SMP: A solid modeling program version 2.0

NASA Technical Reports Server (NTRS)

Randall, D. P.; Jones, K. H.; Vonofenheim, W. H.; Gates, R. L.; Matthews, C. G.

1986-01-01

The Solid Modeling Program (SMP) provides the capability to model complex solid objects through the composition of primitive geometric entities. In addition to the construction of solid models, SMP has extensive facilities for model editing, display, and analysis. The geometric model produced by the software system can be output in a format compatible with existing analysis programs such as PATRAN-G. The present version of the SMP software supports six primitives: boxes, cones, spheres, paraboloids, tori, and trusses. The details for creating each of the major primitive types is presented. The analysis capabilities of SMP, including interfaces to existing analysis programs, are discussed.

Solid-liquid surface tensions of critical nuclei and nucleation barriers from a phase-field-crystal study of a model binary alloy using finite system sizes.

PubMed

Choudhary, Muhammad Ajmal; Kundin, Julia; Emmerich, Heike; Oettel, Martin

2014-08-01

Phase-field-crystal (PFC) modeling has emerged as a computationally efficient tool to address crystal growth phenomena on atomistic length and diffusive time scales. We use a two-dimensional phase-field-crystal model for a binary system based on Elder et al. [Phys. Rev. B 75, 064107 (2007)] to study critical nuclei and their liquid-solid phase boundaries, in particular the nucleus size dependence of the liquid-solid interface tension as well as of the nucleation barrier. Critical nuclei are stabilized in finite systems of various sizes, however, the extracted interface tension as function of the nucleus radius r is independent of system size. We suggest a phenomenological expression to describe the dependence of the extracted interface tension on the nucleus radius r for the liquid-solid system. Moreover, the numerical PFC results show that this dependency can not be fully described by the nonclassical Tolman formula.

Solid waste projection model: Model version 1. 0 technical reference manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilkins, M.L.; Crow, V.L.; Buska, D.E.

1990-11-01

The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC). The SWPM system provides a modeling and analysis environment that supports decisions in the process of evaluating various solid waste management alternatives. This document, one of a series describing the SWPM system, contains detailed information regarding the software utilized in developing Version 1.0 of the modeling unit of SWPM. This document is intended for use by experienced software engineers and supports programming, code maintenance, and model enhancement. Those interested in using SWPM should refer to the SWPM Modelmore » User's Guide. This document is available from either the PNL project manager (D. L. Stiles, 509-376-4154) or the WHC program monitor (B. C. Anderson, 509-373-2796). 8 figs.« less

Hierarchical multi-scale approach to validation and uncertainty quantification of hyper-spectral image modeling

NASA Astrophysics Data System (ADS)

Engel, Dave W.; Reichardt, Thomas A.; Kulp, Thomas J.; Graff, David L.; Thompson, Sandra E.

2016-05-01

Validating predictive models and quantifying uncertainties inherent in the modeling process is a critical component of the HARD Solids Venture program [1]. Our current research focuses on validating physics-based models predicting the optical properties of solid materials for arbitrary surface morphologies and characterizing the uncertainties in these models. We employ a systematic and hierarchical approach by designing physical experiments and comparing the experimental results with the outputs of computational predictive models. We illustrate this approach through an example comparing a micro-scale forward model to an idealized solid-material system and then propagating the results through a system model to the sensor level. Our efforts should enhance detection reliability of the hyper-spectral imaging technique and the confidence in model utilization and model outputs by users and stakeholders.

On the Superficial Gas Velocity in Deep Gas-Solid Fluidized Beds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tingwen; Grace, John; Shadle, Lawrence

2011-11-15

The superficial gas velocity is one of the key parameters used to determine the flow hydrodynamics in gas–solids fluidized beds. However, the superficial velocity varies with height in practice, and there is no consistent basis for its specification. Different approaches to determine the superficial gas velocity in a deep gas–solids system are shown to cause difficulties in developing models and in comparing predictions with experimental results. In addition, the reference conditions for superficial gas velocity are important in modeling of deep gas–solids systems where there is a considerable pressure drop.

Evaluation of the solubility constants of the hydrated solid phases in the H2O-Al2O3-SO3 ternary system

NASA Astrophysics Data System (ADS)

Teyssier, A.; Lagneau, V.; Schmitt, J. M.; Counioux, J. J.; Goutaudier, C.

2017-04-01

During the acid processing of aluminosilicate ores, the precipitation of a solid phase principally consisting of hydrated aluminium hydroxysulfates may be observed. The experimental study of the H2O-Al2O3-SO3 ternary system at 25 ∘C and 101 kPa enabled to describe the solid-liquid equilibra and to identify the nature, the composition and the solubility of the solid phases which may form during the acid leaching. To predict the appearance of these aluminium hydroxysulfates in more complex systems, their solubility constants were calculated by modelling the experimental solubility results, using a geochemical reaction modelling software, CHESS. A model for non-ideality correction, based on the B-dot equation, was used as it was suitable for the considered ion concentration range. The solubility constants of three out of four solid phases were calculated: 104.08 for jurbanite (Al(SO4)(OH).5H2O), 1028.09 for the solid T (Al8(SO4)5(OH)14.34H2O) and 1027.28 for the solid V (Al10(SO4)3(OH)24.20H2O). However the activity correction model was not suitable to determine the solubility constant of alunogen (Al2(SO4)3.15.8H2O), as the ion concentrations of the mixtures were too high and beyond the allowable limits of the model. Another ionic activity correction model, based on the Pitzer equation for example, must be applied to calculate the solubility constant of alunogen.

A New Model for Temperature Jump at a Fluid-Solid Interface

PubMed Central

Shu, Jian-Jun; Teo, Ji Bin Melvin; Chan, Weng Kong

2016-01-01

The problem presented involves the development of a new analytical model for the general fluid-solid temperature jump. To the best of our knowledge, there are no analytical models that provide the accurate predictions of the temperature jump for both gas and liquid systems. In this paper, a unified model for the fluid-solid temperature jump has been developed based on our adsorption model of the interfacial interactions. Results obtained from this model are validated with available results from the literature. PMID:27764230

Solid-solid collapse transition in a two dimensional model molecular system.

PubMed

Singh, Rakesh S; Bagchi, Biman

2013-11-21

Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molecular systems arises from the interplay between different energy and length scales involved in molecular systems, often mediated through a solvent. In this work we employ Monte-Carlo simulation to study the collapse transition in a model molecular system interacting via both isotropic as well as anisotropic interactions having different length and energy scales. The model we use is known as Mercedes-Benz (MB), which, for a specific set of parameters, sustains two solid phases: honeycomb and oblique. In order to study the temperature induced collapse transition, we start with a metastable honeycomb solid and induce transition by increasing temperature. High density oblique solid so formed has two characteristic length scales corresponding to isotropic and anisotropic parts of interaction potential. Contrary to the common belief and classical nucleation theory, interestingly, we find linear strip-like nucleating clusters having significantly different order and average coordination number than the bulk stable phase. In the early stage of growth, the cluster grows as a linear strip, followed by branched and ring-like strips. The geometry of growing cluster is a consequence of the delicate balance between two types of interactions, which enables the dominance of stabilizing energy over destabilizing surface energy. The nucleus of stable oblique phase is wetted by intermediate order particles, which minimizes the surface free energy. In the case of pressure induced transition at low temperature the collapsed state is a disordered solid. The disordered solid phase has diverse local quasi-stable structures along with oblique-solid like domains.

Solid-solid collapse transition in a two dimensional model molecular system

NASA Astrophysics Data System (ADS)

Singh, Rakesh S.; Bagchi, Biman

2013-11-01

Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molecular systems arises from the interplay between different energy and length scales involved in molecular systems, often mediated through a solvent. In this work we employ Monte-Carlo simulation to study the collapse transition in a model molecular system interacting via both isotropic as well as anisotropic interactions having different length and energy scales. The model we use is known as Mercedes-Benz (MB), which, for a specific set of parameters, sustains two solid phases: honeycomb and oblique. In order to study the temperature induced collapse transition, we start with a metastable honeycomb solid and induce transition by increasing temperature. High density oblique solid so formed has two characteristic length scales corresponding to isotropic and anisotropic parts of interaction potential. Contrary to the common belief and classical nucleation theory, interestingly, we find linear strip-like nucleating clusters having significantly different order and average coordination number than the bulk stable phase. In the early stage of growth, the cluster grows as a linear strip, followed by branched and ring-like strips. The geometry of growing cluster is a consequence of the delicate balance between two types of interactions, which enables the dominance of stabilizing energy over destabilizing surface energy. The nucleus of stable oblique phase is wetted by intermediate order particles, which minimizes the surface free energy. In the case of pressure induced transition at low temperature the collapsed state is a disordered solid. The disordered solid phase has diverse local quasi-stable structures along with oblique-solid like domains.

A stochastic model of solid state thin film deposition: Application to chalcopyrite growth

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lovelett, Robert J.; Pang, Xueqi; Roberts, Tyler M.

