials of the Willis type, or simply Willis materials. As coupling between these two constitutive equations is a generalization of standard elastodynamic theory, restrictions on the physically admissible material properties for Willis materials should be similarly generalized. This paper derives restrictions imposed on the material properties of Willis materials when they are assumed to be reciprocal, passive and causal. Considerations of causality and low-order dispersion suggest an alternative formulation of the standard Willis equations. The alternative formulation provides improved insight into the subwavelength physical behaviour leading to Willis material properties and is amenable to time-domain analyses. Finally, the results initially obtained for a generally elastic material are specialized to the acoustic limit.

  19. Formulation and optimization of solid lipid nanoparticle formulation for pulmonary delivery of budesonide using Taguchi and Box-Behnken design.

    Science.gov (United States)

    Emami, J; Mohiti, H; Hamishehkar, H; Varshosaz, J

    2015-01-01

    Budesonide is a potent non-halogenated corticosteroid with high anti-inflammatory effects. The lungs are an attractive route for non-invasive drug delivery with advantages for both systemic and local applications. The aim of the present study was to develop, characterize and optimize a solid lipid nanoparticle system to deliver budesonide to the lungs. Budesonide-loaded solid lipid nanoparticles were prepared by the emulsification-solvent diffusion method. The impact of various processing variables including surfactant type and concentration, lipid content organic and aqueous volume, and sonication time were assessed on the particle size, zeta potential, entrapment efficiency, loading percent and mean dissolution time. Taguchi design with 12 formulations along with Box-Behnken design with 17 formulations was developed. The impact of each factor upon the eventual responses was evaluated, and the optimized formulation was finally selected. The size and morphology of the prepared nanoparticles were studied using scanning electron microscope. Based on the optimization made by Design Expert 7(®) software, a formulation made of glycerol monostearate, 1.2 % polyvinyl alcohol (PVA), weight ratio of lipid/drug of 10 and sonication time of 90 s was selected. Particle size, zeta potential, entrapment efficiency, loading percent, and mean dissolution time of adopted formulation were predicted and confirmed to be 218.2 ± 6.6 nm, -26.7 ± 1.9 mV, 92.5 ± 0.52 %, 5.8 ± 0.3 %, and 10.4 ± 0.29 h, respectively. Since the preparation and evaluation of the selected formulation within the laboratory yielded acceptable results with low error percent, the modeling and optimization was justified. The optimized formulation co-spray dried with lactose (hybrid microparticles) displayed desirable fine particle fraction, mass median aerodynamic diameter (MMAD), and geometric standard deviation of 49.5%, 2.06 μm, and 2.98 μm; respectively. Our results provide fundamental data for the

  20. CFD Modeling and Simulation in Materials Processing 2018

    OpenAIRE

    Nastac, Laurentiu; Pericleous, Koulis; Sabau, Adrian S.; Zhang, Lifeng; Thomas, Brian G.

    2018-01-01

    This book contains the proceedings of the symposium “CFD Modeling and Simulation in Materials Processing” held at the TMS 2018 Annual Meeting & Exhibition in Phoenix, Arizona, USA, March 11–15, 2018. This symposium dealt with computational fluid dynamics (CFD) modeling and simulation of engineering processes. The papers published in this book were requested from researchers and engineers involved in the modeling of multiscale and multiphase phenomena in material processing systems. The sympos...

  1. Implicit three-dimensional finite-element formulation for the nonlinear structural response of reactor components

    International Nuclear Information System (INIS)

    Kulak, R.F.; Belytschko, T.B.