Developing high fidelity quantitative models of solid state reaction systems can be challenging, especially in deposition systems where, in addition to the multiple competing processes occurring simultaneously, the solid interacts with its atmosphere. In this work, we develop a model for the growth of a thin solid film where species from the atmosphere adsorb, diffuse, and react with the film. The model is mesoscale and describes an entire film with thickness on the order of microns. Because it is stochastic, the model allows us to examine inhomogeneities and agglomerations that would be impossible to characterize with deterministic methods. We demonstratemore » the modeling approach with the example of chalcopyrite Cu(InGa)(SeS){sub 2} thin film growth via precursor reaction, which is a common industrial method for fabricating thin film photovoltaic modules. The model is used to understand how and why through-film variation in the composition of Cu(InGa)(SeS){sub 2} thin films arises and persists. We believe that the model will be valuable as an effective quantitative description of many other materials systems used in semiconductors, energy storage, and other fast-growing industries.« less

A stochastic model of solid state thin film deposition: Application to chalcopyrite growth

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lovelett, Robert J.; Pang, Xueqi; Roberts, Tyler M.

Developing high fidelity quantitative models of solid state reaction systems can be challenging, especially in deposition systems where, in addition to the multiple competing processes occurring simultaneously, the solid interacts with its atmosphere. Here, we develop a model for the growth of a thin solid film where species from the atmosphere adsorb, diffuse, and react with the film. The model is mesoscale and describes an entire film with thickness on the order of microns. Because it is stochastic, the model allows us to examine inhomogeneities and agglomerations that would be impossible to characterize with deterministic methods. We also demonstrate themore » modeling approach with the example of chalcopyrite Cu(InGa)(SeS) 2 thin film growth via precursor reaction, which is a common industrial method for fabricating thin film photovoltaic modules. The model is used to understand how and why through-film variation in the composition of Cu(InGa)(SeS) 2 thin films arises and persists. Finally, we believe that the model will be valuable as an effective quantitative description of many other materials systems used in semiconductors, energy storage, and other fast-growing industries.« less

A stochastic model of solid state thin film deposition: Application to chalcopyrite growth

DOE PAGES

Lovelett, Robert J.; Pang, Xueqi; Roberts, Tyler M.; ...

2016-04-01

Developing high fidelity quantitative models of solid state reaction systems can be challenging, especially in deposition systems where, in addition to the multiple competing processes occurring simultaneously, the solid interacts with its atmosphere. Here, we develop a model for the growth of a thin solid film where species from the atmosphere adsorb, diffuse, and react with the film. The model is mesoscale and describes an entire film with thickness on the order of microns. Because it is stochastic, the model allows us to examine inhomogeneities and agglomerations that would be impossible to characterize with deterministic methods. We also demonstrate themore » modeling approach with the example of chalcopyrite Cu(InGa)(SeS) 2 thin film growth via precursor reaction, which is a common industrial method for fabricating thin film photovoltaic modules. The model is used to understand how and why through-film variation in the composition of Cu(InGa)(SeS) 2 thin films arises and persists. Finally, we believe that the model will be valuable as an effective quantitative description of many other materials systems used in semiconductors, energy storage, and other fast-growing industries.« less

Three dimensional CFD modeling and experimental validation of a single chamber solid oxide fuel cell fed by methane

NASA Astrophysics Data System (ADS)

Nguyen, H. T.; Le, M. V.; Nguyen, T. A.; Nguyen, T. A. N.

2017-06-01

The solid oxide fuel cell is one of the promising technologies for future energy demand. Solid oxide fuel cell operated in the single-chamber mode exhibits several advantages over conventional single oxide fuel cell due to the simplified, compact, sealing-free cell structure. There are some studies on simulating the behavior of this type of fuel cell but they mainly focus on the 2D model. In the present study, a three-dimensional numerical model of a single chamber solid oxide fuel cell (SOFC) is reported and solved using COMSOL Multiphysics software. Experiments of a planar button solid oxide fuel cell were used to verify the simulation results. The system is fed by methane and oxygen and operated at 700°C. The cathode is LSCF6482, the anode is GDC-Ni, the electrolyte is LDM and the operating pressure is 1 atm. There was a good agreement between the cell temperature and current voltage estimated from the model and measured from the experiment. The results indicate that the model is applicable for the single chamber solid oxide fuel cell and it can provide a basic for the design, scale up of single chamber solid oxide fuel cell system.

FLUSH: A tool for the design of slush hydrogen flow systems

NASA Technical Reports Server (NTRS)

Hardy, Terry L.

1990-01-01

As part of the National Aerospace Plane Project an analytical model was developed to perform calculations for in-line transfer of solid-liquid mixtures of hydrogen. This code, called FLUSH, calculates pressure drop and solid fraction loss for the flow of slush hydrogen through pipe systems. The model solves the steady-state, one-dimensional equation of energy to obtain slush loss estimates. A description of the code is provided as well as a guide for users of the program. Preliminary results are also presented showing the anticipated degradation of slush hydrogen solid content for various piping systems.

Hierarchical Multi-Scale Approach To Validation and Uncertainty Quantification of Hyper-Spectral Image Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Engel, David W.; Reichardt, Thomas A.; Kulp, Thomas J.

Validating predictive models and quantifying uncertainties inherent in the modeling process is a critical component of the HARD Solids Venture program [1]. Our current research focuses on validating physics-based models predicting the optical properties of solid materials for arbitrary surface morphologies and characterizing the uncertainties in these models. We employ a systematic and hierarchical approach by designing physical experiments and comparing the experimental results with the outputs of computational predictive models. We illustrate this approach through an example comparing a micro-scale forward model to an idealized solid-material system and then propagating the results through a system model to the sensormore » level. Our efforts should enhance detection reliability of the hyper-spectral imaging technique and the confidence in model utilization and model outputs by users and stakeholders.« less

Revisiting low-fidelity two-fluid models for gas-solids transport

NASA Astrophysics Data System (ADS)

Adeleke, Najeem; Adewumi, Michael; Ityokumbul, Thaddeus

2016-08-01

Two-phase gas-solids transport models are widely utilized for process design and automation in a broad range of industrial applications. Some of these applications include proppant transport in gaseous fracking fluids, air/gas drilling hydraulics, coal-gasification reactors and food processing units. Systems automation and real time process optimization stand to benefit a great deal from availability of efficient and accurate theoretical models for operations data processing. However, modeling two-phase pneumatic transport systems accurately requires a comprehensive understanding of gas-solids flow behavior. In this study we discuss the prevailing flow conditions and present a low-fidelity two-fluid model equation for particulate transport. The model equations are formulated in a manner that ensures the physical flux term remains conservative despite the inclusion of solids normal stress through the empirical formula for modulus of elasticity. A new set of Roe-Pike averages are presented for the resulting strictly hyperbolic flux term in the system of equations, which was used to develop a Roe-type approximate Riemann solver. The resulting scheme is stable regardless of the choice of flux-limiter. The model is evaluated by the prediction of experimental results from both pneumatic riser and air-drilling hydraulics systems. We demonstrate the effect and impact of numerical formulation and choice of numerical scheme on model predictions. We illustrate the capability of a low-fidelity one-dimensional two-fluid model in predicting relevant flow parameters in two-phase particulate systems accurately even under flow regimes involving counter-current flow.

System for conversion between the boundary representation model and a constructive solid geometry model of an object

DOEpatents

Christensen, Noel C.; Emery, James D.; Smith, Maurice L.

1988-04-05

A system converts from the boundary representation of an object to the constructive solid geometry representation thereof. The system converts the boundary representation of the object into elemental atomic geometrical units or I-bodies which are in the shape of stock primitives or regularized intersections of stock primitives. These elemental atomic geometrical units are then represented in symbolic form. The symbolic representations of the elemental atomic geometrical units are then assembled heuristically to form a constructive solid geometry representation of the object usable for manufacturing thereof. Artificial intelligence is used to determine the best constructive solid geometry representation from the boundary representation of the object. Heuristic criteria are adapted to the manufacturing environment for which the device is to be utilized. The surface finish, tolerance, and other information associated with each surface of the boundary representation of the object are mapped onto the constructive solid geometry representation of the object to produce an enhanced solid geometry representation, particularly useful for computer-aided manufacture of the object.

Automated biowaste sampling system, solids subsystem operating model, part 2

NASA Technical Reports Server (NTRS)

Fogal, G. L.; Mangialardi, J. K.; Stauffer, R. E.

1973-01-01

The detail design and fabrication of the Solids Subsystem were implemented. The system's capacity for the collection, storage or sampling of feces and vomitus from six subjects was tested and verified.

Assessment of Solid Sorbent Systems for Post-Combustion Carbon Dioxide Capture at Coal-Fired Power Plants

NASA Astrophysics Data System (ADS)

Glier, Justin C.