    1975-09-01

    The formulation of a finite-element procedure for the implicit transient and static analysis of plate/shell type structures in three-dimensional space is described. The triangular plate/shell element can sustain both membrane and bending stresses. Both geometric and material nonlinearities can be treated, and an elastic-plastic material law has been incorporated. The formulation permits the element to undergo arbitrarily large rotations and translations; but, in its present form it is restricted to small strains. The discretized equations of motion are obtained by a stiffness method. An implicit integration algorithm based on trapezoidal integration formulas is used to integrate the discretized equations of motion in time. To ensure numerical stability, an iterative solution procedure with equilibrium checks is used

  2. Formulation of cheap prawn diets and their biological evaluation on some penaeid prawns

    Digital Repository Service at National Institute of Oceanography (India)

    Goswami, U.; Goswami, S.C.

    While using the cheap locally available wastes and raw materials, two compound diets have been formulated and prepared. Three species of penaeid prawns viz. Metapenaeus monoceros, M. affinis and Penaeus indicus were fed on these diets...

  3. Structured populations with distributed recruitment : from PDE to delay formulation

    NARCIS (Netherlands)

    Calsina, Àngel; Diekmann, Odo; Farkas, József Z.

    2016-01-01

    In this work, first, we consider a physiologically structured population model with a distributed recruitment process. That is, our model allows newly recruited individuals to enter the population at all possible individual states, in principle. The model can be naturally formulated as a first-order

  4. Modeling release of chemicals from multilayer materials into food

    Directory of Open Access Journals (Sweden)

    Huang Xiu-Ling

    2016-01-01

    Full Text Available The migration of chemicals from materials into food is predictable by various mathematical models. In this article, a general mathematical model is developed to quantify the release of chemicals through multilayer packaging films based on Fick's diffusion. The model is solved numerically to elucidate the effects of different diffusivity values of different layers, distribution of chemical between two adjacent layers and between material and food, mass transfer at the interface of material and food on the migration process.

  5. Improved Manufacturing Performance of Screen Printed Carbon Electrodes through Material Formulation.

    Science.gov (United States)

    Jewell, Eifion; Philip, Bruce; Greenwood, Peter

    2016-06-27

    Printed carbon graphite materials are the primary common component in the majority of screen printed sensors. Screen printing allows a scalable manufacturing solution, accelerating the means by which novel sensing materials can make the transition from laboratory material to commercial product. A common bottleneck in any thick film printing process is the controlled drying of the carbon paste material. A study has been undertaken which examines the interaction between material solvent, printed film conductivity and process consistency. The study illustrates that it is possible to reduce the solvent boiling point to significantly increase process productivity while maintaining process consistency. The lower boiling point solvent also has a beneficial effect on the conductivity of the film, reducing the sheet resistance. It is proposed that this is a result of greater film stressing increasing charge percolation through greater inter particle contact. Simulations of material performance and drying illustrate that a multi layered printing provides a more time efficient manufacturing method. The findings have implications for the volume manufacturing of the carbon sensor electrodes but also have implications for other applications where conductive carbon is used, such as electrical circuits and photovoltaic devices.

  6. Standardization of Unani polyherbal formulation, Qurse-e-Hummaz: A comprehensive approach

    Directory of Open Access Journals (Sweden)

    Y T Kamal

    2016-01-01

    Full Text Available Background: An increase in the awareness about the advantages of the traditional system of medicines has led to the commercialization of the formulations used for the treatments. Manufacture of these medicines to meet this increasing demand has resulted in a decline in their quality, primarily due to a lack of adequate regulations pertaining to this sector of medicine. Hence, it is necessary to come up with a systematic approach to develop well-designed methodologies for the standardization of polyherbal formulations which are used in traditional systems of medicine. Materials and Methods: Qurs-e-Hummaz formulations were prepared by a qualified “Hakim” (Unani medical practitioner of Faculty of Unani Medicine, Hamdard University, as per the formula and instruction given in National Formulary of Unani Medicine. Results: Various quality control parameters such as organoleptic evaluations (color, odor, taste, and consistency, physicochemical evaluations (loss on drying, disintegration time, moisture content, total ash, acid insoluble ash, water soluble ash, pH of 1 and 10% solution, extractive values, water soluble matter, alcohol-soluble matter, and total phenolic content and thin layer chromatography fingerprint profiling have been carried out in triplicate. The evaluation of contaminants such as heavy metals, aflatoxins, pesticide residues, and microbial contamination has also been carried out in the formulation. Conclusion: Help in maintaining the quality and batch to batch consistency of many important polyherbal formulations.

  7. 2-D analytical modeling of subthreshold current and subthreshold swing for ion-implanted strained-Si double-material double-gate (DMDG) MOSFETs

    Science.gov (United States)

    Goel, Ekta; Singh, Kunal; Singh, Balraj; Kumar, Sanjay; Jit, Satyabrata

    2017-09-01

    In this paper, the subthreshold behavior of ion-implanted strained-Si double-material double-gate (DMDG) MOSFETs has been analyzed by means of subthreshold current and subthreshold swing. The surface potential based formulation of subthreshold current and subthreshold swing is done by solving the 2-D Poisson's equations in the channel region using parabolic approximation method. The dependence of subthreshold characteristics on various device parameters such as gate length ratio, Ge mole fraction, peak doping concentration, projected range, straggle parameter etc. has been studied. The modeling results are found to be well matched with the simulation data obtained by a 2-D device simulator, ATLAS™, from SILVACO.

  8. A Decentralized Approach to the Formulation of Hypotheses: A Hierarchical Structural Model for a Prion Self-Assembled System

    Science.gov (United States)

    Wang, Mingyang; Zhang, Feifei; Song, Chao; Shi, Pengfei; Zhu, Jin

    2016-07-01

    Innovation in hypotheses is a key transformative driver for scientific development. The conventional centralized hypothesis formulation approach, where a dominant hypothesis is typically derived from a primary phenomenon, can, inevitably, impose restriction on the range of conceivable experiments and legitimate hypotheses, and ultimately impede understanding of the system of interest. We report herein the proposal of a decentralized approach for the formulation of hypotheses, through initial preconception-free phenomenon accumulation and subsequent reticular logical reasoning processes. The two-step approach can provide an unbiased, panoramic view of the system and as such should enable the generation of a set of more coherent and therefore plausible hypotheses. As a proof-of-concept demonstration of the utility of this open-ended approach, a hierarchical model has been developed for a prion self-assembled system, allowing insight into hitherto elusive static and dynamic features associated with this intriguing structure.

  9. Investigation of dielectric properties of different cake formulations during microwave and infrared-microwave combination baking.

    Science.gov (United States)

    Sakiyan, Ozge; Sumnu, Gulum; Sahin, Serpil; Meda, Venkatesh

    2007-05-01

    Dielectric properties can be used to understand the behavior of food materials during microwave processing. Dielectric properties influence the level of interaction between food and high frequency electromagnetic energy. Dielectric properties are, therefore, important in the design of foods intended for microwave preparation. In this study, it was aimed to determine the variation of dielectric properties of different cake formulations during baking in microwave and infrared-microwave combination oven. In addition, the effects of formulation and temperature on dielectric properties of cake batter were examined. Dielectric constant and loss factor of cake samples were shown to be dependent on formulation, baking time, and temperature. The increase in baking time and temperature decreased dielectric constant and loss factor of all formulations. Fat content was shown to increase dielectric constant and loss factor of cakes.

  10. Device and materials modeling in PEM fuel cells

    National Research Council Canada - National Science Library

    Paddison, Stephen J; Promislow, Keith

    2009-01-01

    .... Materials modeling include subjects relating to the membrane and the catalyst such as proton conduction, atomistic structural modeling, quantum molecular dynamics, and molecular-level modeling...