In an effort to lower future CO2 emissions, a wide range of technologies are being developed to scrub CO2 from the flue gases of fossil fuel-based electric power and industrial plants. This thesis models one of several early-stage post-combustion CO2 capture technologies, solid sorbent-based CO2 capture process, and presents performance and cost estimates of this system on pulverized coal power plants. The spreadsheet-based software package Microsoft Excel was used in conjunction with AspenPlus modelling results and the Integrated Environmental Control Model to develop performance and cost estimates for the solid sorbent-based CO2 capture technology. A reduced order model also was created to facilitate comparisons among multiple design scenarios. Assumptions about plant financing and utilization, as well as uncertainties in heat transfer and material design that affect heat exchanger and reactor design were found to produce a wide range of cost estimates for solid sorbent-based systems. With uncertainties included, costs for a supercritical power plant with solid sorbent-based CO2 capture ranged from 167 to 533 per megawatt hour for a first-of-a-kind installation (with all costs in constant 2011 US dollars) based on a 90% confidence interval. The median cost was 209/MWh. Post-combustion solid sorbent-based CO2 capture technology is then evaluated in terms of the potential cost for a mature system based on historic experience as technologies are improved with sequential iterations of the currently available system. The range costs for a supercritical power plant with solid sorbent-based CO2 capture was found to be 118 to 189 per megawatt hour with a nominal value of 163 per megawatt hour given the expected range of technological improvement in the capital and operating costs and efficiency of the power plant after 100 GW of cumulative worldwide experience. These results suggest that the solid sorbent-based system will not be competitive with currently available liquid amine-systems in the absence of significant new improvements in solid sorbent properties and process system design to reduce the heat exchange surface area in the regenerator and cross-flow heat exchanger. Finally, the importance of these estimates for policy makers is discussed.

State Machine Modeling of the Space Launch System Solid Rocket Boosters

NASA Technical Reports Server (NTRS)

Harris, Joshua A.; Patterson-Hine, Ann

2013-01-01

The Space Launch System is a Shuttle-derived heavy-lift vehicle currently in development to serve as NASA's premiere launch vehicle for space exploration. The Space Launch System is a multistage rocket with two Solid Rocket Boosters and multiple payloads, including the Multi-Purpose Crew Vehicle. Planned Space Launch System destinations include near-Earth asteroids, the Moon, Mars, and Lagrange points. The Space Launch System is a complex system with many subsystems, requiring considerable systems engineering and integration. To this end, state machine analysis offers a method to support engineering and operational e orts, identify and avert undesirable or potentially hazardous system states, and evaluate system requirements. Finite State Machines model a system as a finite number of states, with transitions between states controlled by state-based and event-based logic. State machines are a useful tool for understanding complex system behaviors and evaluating "what-if" scenarios. This work contributes to a state machine model of the Space Launch System developed at NASA Ames Research Center. The Space Launch System Solid Rocket Booster avionics and ignition subsystems are modeled using MATLAB/Stateflow software. This model is integrated into a larger model of Space Launch System avionics used for verification and validation of Space Launch System operating procedures and design requirements. This includes testing both nominal and o -nominal system states and command sequences.

Infrared Imagery of Solid Rocket Exhaust Plumes

NASA Technical Reports Server (NTRS)

Moran, Robert P.; Houston, Janice D.

2011-01-01

The Ares I Scale Model Acoustic Test program consisted of a series of 18 solid rocket motor static firings, simulating the liftoff conditions of the Ares I five-segment Reusable Solid Rocket Motor Vehicle. Primary test objectives included acquiring acoustic and pressure data which will be used to validate analytical models for the prediction of Ares 1 liftoff acoustics and ignition overpressure environments. The test article consisted of a 5% scale Ares I vehicle and launch tower mounted on the Mobile Launch Pad. The testing also incorporated several Water Sound Suppression Systems. Infrared imagery was employed during the solid rocket testing to support the validation or improvement of analytical models, and identify corollaries between rocket plume size or shape and the accompanying measured level of noise suppression obtained by water sound suppression systems.

Freezing Transition Studies Through Constrained Cell Model Simulation

NASA Astrophysics Data System (ADS)

Nayhouse, Michael; Kwon, Joseph Sang-Il; Heng, Vincent R.; Amlani, Ankur M.; Orkoulas, G.

2014-10-01

In the present work, a simulation method based on cell models is used to deduce the fluid-solid transition of a system of particles that interact via a pair potential, , which is of the form with . The simulations are implemented under constant-pressure conditions on a generalized version of the constrained cell model. The constrained cell model is constructed by dividing the volume into Wigner-Seitz cells and confining each particle in a single cell. This model is a special case of a more general cell model which is formed by introducing an additional field variable that controls the number of particles per cell and, thus, the relative stability of the solid against the fluid phase. High field values force configurations with one particle per cell and thus favor the solid phase. Fluid-solid coexistence on the isotherm that corresponds to a reduced temperature of 2 is determined from constant-pressure simulations of the generalized cell model using tempering and histogram reweighting techniques. The entire fluid-solid phase boundary is determined through a thermodynamic integration technique based on histogram reweighting, using the previous coexistence point as a reference point. The vapor-liquid phase diagram is obtained from constant-pressure simulations of the unconstrained system using tempering and histogram reweighting. The phase diagram of the system is found to contain a stable critical point and a triple point. The phase diagram of the corresponding constrained cell model is also found to contain both a stable critical point and a triple point.

Phase equilibrium modeling for high temperature metallization on GaAs solar cells

NASA Technical Reports Server (NTRS)

Chung, M. A.; Davison, J. E.; Smith, S. R.

1991-01-01

Recent trends in performance specifications and functional requirements have brought about the need for high temperature metallization technology to be developed for survivable DOD space systems and to enhance solar cell reliability. The temperature constitution phase diagrams of selected binary and ternary systems were reviewed to determine the temperature and type of phase transformation present in the alloy systems. Of paramount interest are the liquid-solid and solid-solid transformations. Data are being utilized to aid in the selection of electrical contact materials to gallium arsenide solar cells. Published data on the phase diagrams for binary systems is readily available. However, information for ternary systems is limited. A computer model is being developed which will enable the phase equilibrium predictions for ternary systems where experimental data is lacking.

Calibration of a dissolved-solids model for the Yampa River basin between Steamboat Springs and Maybell, northwestern Colorado

USGS Publications Warehouse

Parker, R.S.; Litke, D.W.

1987-01-01

The cumulative effects of changes in dissolved solids from a number of coal mines are needed to evaluate effects on downstream water use. A model for determining cumulative effects of streamflow, dissolved-solids concentration, and dissolved-solids load was calibrated for the Yampa River and its tributaries in northwestern Colorado. The model uses accounting principles. It establishes nodes on the stream system and sums water quantity and quality from node to node in the downstream direction. The model operates on a monthly time step for the study period that includes water years 1976 through 1981. Output is monthly mean streamflow, dissolved-solids concentration, and dissolved-solids load. Streamflow and dissolved-solids data from streamflow-gaging stations and other data-collection sites were used to define input data sets to initiate and to calibrate the model. The model was calibrated at four nodes and generally was within 10 percent of the observed values. The calibrated model can compute changes in dissolved-solids concentration or load resulting from the cumulative effects of new coal mines or the expansion of old coal mines in the Yampa River basin. (USGS)

NASA's Design and Development of a Field Goniometer Instrument Using Solid Works

NASA Technical Reports Server (NTRS)

Turner, Mark; Sasaki, Glen; Jennings, Ernest (Technical Monitor)

2000-01-01

With NASA suffering severe funding cutbacks, engineers at NASA are required to produce state-of-the-art hardware with limited personnel and financial resources. In light of these constraints, the new NASA mandate is to build better, faster and cheaper. In April of 1998, Stennis Space Center's Commercial Remote Sensing Program contracted to the Systems Engineering Division at NASA Ames Research Center to develop a device known as a Field Goniometer. A Field Goniometer is a device that measures bi-directional reflectance of a target, such as vegetation, relative to the sun and an imaging system in an aircraft or spacecraft. The device is able to provide a spectral fingerprint of the surface it is measuring in wavelengths from 350nm-2500nm using a hyperspectral imager. To accomplish this project, several obstacles had to be overcome. First, the design had to be completed in less than four months. Second, due to the complexity of the design, the use of solid modeling was highly desirable but most of the group's solid modelers were assigned to other jobs. Third, the amount of funding available from the customer was one half to one third the funding typically expended for a job of this nature. Our choices for this project were to design with standard 2-D CAD systems currently used in-house or train additional engineers on our existing solids package or purchase a new solid model package. The use of a 2D CAD system was very undesirable due to the complexity of the design. Using our existing solids modeler would have required a learning curve for our engineers that would be incompatible with our schedule. Prior to this project, a member of our design group researched the solid modeling industry and decided to purchase SolidWorks. After examining the product for ease of use, modeling capability, training time required and cost, we decided our highest probability of success would be to design with Solidworks. During the design phase, our fabrication group was able to provide input at the very early stages, which added significant benefit to the final product. Fabrication cost and schedule savings have been realized by having complex part geometries translated directly from the SolidWorks design models to Surfcam and other computer-aided manufacturing (CAM) software. This direct model translation capability optimized the fabrication processes. The end result was that we were able to successfully complete the project on time and on budget. Other advantages of using SolidWorks, as cited by the design team, include a rapid negotiation of the initial learning curve, the ability to develop solid model hardware prototypes (used to communicate the design intent to both the customer and the fabricator), and the ability to work as a team collaborating on a large, complex model. These types of tools and efforts represent our response to NASA's challenge to produce higher quality products within shorter design and fabrication times.