  11. Novel delivery system for natural products: Nano-curcumin formulations

    Directory of Open Access Journals (Sweden)

    Hamid Reza Rahimi

    2016-06-01

    Full Text Available Objective: Curcumin is extracted from Curcuma longa and regulates the intracellular signal pathways which control the growth of cancerous cell, inflammation, invasion and apoptosis. Curcumin molecules have special intrinsic features that can target the intracellular enzymes, genome (DNA and messengers (RNA. A wide range of studies have been conducted on the physicochemical traits and pharmacological effects of curcumin on different diseases like cardiovascular diseases, diabetes, cancer, rheumatoid arthritis, Alzheimer’s, inflammatory bowel disease (IBD, and even it has wound healing. Oral bioavailability of curcumin is rather poor, which would certainly put some boundaries in the employment of this drug. Materials and Methods: Bibliographical searches were performed using MEDLINE/ScienceDirect/OVID up to February 2015 using the following keywords (all fields: (“Curcumin” OR “Curcuma longa” AND [(nanoparticles OR (Nanomicelles OR (micro emulsions OR (liposome OR (phospholipid. Results: Consequently, for any developments of curcumin in the future, analogues of curcumin that have better bioavailability or substitute formulations are needed crucially. Conclusion: These studies indicated that nanotechnology can formulate curcumin effectively, and this nano-formulated curcumin with a potent ability against various cancer cells, were represented to have better efficacy and bioavailability under in vivo conditions.

  12. Numerical analysis of the induction melting process of oxide fuel material

    International Nuclear Information System (INIS)

    Kondala Rao, R.; Mangarjuna Rao, P.; Nashine, B.K.; Selvaraj, P.

    2015-01-01

    For the experimental simulation of Molten Fuel-Coolant Interaction (MFCI) phenomenon under hypothetical core meltdown accident scenario in a nuclear reactor, it is required to generate the molten pool of core materials. For this purpose, a laboratory scale Cold wall Crucible induction melting system has been developed. To optimize the system for efficient and reliable melting process, it is required to have comprehensive knowledge on the heat and mass transfer processes along with electromagnetic process that occur during the melting of core materials. Hence, a 2D axi-symmetric numerical model has been developed using a multiphysics software to simulate the induction melting process. The phase change phenomenon is taken into account by using enthalpy formulation. The experimental data available in literature for magnetic field and flow field are used for model validation. The model predicted temperatures are also in good agreement with experimentally measured values. The validated model has been used to study the induction melting behavior of UO_2 fuel material. (author)

  13. Viscoplastic Constitutive Theory Demonstrated for Monolithic Ceramic Materials

    Science.gov (United States)

    Janosik, Lesley A.

    1999-01-01

    Development of accurate three-dimensional (multiaxial) inelastic stress-strain models is critical in utilizing advanced ceramics for challenging 21st century high-temperature structural applications. The current state of the art uses elastic stress fields as a basis for both subcritical crack growth and creep life prediction efforts aimed at predicting the time dependent reliability response of ceramic components subjected to elevated service temperatures. However, to successfully design components that will meet tomorrow's challenging requirements, design engineers must recognize that elastic predictions are inaccurate for these materials when subjected to high-temperature service conditions such as those encountered in advanced heat engine components. Analytical life prediction methodologies developed for advanced ceramics and other brittle materials must employ accurate constitutive models that capture the inelastic response exhibited by these materials at elevated service temperatures. A constitutive model recently developed at the NASA Lewis Research Center helps address this issue by accounting for the time-dependent (inelastic) material deformation phenomena (e.g., creep, rate sensitivity, and stress relaxation) exhibited by monolithic ceramics exposed to high-temperature service conditions. In addition, the proposed formulation is based on a threshold function that is sensitive to hydrostatic stress and allows different behavior in tension and compression, reflecting experimental observations obtained for these material systems.

  14. Ambitwistor superstring in the Green-Schwarz formulation

    Energy Technology Data Exchange (ETDEWEB)

    Chandia, Osvaldo [Universidad Adolfo Ibanez, Departamento de Ciencias, Facultad de Artes Liberales, Santiago (Chile); Vallilo, Brenno Carlini [Universidad Andres Bello, Departamento de Ciencias Fisicas, Santiago (Chile)

    2017-07-15

    In this paper we construct the ambitwistor superstring in the Green-Schwarz formulation. The model is obtained from the related pure spinor version. We show that the spectrum contains only ten-dimensional supergravity and that kappa symmetry in a curved background implies some of the standard constraints. (orig.)