ENVIRONMENTAL TECHNOLOGY VERIFICATION: JOINT (NSF-EPA) VERIFICATION STATEMENT AND REPORT: TRITON SYSTEMS, LLC SOLID BOWL CENTRIFUGE, MODEL TS-5000

EPA Science Inventory

Verification testing of the Triton Systems, LLC Solid Bowl Centrifuge Model TS-5000 (TS-5000) was conducted at the Lake Wheeler Road Field Laboratory Swine Educational Unit in Raleigh, North Carolina. The TS-5000 was 48" in diameter and 30" deep, with a bowl capacity of 16 ft3. ...

Simulation of a dynamical ecotourism system with low carbon activity: A case from western China.

PubMed

He, Yuan; Huang, Ping; Xu, Hong

2018-01-15

Currently, sustainable tourism is becoming more and more important in developing ecological economies. To achieve low-carbon development, some industries, such as logistics and municipal solid waste, have already taken action, but tourism has not attached sufficient importance to this issue. This paper designs an ecotourism system including tourism, carbon waste (solid waste and sewage), and ecology (water supply and green areas) to simulate low-carbon ecotourism through a quantitative approach. This paper explores the tourism system as well as some interactive factors and studies their quantitative relationship based on historical data. A feedback-loop dynamical system model is designed to simulate tourism, waste carbon, and ecology simultaneously. Finally, a case study applying the feedback-loop dynamical system model to Leshan City, a typical travel destination with colorful natural resources in western China, is conducted to indicate the development of ecotourism in an environmentally friendly economy, which verifies the positive effects of the model. Results show a coordinating upward tendency of tourism, solid waste carbon, and ecology from the dynamical model. When tourism increases, solid waste accumulation increases; however, the amount of sewage dumped directly into nature decreases sharply. After analysis of investment policy scenarios, the research indicates that more funds for sewage treatment will attract more tourists. To maintain the equilibrium of carbon waste, more funds shall be invested in solid waste treatment in the long term. Some discussions about local policy are included. Copyright © 2017 Elsevier Ltd. All rights reserved.

Finite element meshing of ANSYS (trademark) solid models

NASA Technical Reports Server (NTRS)

Kelley, F. S.

1987-01-01

A large scale, general purpose finite element computer program, ANSYS, developed and marketed by Swanson Analysis Systems, Inc. is discussed. ANSYS was perhaps the first commercially available program to offer truly interactive finite element model generation. ANSYS's purpose is for solid modeling. This application is briefly discussed and illustrated.

Modeling Closed Equilibrium Systems of H2O-Dissolved CO2-Solid CaCO3.

PubMed

Tenno, Toomas; Uiga, Kalev; Mashirin, Alexsey; Zekker, Ivar; Rikmann, Ergo

2017-04-27

In many places in the world, including North Estonia, the bedrock is limestone, which consists mainly of CaCO 3 . Equilibrium processes in water involving dissolved CO 2 and solid CaCO 3 play a vital role in many biological and technological systems. The solubility of CaCO 3 in water is relatively low. Depending on the concentration of dissolved CO 2 , the solubility of CaCO 3 changes, which determines several important ground- and wastewater parameters, for example, Ca 2+ concentration and pH. The distribution of ions and molecules in the closed system solid H 2 O-dissolved CO 2 -solid CaCO 3 is described in terms of a structural scheme. Mathematical models were developed for the calculation of pH and concentrations of ions and molecules (Ca 2+ , CO 3 2- , HCO 3 - , H 2 CO 3 , CO 2 , H + , and OH - ) in the closed equilibrium system at different initial concentrations of CO 2 in the water phase using an iteration method. The developed models were then experimentally validated.

An inexact reverse logistics model for municipal solid waste management systems.

PubMed

Zhang, Yi Mei; Huang, Guo He; He, Li

2011-03-01

This paper proposed an inexact reverse logistics model for municipal solid waste management systems (IRWM). Waste managers, suppliers, industries and distributors were involved in strategic planning and operational execution through reverse logistics management. All the parameters were assumed to be intervals to quantify the uncertainties in the optimization process and solutions in IRWM. To solve this model, a piecewise interval programming was developed to deal with Min-Min functions in both objectives and constraints. The application of the model was illustrated through a classical municipal solid waste management case. With different cost parameters for landfill and the WTE, two scenarios were analyzed. The IRWM could reflect the dynamic and uncertain characteristics of MSW management systems, and could facilitate the generation of desired management plans. The model could be further advanced through incorporating methods of stochastic or fuzzy parameters into its framework. Design of multi-waste, multi-echelon, multi-uncertainty reverse logistics model for waste management network would also be preferred. Copyright © 2010 Elsevier Ltd. All rights reserved.

System for conversion between the boundary representation model and a constructive solid geometry model of an object

DOEpatents

Christensen, N.C.; Emery, J.D.; Smith, M.L.

1985-04-29

A system converts from the boundary representation of an object to the constructive solid geometry representation thereof. The system converts the boundary representation of the object into elemental atomic geometrical units or I-bodies which are in the shape of stock primitives or regularized intersections of stock primitives. These elemental atomic geometrical units are then represented in symbolic form. The symbolic representations of the elemental atomic geometrical units are then assembled heuristically to form a constructive solid geometry representation of the object usable for manufacturing thereof. Artificial intelligence is used to determine the best constructive solid geometry representation from the boundary representation of the object. Heuristic criteria are adapted to the manufacturing environment for which the device is to be utilized. The surface finish, tolerance, and other information associated with each surface of the boundary representation of the object are mapped onto the constructive solid geometry representation of the object to produce an enhanced solid geometry representation, particularly useful for computer-aided manufacture of the object. 19 figs.

Solid State Energy Conversion Alliance Delphi SOFC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steven Shaffer; Gary Blake; Sean Kelly

2006-12-31

The following report details the results under the DOE SECA program for the period July 2006 through December 2006. Developments pertain to the development of a 3 to 5 kW Solid Oxide Fuel Cell power system for a range of fuels and applications. This report details technical results of the work performed under the following tasks for the SOFC Power System: Task 1 SOFC System Development; Task 2 Solid Oxide Fuel Cell Stack Developments; Task 3 Reformer Developments; Task 4 Development of Balance of Plant Components; Task 5 Project Management; and Task 6 System Modeling & Cell Evaluation for Highmore » Efficiency Coal-Based Solid Oxide Fuel Cell Gas Turbine Hybrid System.« less

Revisiting low-fidelity two-fluid models for gas–solids transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adeleke, Najeem, E-mail: najm@psu.edu; Adewumi, Michael, E-mail: m2a@psu.edu; Ityokumbul, Thaddeus

Two-phase gas–solids transport models are widely utilized for process design and automation in a broad range of industrial applications. Some of these applications include proppant transport in gaseous fracking fluids, air/gas drilling hydraulics, coal-gasification reactors and food processing units. Systems automation and real time process optimization stand to benefit a great deal from availability of efficient and accurate theoretical models for operations data processing. However, modeling two-phase pneumatic transport systems accurately requires a comprehensive understanding of gas–solids flow behavior. In this study we discuss the prevailing flow conditions and present a low-fidelity two-fluid model equation for particulate transport. The modelmore » equations are formulated in a manner that ensures the physical flux term remains conservative despite the inclusion of solids normal stress through the empirical formula for modulus of elasticity. A new set of Roe–Pike averages are presented for the resulting strictly hyperbolic flux term in the system of equations, which was used to develop a Roe-type approximate Riemann solver. The resulting scheme is stable regardless of the choice of flux-limiter. The model is evaluated by the prediction of experimental results from both pneumatic riser and air-drilling hydraulics systems. We demonstrate the effect and impact of numerical formulation and choice of numerical scheme on model predictions. We illustrate the capability of a low-fidelity one-dimensional two-fluid model in predicting relevant flow parameters in two-phase particulate systems accurately even under flow regimes involving counter-current flow.« less

Identification of the states of the processes that occur on solid cathodes in the potentiostatic electrolysis mode using semantic diagram models

NASA Astrophysics Data System (ADS)

Smirnov, G. B.; Markina, S. E.; Tomashevich, V. G.

2011-02-01

A procedure is proposed to construct semantic diagram models for the electrolysis on a solid cathode in a salt halide melt under potentiostatic conditions. These models are intended to identify the static states of the system that correspond to a certain combination of the processes occurring on an electrode and in the system volume. Examples for discharging of univalent and polyvalent metals are given.