  15. Benzathine penicillin G: a model for long-term pharmacokinetic comparison of parenteral long-acting formulations.

    Science.gov (United States)

    Shahbazi, M A; Azimi, K; Hamidi, M

    2013-04-01

      Long-acting intramuscular penicillin G injection is an important product for the management of some severe infections. However, testing the bioequivalence of such long-acting formulations is difficult. Our aim was to undertake such a test using a generic formulation containing 1 200 000 IU of benzathine penicillin G powder and an innovator's product (Retarpen(®) 1·2 million units; Sandoz, Switzerland).   In an open, double-blind, randomized, two-periods, two-group crossover study, 12 healthy male volunteers received both formulations of benzathine penicillin G on two different days with a 5-month washout period between the doses and a sampling period of over 500 h. A simple, sensitive and rapid high-performance liquid chromatography (HPLC)-UV method was developed and validated for determination of penicillin G plasma concentrations and other pharmacokinetic (PK) parameters.   The analytical method used produced linear responses within a wide analyte concentration range with average within-run and between-run variations of below 15% with acceptable recovery, accuracy and sensitivity. The primary PK parameters we used were maximum plasma concentration (Cmax ), time to reach the maximal concentration (Tmax ) and the area under the plasma concentration vs. time curve from time zero to the last sampling time (AUC0→t ) using a standard non-compartmental approach. Based on these parameters, the two formulations were bioequivalent.   We illustrate the bioequivalence testing of a very long-acting product. The data indicate that the generic test formulation and the branded reference formulation were bioequivalent in fasting healthy Iranian male volunteers. © 2013 Blackwell Publishing Ltd.

  16. Hierarchical material models for fragmentation modeling in NIF-ALE-AMR

    International Nuclear Information System (INIS)

    Fisher, A C; Masters, N D; Koniges, A E; Anderson, R W; Gunney, B T N; Wang, P; Becker, R; Dixit, P; Benson, D J

    2008-01-01

    Fragmentation is a fundamental process that naturally spans micro to macroscopic scales. Recent advances in algorithms, computer simulations, and hardware enable us to connect the continuum to microstructural regimes in a real simulation through a heterogeneous multiscale mathematical model. We apply this model to the problem of predicting how targets in the NIF chamber dismantle, so that optics and diagnostics can be protected from damage. The mechanics of the initial material fracture depend on the microscopic grain structure. In order to effectively simulate the fragmentation, this process must be modeled at the subgrain level with computationally expensive crystal plasticity models. However, there are not enough computational resources to model the entire NIF target at this microscopic scale. In order to accomplish these calculations, a hierarchical material model (HMM) is being developed. The HMM will allow fine-scale modeling of the initial fragmentation using computationally expensive crystal plasticity, while the elements at the mesoscale can use polycrystal models, and the macroscopic elements use analytical flow stress models. The HMM framework is built upon an adaptive mesh refinement (AMR) capability. We present progress in implementing the HMM in the NIF-ALE-AMR code. Additionally, we present test simulations relevant to NIF targets

  17. Hierarchical material models for fragmentation modeling in NIF-ALE-AMR

    Energy Technology Data Exchange (ETDEWEB)

    Fisher, A C; Masters, N D; Koniges, A E; Anderson, R W; Gunney, B T N; Wang, P; Becker, R [Lawrence Livermore National Laboratory, PO Box 808, Livermore, CA 94551 (United States); Dixit, P; Benson, D J [University of California San Diego, 9500 Gilman Dr., La Jolla. CA 92093 (United States)], E-mail: fisher47@llnl.gov