Modeling and testing of a tube-in-tube separation mechanism of bodies in space

NASA Astrophysics Data System (ADS)

Michaels, Dan; Gany, Alon

2016-12-01

A tube-in-tube concept for separation of bodies in space was investigated theoretically and experimentally. The separation system is based on generation of high pressure gas by combustion of solid propellant and restricting the expansion of the gas only by ejecting the two bodies in opposite directions, in such a fashion that maximizes generated impulse. An interior ballistics model was developed in order to investigate the potential benefits of the separation system for a large range of space body masses and for different design parameters such as geometry and propellant. The model takes into account solid propellant combustion, heat losses, and gas phase chemical reactions. The model shows that for large bodies (above 100 kg) and typical separation velocities of 5 m/s, the proposed separation mechanism may be characterized by a specific impulse of 25,000 s, two order of magnitude larger than that of conventional solid rockets. It means that the proposed separation system requires only 1% of the propellant mass that would be needed for a conventional rocket for the same mission. Since many existing launch vehicles obtain such separation velocities by using conventional solid rocket motors (retro-rockets), the implementation of the new separation system design can reduce dramatically the mass of the separation system and increase safety. A dedicated experimental setup was built in order to demonstrate the concept and validate the model. The experimental results revealed specific impulse values of up to 27,000 s and showed good correspondence with the model.

Particle-based solid for nonsmooth multidomain dynamics

NASA Astrophysics Data System (ADS)

Nordberg, John; Servin, Martin

2018-04-01

A method for simulation of elastoplastic solids in multibody systems with nonsmooth and multidomain dynamics is developed. The solid is discretised into pseudo-particles using the meshfree moving least squares method for computing the strain tensor. The particle's strain and stress tensor variables are mapped to a compliant deformation constraint. The discretised solid model thus fit a unified framework for nonsmooth multidomain dynamics simulations including rigid multibodies with complex kinematic constraints such as articulation joints, unilateral contacts with dry friction, drivelines, and hydraulics. The nonsmooth formulation allows for impact impulses to propagate instantly between the rigid multibody and the solid. Plasticity is introduced through an associative perfectly plastic modified Drucker-Prager model. The elastic and plastic dynamics are verified for simple test systems, and the capability of simulating tracked terrain vehicles driving on a deformable terrain is demonstrated.

Thermal System Modeling for Lunar and Martian Surface Regenerative Fuel Cell Systems

NASA Technical Reports Server (NTRS)

Gilligan, Ryan Patrick; Smith, Phillip James; Jakupca, Ian Joseph; Bennett, William Raymond; Guzik, Monica Christine; Fincannon, Homer J.

2017-01-01

The Advanced Exploration Systems (AES) Advanced Modular Power Systems (AMPS) Project is investigating different power systems for various lunar and Martian mission concepts. The AMPS Fuel Cell (FC) team has created two system-level models to evaluate the performance of regenerative fuel cell (RFC) systems employing different fuel cell chemistries. Proton Exchange Membrane fuel cells PEMFCs contain a polymer electrolyte membrane that separates the hydrogen and oxygen cavities and conducts hydrogen cations (protons) across the cell. Solid Oxide fuel cells (SOFCs) operate at high temperatures, using a zirconia-based solid ceramic electrolyte to conduct oxygen anions across the cell. The purpose of the modeling effort is to down select one fuel cell chemistry for a more detailed design effort. Figures of merit include the system mass, volume, round trip efficiency, and electrolyzer charge power required. PEMFCs operate at around 60 degrees Celsius versus SOFCs which operate at temperatures greater than 700 degrees Celsius. Due to the drastically different operating temperatures of the two chemistries the thermal control systems (TCS) differ. The PEM TCS is less complex and is characterized by a single pump cooling loop that uses deionized water coolant and rejects heat generated by the system to the environment via a radiator. The solid oxide TCS has its own unique challenges including the requirement to reject high quality heat and to condense the steam produced in the reaction. This paper discusses the modeling of thermal control systems for an extraterrestrial RFC that utilizes either a PEM or solid oxide fuel cell.

Development of a mathematical model for physical disintegration of flushable consumer products in wastewater systems.

PubMed

Karadagli, Fatih; McAvoy, Drew C; Rittmann, Bruce E

2009-05-01

The processes that flushable solid products may undergo after discharge to wastewater systems are (1) physical disintegration of solids resulting from turbulence, (2) direct dissolution of water-soluble components, (3) hydrolysis of solids to form soluble components, and (4) biodegradation of soluble and insoluble components. We develop a mathematical model for physical disintegration of flushable solid consumer products and test it with two different flushable products--product A, which has 40% water soluble-content, and product B, which has no water-soluble components. We present our modeling analysis of experimental results, from which we computed disintegration rate constants and fractional distribution coefficients for the disintegration of larger solids. The rate constants for solids of product A in units of (hour(-1)) are 0.45 for > 8-mm, 2.25 x 10(-2) for 4- to 8-mm, 0.9 x 10(-2) for 2- to 4-mm, and 1.26 x 10(-2) for 1- to 2-mm solids. The rate constants for solids of product B in units of hour(-1) are 1.8 for > 8-mm, 1.8 for 4- to 8-mm, 3.6 x 10(-1) for 2- to 4-mm, and 2.25 x 10(-3) for 1- to 2-mm solids. As indicated by the rate constants, larger solids disintegrate at a faster rate than smaller solids. In addition, product B disintegrated much faster and went mostly to the smallest size range, while product A disintegrated more slowly and was transferred to a range of intermediate solid sizes.

A multi-objective model for sustainable recycling of municipal solid waste.

PubMed

Mirdar Harijani, Ali; Mansour, Saeed; Karimi, Behrooz

2017-04-01

The efficient management of municipal solid waste is a major problem for large and populated cities. In many countries, the majority of municipal solid waste is landfilled or dumped owing to an inefficient waste management system. Therefore, an optimal and sustainable waste management strategy is needed. This study introduces a recycling and disposal network for sustainable utilisation of municipal solid waste. In order to optimise the network, we develop a multi-objective mixed integer linear programming model in which the economic, environmental and social dimensions of sustainability are concurrently balanced. The model is able to: select the best combination of waste treatment facilities; specify the type, location and capacity of waste treatment facilities; determine the allocation of waste to facilities; consider the transportation of waste and distribution of processed products; maximise the profit of the system; minimise the environmental footprint; maximise the social impacts of the system; and eventually generate an optimal and sustainable configuration for municipal solid waste management. The proposed methodology could be applied to any region around the world. Here, the city of Tehran, Iran, is presented as a real case study to show the applicability of the methodology.

Suspended solids transport: an analysis based on turbidity measurements and event based fully calibrated hydrodynamic models.

PubMed

Langeveld, J G; Veldkamp, R G; Clemens, F

2005-01-01

Modelling suspended solids transport is a key issue for predicting the pollution load discharged by CSOs. Nonetheless, there is still much debate on the main drivers for suspended solids transport and on the modelling approach to be adopted. Current sewer models provide suspended solids transport models. These models, however, rely upon erosion-deposition criteria developed in fluvial environments, therewith oversimplifying the sewer sediment characteristics. Consequently, the performance of these models is poor from a theoretical point of view. To get an improved understanding of the temporal and spatial variations in suspended solids transport, a measuring network was installed in the sewer system of Loenen in conjunction with a hydraulic measuring network from June through December 2001. During the measuring period, 15 storm events rendered high-quality data on both the hydraulics and the turbidity. For each storm event, a hydrodynamic model was calibrated using the Clemens' method. The conclusion of the paper is that modelling of suspended solids transport has been and will be one of the challenges in the field of urban drainage modelling. A direct relation of either shear stress or flow velocity with turbidity could not be found, likely because of the time varying characteristics of the suspended solids.

Solid state SPS microwave generation and transmission study. Volume 2, phase 2: Appendices

NASA Technical Reports Server (NTRS)

Maynard, O. E.

1980-01-01

The solid state sandwich concept for SPS was further defined. The design effort concentrated on the spacetenna, but did include some system analysis for parametric comparison reasons. Basic solid state microwave devices were defined and modeled. An initial conceptual subsystems and system design was performed as well as sidelobe control and system selection. The selected system concept and parametric solid state microwave power transmission system data were assessed relevant to the SPS concept. Although device efficiency was not a goal, the sensitivities to design of this efficiency were parametrically treated. Sidelobe control consisted of various single step tapers, multistep tapers and Gaussian tapers. A hybrid concept using tubes and solid state was evaluated. Thermal analyses are included with emphasis on sensitivities to waste heat radiator form factor, emissivity, absorptivity, amplifier efficiency, material and junction temperature.

"Going solid": a model of system dynamics and consequences for patient safety

PubMed Central

Cook, R; Rasmussen, J

2005-01-01



 Rather than being a static property of hospitals and other healthcare facilities, safety is dynamic and often on short time scales. In the past most healthcare delivery systems were loosely coupled—that is, activities and conditions in one part of the system had only limited effect on those elsewhere. Loose coupling allowed the system to buffer many conditions such as short term surges in demand. Modern management techniques and information systems have allowed facilities to reduce inefficiencies in operation. One side effect is the loss of buffers that previously accommodated demand surges. As a result, situations occur in which activities in one area of the hospital become critically dependent on seemingly insignificant events in seemingly distant areas. This tight coupling condition is called "going solid". Rasmussen's dynamic model of risk and safety can be used to formulate a model of patient safety dynamics that includes "going solid" and its consequences. Because the model addresses the dynamic aspects of safety, it is particularly suited to understanding current conditions in modern healthcare delivery and the way these conditions may lead to accidents. PMID:15805459

Transformation impacts of dissolved and solid phase Fe(II) on trichloroethylene (TCE) reduction in an iron-reducing bacteria (IRB) mixed column system: a mathematical model.

PubMed

Bae, Yeunook; Kim, Dooil; Cho, Hyun-Hee; Singhal, Naresh; Park, Jae-Woo

2012-12-01

In this research, we conducted trichloroethylene (TCE) reduction in a column filled with iron and iron-reducing bacteria (IRB) and developed a mathematical model to investigate the critical reactions between active species in iron/IRB/contaminant systems. The formation of ferrous iron (Fe(II)) in this system with IRB and zero-valent iron (ZVI, Fe(0)) coated with a ferric iron (Fe(III)) crust significantly affected TCE reduction and IRB respiration in various ways. This study presents a new framework for transformation property and reducing ability of both dissolved (Fe(II)(dissolved)) and solid form ferrous iron (Fe(II)(solid)). Results showed that TCE reduction was strongly depressed by Fe(II)(solid) rather than by other inhibitors (e.g., Fe(III) and lactate), suggesting that Fe(II)(solid) might reduce IRB activation due to attachment to IRB cells. Newly exposed Fe(0) from the released Fe(II)(dissolved) was a strong contributor to TCE reduction compared to Fe(II)(solid). In addition, our research confirmed that less Fe(II)(solid) production strongly supported long-term TCE reduction because it may create an easier TCE approach to Fe(0) or increase IRB growth. Our findings will aid the understanding of the contributions of iron media (e.g., Fe(II)(solid), Fe(II)(dissolved), Fe(III), and Fe(0)) to IRB for decontamination in natural groundwater systems. Copyright © 2012 Elsevier Ltd. All rights reserved.

Computational Methods for Nonlinear Dynamic Problems in Solid and Structural Mechanics: Progress in the Theory and Modeling of Friction and in the Control of Dynamical Systems with Frictional Forces

DTIC Science & Technology

1989-03-31

present several numerical studies designed to reveal the effect that some of the governing parameters have on the behavior of the system and, whenever...Friction and in the Control of Dynamical Systems with Frictional Forces FINAL TECHNICAL REPORT March 31, 1989 _ -- I -.7: .-.- - : AFOSR Contract F49620...SOLID AND STRUCTURAL MECHANICS: Progress in the Theory and Modeling of Friction and in the Control of Dynamical Systems with Frictional Forces I I * FINAL

Solid state SPS microwave generation and transmission study. Volume 1: Phase 2

NASA Technical Reports Server (NTRS)

Maynard, O. E.

1980-01-01

The solid state sandwich concept for Solar Power Station (SPS) was investigated. The design effort concentrated on the spacetenna, but did include some system analysis for parametric comparison reasons. The study specifically included definition and math modeling of basic solid state microwave devices, an initial conceptual subsystems and system design, sidelobe control and system selection, an assessment of selected system concept and parametric solid state microwave power transmission system data relevant to the SPS concept. Although device efficiency was not a goal, the sensitivities to design of this efficiency were parametrically treated. Sidelobe control consisted of various single step tapers, multistep tapers, and Gaussian tapers. A preliminary assessment of a hybrid concept using tubes and solid state is also included. There is a considerable amount of thermal analysis provided with emphasis on sensitivities to waste heat radiator form factor, emissivity, absorptivity, amplifier efficiency, material and junction temperature.

Thermal Design for Extra-Terrestrial Regenerative Fuel Cell System

NASA Technical Reports Server (NTRS)

Gilligan, R.; Guzik, M.; Jakupca, I.; Bennett, W.; Smith, P.; Fincannon, J.

2017-01-01

The Advanced Exploration Systems (AES) Advanced Modular Power Systems (AMPS) Project is investigating different power systems for various lunar and Martian mission concepts. The AMPS Fuel Cell (FC) team has created two system-level models to evaluate the performance of regenerative fuel cell (RFC) systems employing different fuel cell chemistries. Proton Exchange Membrane fuel cells PEMFCs contain a polymer electrolyte membrane that separates the hydrogen and oxygen cavities and conducts hydrogen cations (protons) across the cell. Solid Oxide fuel cells (SOFCs) operate at high temperatures, using a zirconia-based solid ceramic electrolyte to conduct oxygen anions across the cell. The purpose of the modeling effort is to down select one fuel cell chemistry for a more detailed design effort. Figures of merit include the system mass, volume, round trip efficiency, and electrolyzer charge power required. PEMFCs operate at around 60 C versus SOFCs which operate at temperatures greater than 700 C. Due to the drastically different operating temperatures of the two chemistries the thermal control systems (TCS) differ. The PEM TCS is less complex and is characterized by a single pump cooling loop that uses deionized water coolant and rejects heat generated by the system to the environment via a radiator. The solid oxide TCS has its own unique challenges including the requirement to reject high quality heat and to condense the steam produced in the reaction. This paper discusses the modeling of thermal control systems for an extraterrestrial RFC that utilizes either a PEM or solid oxide fuel cell.

Modeling the Capillary Pressure for the Migration of the Liquid Phase in Granular Solid-Liquid-Vapor Systems: Application to the Control of the Composition Profile in W-Cu FGM Materials

NASA Astrophysics Data System (ADS)

Missiaen, Jean-Michel; Raharijaona, Jean-Joël; Delannay, Francis

2016-11-01

A model is developed to compute the capillary pressure for the migration of the liquid phase out or into a uniform solid-liquid-vapor system. The capillary pressure is defined as the reduction of the overall interface energy per volume increment of the transferred fluid phase. The model takes into account the particle size of the solid particle aggregate, the packing configuration (coordination number, porosity), the volume fractions of the different phases, and the values of the interface energies in the system. The model is used for analyzing the stability of the composition profile during processing of W-Cu functionally graded materials combining a composition gradient with a particle size gradient. The migration pressure is computed with the model in two stages: (1) just after the melting of copper, i.e., when sintering and shape accommodation of the W particle aggregate can still be neglected and (2) at high temperature, when the system is close to full density with equilibrium particle shape. The model predicts well the different stages of liquid-phase migration observed experimentally.

Mass balance evaluation of polybrominated diphenyl ethers in landfill leachate and potential for transfer from e-waste.

PubMed

Danon-Schaffer, Monica N; Mahecha-Botero, Andrés; Grace, John R; Ikonomou, Michael

2013-09-01

Previous research on brominated flame retardants (BFRs), including polybrominated diphenyl ethers (PBDEs) has largely focussed on their concentrations in the environment and their adverse effects on human health. This paper explores their transfer from waste streams to water and soil. A comprehensive mass balance model is developed to track polybrominated diphenyl ethers (PBDEs), originating from e-waste and non-e-waste solids leaching from a landfill. Stepwise debromination is assumed to occur in three sub-systems (e-waste, aqueous leachate phase, and non-e-waste solids). Analysis of landfill samples and laboratory results from a solid-liquid contacting chamber are used to estimate model parameters to simulate an urban landfill system, for past and future scenarios. Sensitivity tests to key model parameters were conducted. Lower BDEs require more time to disappear than high-molecular weight PBDEs, since debromination takes place in a stepwise manner, according to the simplified reaction scheme. Interphase mass transfer causes the decay pattern to be similar in all three sub-systems. The aqueous phase is predicted to be the first sub-system to eliminate PBDEs if their input to the landfill were to be stopped. The non-e-waste solids would be next, followed by the e-waste sub-system. The model shows that mass transfer is not rate-limiting, but the evolution over time depends on the kinetic degradation parameters. Experimental scatter makes model testing difficult. Nevertheless, the model provides qualitative understanding of the influence of key variables. Copyright © 2013 Elsevier B.V. All rights reserved.

The Global Perspective on the Evolution of Solids in a Protoplanetary Disk

NASA Technical Reports Server (NTRS)

Stepinski, T. F.; Valageas, P.

1996-01-01

It is currently thought that planets around solar-type stars form by the accumulation of solid matter entrained in a gaseous, turbulent protoplanetary disk. We have developed a model designed to simulate the part of this process that starts from small particles suspended in the gaseous disk at the end of the formation stage, and ends up with most of the solid material aggregated into 1-10-km planetesimals. The major novelty of our approach is its emphasis on the global, comprehensive treatment of the problem, as our model simultaneously keeps track of the evolution of gas and solid particles due to gas-solid coupling, coagulation, sedimentation, and evaporation/condensation. The result of our calculations is the radial distribution of solid material circumnavigating a star in the form of a planetesimal swarm. Such a distribution should well approximate the radial apportionment of condensed components of the planets spread over the radial extent of the mature planetary system. Therefore we view our calculations as an attempt to predict the large-scale architecture of planetary systems and to assess their potential diversity. In particular, we have found that some initial conditions lead to all solids being lost to the star, but we can also identify initial conditions leading to a radial distribution of solid material quite reminiscent of what is found in our solar system.