    2008-05-15

    Fragmentation is a fundamental process that naturally spans micro to macroscopic scales. Recent advances in algorithms, computer simulations, and hardware enable us to connect the continuum to microstructural regimes in a real simulation through a heterogeneous multiscale mathematical model. We apply this model to the problem of predicting how targets in the NIF chamber dismantle, so that optics and diagnostics can be protected from damage. The mechanics of the initial material fracture depend on the microscopic grain structure. In order to effectively simulate the fragmentation, this process must be modeled at the subgrain level with computationally expensive crystal plasticity models. However, there are not enough computational resources to model the entire NIF target at this microscopic scale. In order to accomplish these calculations, a hierarchical material model (HMM) is being developed. The HMM will allow fine-scale modeling of the initial fragmentation using computationally expensive crystal plasticity, while the elements at the mesoscale can use polycrystal models, and the macroscopic elements use analytical flow stress models. The HMM framework is built upon an adaptive mesh refinement (AMR) capability. We present progress in implementing the HMM in the NIF-ALE-AMR code. Additionally, we present test simulations relevant to NIF targets.

  18. Extended Jiles-Atherton model for modelling the magnetic characteristics of isotropic materials

    International Nuclear Information System (INIS)

    Szewczyk, Roman; Bienkowski, Adam; Salach, Jacek

    2008-01-01

    This paper presents the idea of the extension of the Jiles-Atherton model applied for modelling of the magnetic characteristics of Mn-Zn, as well as Ni-Zn ferrites. The presented extension of the model takes into account changes of the parameter k during the magnetisation process, what is physically judged. The extended Jiles-Atherton model gives novel possibility of modelling the hysteresis loops of isotropic materials. For one set of the extended model parameters, a good agreement between experimental data and modelled hysteresis loops is observed, for different values of maximal magnetising field. As a result, the extended Jiles-Atherton model presented in the paper may be applied for both technical applications and fundamental research, focused on understanding the physical aspects of the magnetisation process of anisotropic soft magnetic materials

  19. Modelling Hospital Materials Management Processes

    Directory of Open Access Journals (Sweden)

    Raffaele Iannone

    2013-06-01

    integrated and detailed analysis and description model for hospital materials management data and tasks, which is able to tackle information from patient requirements to usage, from replenishment requests to supplying and handling activities. The model takes account of medical risk reduction, traceability and streamlined processes perspectives. Second, the paper translates this information into a business process model and mathematical formalization.The study provides a useful guide to the various relevant technology‐related, management and business issues, laying the foundations of an efficient reengineering of the supply chain to reduce healthcare costs and improve the quality of care.

  20. Thermoreversible gel formulation containing sodium lauryl sulfate as a potential contraceptive device.

    Science.gov (United States)

    Haineault, Caroline; Gourde, Pierrette; Perron, Sylvie; Désormeaux, André; Piret, Jocelyne; Omar, Rabeea F; Tremblay, Roland R; Bergeron, Michel G

    2003-08-01

    The contraceptive properties of a gel formulation containing sodium lauryl sulfate were investigated in both in vitro and in vivo models. Results showed that sodium lauryl sulfate inhibited, in a concentration-dependent manner, the activity of sheep testicular hyaluronidase. Sodium lauryl sulfate also completely inhibited human sperm motility as evaluated by the 30-sec Sander-Cramer test. The acid-buffering capacity of gel formulations containing sodium lauryl sulfate increased with the molarity of the citrate buffers used for their preparations. Furthermore, experiments in which semen was mixed with undiluted gel formulations in different proportions confirmed their physiologically relevant buffering capacity. Intravaginal application of the gel formulation containing sodium lauryl sulfate to rabbits before their artificial insemination with freshly ejaculated semen completely prevented egg fertilization. The gel formulation containing sodium lauryl sulfate was fully compatible with nonlubricated latex condoms. Taken together, these results suggest that the gel formulation containing sodium lauryl sulfate could represent a potential candidate for use as a topical vaginal spermicidal formulation to provide fertility control in women.