Modeling of anaerobic degradation of solid slaughterhouse waste: inhibition effects of long-chain fatty acids or ammonia.

PubMed

Lokshina, L Y; Vavilin, V A; Salminen, E; Rintala, J

2003-01-01

The anaerobic bioconversion of solid poultry slaughterhouse wastes was kinetically investigated. The modified version of simulation model was applied for description of experimental data in mesophilic laboratory digester and assays. Additionally, stages of formation and consumption of long chain fatty acids (LCFA) were included in the model. Batch data on volatile solids, ammonium, acetate, butyrate, propionate, LCFA concentrations, pH level, cumulative volume, and methane partial pressure were used for model calibration. As a reference, the model was used to describe digestion of solid sorted household waste. Simulation results showed that an inhibition of polymer hydrolysis by volatile fatty acids and acetogenesis by NH3 or LCFA could be responsible for the complex system dynamics during degradation of lipid- and protein-rich wastes.

Development of a Reduced-Order Model for Reacting Gas-Solids Flow using Proper Orthogonal Decomposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

McDaniel, Dwayne; Dulikravich, George; Cizmas, Paul

2017-11-27

This report summarizes the objectives, tasks and accomplishments made during the three year duration of this research project. The report presents the results obtained by applying advanced computational techniques to develop reduced-order models (ROMs) in the case of reacting multiphase flows based on high fidelity numerical simulation of gas-solids flow structures in risers and vertical columns obtained by the Multiphase Flow with Interphase eXchanges (MFIX) software. The research includes a numerical investigation of reacting and non-reacting gas-solids flow systems and computational analysis that will involve model development to accelerate the scale-up process for the design of fluidization systems by providingmore » accurate solutions that match the full-scale models. The computational work contributes to the development of a methodology for obtaining ROMs that is applicable to the system of gas-solid flows. Finally, the validity of the developed ROMs is evaluated by comparing the results against those obtained using the MFIX code. Additionally, the robustness of existing POD-based ROMs for multiphase flows is improved by avoiding non-physical solutions of the gas void fraction and ensuring that the reduced kinetics models used for reactive flows in fluidized beds are thermodynamically consistent.« less

Modeling the hydrodynamic and electrochemical efficiency of semi-solid flow batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brunini, VE; Chiang, YM; Carter, WC

2012-05-01

A mathematical model of flow cell operation incorporating hydrodynamic and electrochemical effects in three dimensions is developed. The model and resulting simulations apply to recently demonstrated high energy-density semi-solid flow cells. In particular, state of charge gradients that develop during low flow rate operation and their effects on the spatial non-uniformity of current density within flow cells are quantified. A one-dimensional scaling model is also developed and compared to the full three-dimensional simulation. The models are used to demonstrate the impact of the choice of electrochemical couple on flow cell performance. For semi-solid flow electrodes, which can use solid activemore » materials with a wide variety of voltage-capacity responses, we find that cell efficiency is maximized for electrochemical couples that have a relatively flat voltage vs. capacity curve, operated under slow flow conditions. For example, in flow electrodes limited by macroscopic charge transport, an LiFePO4-based system requires one-third the polarization to reach the same cycling rate as an LiCoO2-based system, all else being equal. Our conclusions are generally applicable to high energy density flow battery systems, in which flow rates can be comparatively low for a given required power. (C) 2012 Elsevier Ltd. All rights reserved.« less

Surface complexation modeling of Cu(II) adsorption on mixtures of hydrous ferric oxide and kaolinite

PubMed Central

Lund, Tracy J; Koretsky, Carla M; Landry, Christopher J; Schaller, Melinda S; Das, Soumya

2008-01-01

Background The application of surface complexation models (SCMs) to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids. Results Cu adsorption was measured on pure hydrous ferric oxide (HFO), pure kaolinite (from two sources) and in systems containing mixtures of HFO and kaolinite over a wide range of pH, ionic strength, sorbate/sorbent ratios and, for the mixed solid systems, using a range of kaolinite/HFO ratios. Cu adsorption data measured for the HFO and kaolinite systems was used to derive diffuse layer surface complexation models (DLMs) describing Cu adsorption. Cu adsorption on HFO is reasonably well described using a 1-site or 2-site DLM. Adsorption of Cu on kaolinite could be described using a simple 1-site DLM with formation of a monodentate Cu complex on a variable charge surface site. However, for consistency with models derived for weaker sorbing cations, a 2-site DLM with a variable charge and a permanent charge site was also developed. Conclusion Component additivity predictions of speciation in mixed mineral systems based on DLM parameters derived for the pure mineral systems were in good agreement with measured data. Discrepancies between the model predictions and measured data were similar to those observed for the calibrated pure mineral systems. The results suggest that quantifying specific interactions between HFO and kaolinite in speciation models may not be necessary. However, before the component additivity approach can be applied to natural sediments and soils, the effects of aging must be further studied and methods must be developed to estimate reactive surface areas of solid constituents in natural samples. PMID:18783619

Adsorbent testing and mathematical modeling of a solid amine regenerative CO2 and H2O removal system

NASA Technical Reports Server (NTRS)

Jeng, F. F.; Williamson, R. G.; Quellette, F. A.; Edeen, M. A.; Lin, C. H.

1991-01-01

The paper examines the design and the construction details of the test bed built for testing a solid-amine-based Regenerable CO2 Removal System (RCRS) built at the NASA/Johnson Space Center for the extended Orbiter missions. The results of tests are presented, including those for the adsorption breakthrough and the adsorption and desorption of CO2 and H2O vapor. A model for predicting the performance of regenerative CO2 and H2O vapor adsorption of the solid amine system under various operating conditions was developed in parallel with the testing of the test stand, using the coefficient of mass transfer calculated from test results. The results of simulations are shown to predict the adsorption performance of the Extended Duration Orbiter test bed fairly well. For the application to the RCRS at various operating conditions the model has to be modified.

Lyophilization -Solid Waste Treatment

NASA Technical Reports Server (NTRS)

Litwiller, Eric; Flynn, Michael; Fisher, John; Reinhard, Martin

2004-01-01

This paper discusses the development of a solid waste treatment system that has been designed for a Mars transit exploration mission. The technology described is an energy-efficient lyophilization technique that is designed to recover water from spacecraft solid wastes. Candidate wastes include feces, concentrated brines from water processors, and other solid wastes that contain free water. The system is designed to operate as a stand-alone process or to be integrated into the International Space Station Waste Collection System. In the lyophilization process, water in an aqueous waste is frozen and then sublimed, separating the waste into a dried solid material and liquid water. The sublimed water is then condensed in a solid ice phase and then melted to generate a liquid product. In the subject system the waste solids are contained within a 0.2 micron bio-guard bag and after drying are removed from the system and stored in a secondary container. This technology is ideally suited to applications such as the Mars Reference Mission, where water recovery rates approaching 100% are desirable but production of CO2 is not. The system is designed to minimize power consumption through the use of thermoelectric heat pumps. The results of preliminary testing of a prototype system and testing of the final configuration are provided. A mathematical model of the system is also described.

Solid Oxide Fuel Cell Hybrid System for Distributed Power Generation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen Minh

2002-03-31

This report summarizes the work performed by Honeywell during the January 2002 to March 2002 reporting period under Cooperative Agreement DE-FC26-01NT40779 for the U. S. Department of Energy, National Energy Technology Laboratory (DOE/NETL) entitled ''Solid Oxide Fuel Cell Hybrid System for Distributed Power Generation''. The main objective of this project is to develop and demonstrate the feasibility of a highly efficient hybrid system integrating a planar Solid Oxide Fuel Cell (SOFC) and a turbogenerator. For this reporting period the following activities have been carried out: {lg_bullet} Conceptual system design trade studies were performed {lg_bullet} System-level performance model was created {lg_bullet}more » Dynamic control models are being developed {lg_bullet} Mechanical properties of candidate heat exchanger materials were investigated {lg_bullet} SOFC performance mapping as a function of flow rate and pressure was completed« less

Feasibility of solid oxide fuel cell dynamic hydrogen coproduction to meet building demand

NASA Astrophysics Data System (ADS)

Shaffer, Brendan; Brouwer, Jacob

2014-02-01

A dynamic internal reforming-solid oxide fuel cell system model is developed and used to simulate the coproduction of electricity and hydrogen while meeting the measured dynamic load of a typical southern California commercial building. The simulated direct internal reforming-solid oxide fuel cell (DIR-SOFC) system is controlled to become an electrical load following device that well follows the measured building load data (3-s resolution). The feasibility of the DIR-SOFC system to meet the dynamic building demand while co-producing hydrogen is demonstrated. The resulting thermal responses of the system to the electrical load dynamics as well as those dynamics associated with the filling of a hydrogen collection tank are investigated. The DIR-SOFC system model also allows for resolution of the fuel cell species and temperature distributions during these dynamics since thermal gradients are a concern for DIR-SOFC.

Simulation of energy buildups in solid-state regenerative amplifiers for 2-μm emitting lasers

NASA Astrophysics Data System (ADS)

Springer, Ramon; Alexeev, Ilya; Heberle, Johannes; Pflaum, Christoph

2018-02-01

A numerical model for solid-state regenerative amplifiers is presented, which is able to precisely simulate the quantitative energy buildup of stretched femtosecond pulses over passed roundtrips in the cavity. In detail, this model is experimentally validated with a Ti:Sapphire regenerative amplifier. Additionally, the simulation of a Ho:YAG based regenerative amplifier is conducted and compared to experimental data from literature. Furthermore, a bifurcation study of the investigated Ho:YAG system is performed, which leads to the identification of stable and instable operation regimes. The presented numerical model exhibits a well agreement to the experimental results from the Ti:Sapphire regenerative amplifier. Also, the gained pulse energy from the Ho:YAG system could be approximated closely, while the mismatch is explained with the monochromatic calculation of pulse amplification. Since the model is applicable to other solid-state gain media, it allows for the efficient design of future amplification systems based on regenerative amplification.

A SPECT system simulator built on the SolidWorks TM 3D-Design package.

PubMed

Li, Xin; Furenlid, Lars R

2014-08-17

We have developed a GPU-accelerated SPECT system simulator that integrates into instrument-design workflow [1]. This simulator includes a gamma-ray tracing module that can rapidly propagate gamma-ray photons through arbitrary apertures modeled by SolidWorks TM -created stereolithography (.STL) representations with a full complement of physics cross sections [2, 3]. This software also contains a scintillation detector simulation module that can model a scintillation detector with arbitrary scintillation crystal shape and light-sensor arrangement. The gamma-ray tracing module enables us to efficiently model aperture and detector crystals in SolidWorks TM and save them as STL file format, then load the STL-format model into this module to generate list-mode results of interacted gamma-ray photon information (interaction positions and energies) inside the detector crystals. The Monte-Carlo scintillation detector simulation module enables us to simulate how scintillation photons get reflected, refracted and absorbed inside a scintillation detector, which contributes to more accurate simulation of a SPECT system.

A SPECT system simulator built on the SolidWorksTM 3D design package

NASA Astrophysics Data System (ADS)

Li, Xin; Furenlid, Lars R.

2014-09-01

We have developed a GPU-accelerated SPECT system simulator that integrates into instrument-design work flow [1]. This simulator includes a gamma-ray tracing module that can rapidly propagate gamma-ray photons through arbitrary apertures modeled by SolidWorksTM-created stereolithography (.STL) representations with a full com- plement of physics cross sections [2, 3]. This software also contains a scintillation detector simulation module that can model a scintillation detector with arbitrary scintillation crystal shape and light-sensor arrangement. The gamma-ray tracing module enables us to efficiently model aperture and detector crystals in SolidWorksTM and save them as STL file format, then load the STL-format model into this module to generate list-mode results of interacted gamma-ray photon information (interaction positions and energies) inside the detector crystals. The Monte-Carlo scintillation detector simulation module enables us to simulate how scintillation photons get reflected, refracted and absorbed inside a scintillation detector, which contributes to more accurate simulation of a SPECT system.

Optimum municipal solid waste collection using geographical information system (GIS) and vehicle tracking for Pallavapuram municipality.

PubMed

Kanchanabhan, T E; Abbas Mohaideen, J; Srinivasan, S; Sundaram, V Lenin Kalyana

2011-03-01

Waste collection and transportation is the contact point between waste generators and waste management systems. A proposal for an innovative model for the collection and transportation of municipal solid waste (MSW) which is a part of a solid waste management system using a spatial geo database, integrated in a geographical information system (GIS) environment is presented. Pallavapuram is a fast-developing municipality of Chennai city in the southern suburbs about 20 km from Chennai, the state capital of Tamil Nadu in India. The disposal of MSW was previously occurring in an indiscriminate and irrational manner in the municipality. Hence in the present study an attempt was made to develop an engineered design of solid waste collection using GIS with a vehicle tracking system and final disposal by composting with investment costs. The GIS was used to analyse existing maps and data, to digitize the existing ward boundaries and to enter data about the wards and disposal sites. The proposed GIS model for solid waste disposal would give information on the planning of bins, vehicles and the optimal route. In the case of disposal, composting would be a successful strategy to accelerate the decomposition and stabilization of the biodegradable components of waste in MSW.

Forecasting municipal solid waste generation using prognostic tools and regression analysis.

PubMed

Ghinea, Cristina; Drăgoi, Elena Niculina; Comăniţă, Elena-Diana; Gavrilescu, Marius; Câmpean, Teofil; Curteanu, Silvia; Gavrilescu, Maria

2016-11-01

For an adequate planning of waste management systems the accurate forecast of waste generation is an essential step, since various factors can affect waste trends. The application of predictive and prognosis models are useful tools, as reliable support for decision making processes. In this paper some indicators such as: number of residents, population age, urban life expectancy, total municipal solid waste were used as input variables in prognostic models in order to predict the amount of solid waste fractions. We applied Waste Prognostic Tool, regression analysis and time series analysis to forecast municipal solid waste generation and composition by considering the Iasi Romania case study. Regression equations were determined for six solid waste fractions (paper, plastic, metal, glass, biodegradable and other waste). Accuracy Measures were calculated and the results showed that S-curve trend model is the most suitable for municipal solid waste (MSW) prediction. Copyright © 2016 Elsevier Ltd. All rights reserved.

Development of an image converter of radical design. [employing solid state electronics towards the production of an advanced engineering model camera system

NASA Technical Reports Server (NTRS)

Irwin, E. L.; Farnsworth, D. L.

1972-01-01

A long term investigation of thin film sensors, monolithic photo-field effect transistors, and epitaxially diffused phototransistors and photodiodes to meet requirements to produce acceptable all solid state, electronically scanned imaging system, led to the production of an advanced engineering model camera which employs a 200,000 element phototransistor array (organized in a matrix of 400 rows by 500 columns) to secure resolution comparable to commercial television. The full investigation is described for the period July 1962 through July 1972, and covers the following broad topics in detail: (1) sensor monoliths; (2) fabrication technology; (3) functional theory; (4) system methodology; and (5) deployment profile. A summary of the work and conclusions are given, along with extensive schematic diagrams of the final solid state imaging system product.

Shall we upgrade one-dimensional secondary settler models used in WWTP simulators? - An assessment of model structure uncertainty and its propagation.

PubMed

Plósz, Benedek Gy; De Clercq, Jeriffa; Nopens, Ingmar; Benedetti, Lorenzo; Vanrolleghem, Peter A

2011-01-01

In WWTP models, the accurate assessment of solids inventory in bioreactors equipped with solid-liquid separators, mostly described using one-dimensional (1-D) secondary settling tank (SST) models, is the most fundamental requirement of any calibration procedure. Scientific knowledge on characterising particulate organics in wastewater and on bacteria growth is well-established, whereas 1-D SST models and their impact on biomass concentration predictions are still poorly understood. A rigorous assessment of two 1-DSST models is thus presented: one based on hyperbolic (the widely used Takács-model) and one based on parabolic (the more recently presented Plósz-model) partial differential equations. The former model, using numerical approximation to yield realistic behaviour, is currently the most widely used by wastewater treatment process modellers. The latter is a convection-dispersion model that is solved in a numerically sound way. First, the explicit dispersion in the convection-dispersion model and the numerical dispersion for both SST models are calculated. Second, simulation results of effluent suspended solids concentration (XTSS,Eff), sludge recirculation stream (XTSS,RAS) and sludge blanket height (SBH) are used to demonstrate the distinct behaviour of the models. A thorough scenario analysis is carried out using SST feed flow rate, solids concentration, and overflow rate as degrees of freedom, spanning a broad loading spectrum. A comparison between the measurements and the simulation results demonstrates a considerably improved 1-D model realism using the convection-dispersion model in terms of SBH, XTSS,RAS and XTSS,Eff. Third, to assess the propagation of uncertainty derived from settler model structure to the biokinetic model, the impact of the SST model as sub-model in a plant-wide model on the general model performance is evaluated. A long-term simulation of a bulking event is conducted that spans temperature evolution throughout a summer/winter sequence. The model prediction in terms of nitrogen removal, solids inventory in the bioreactors and solids retention time as a function of the solids settling behaviour is investigated. It is found that the settler behaviour, simulated by the hyperbolic model, can introduce significant errors into the approximation of the solids retention time and thus solids inventory of the system. We demonstrate that these impacts can potentially cause deterioration of the predictive power of the biokinetic model, evidenced by an evaluation of the system's nitrogen removal efficiency. The convection-dispersion model exhibits superior behaviour, and the use of this type of model thus is highly recommended, especially bearing in mind future challenges, e.g., the explicit representation of uncertainty in WWTP models.

Landfill area estimation based on integrated waste disposal options and solid waste forecasting using modified ANFIS model.

PubMed

Younes, Mohammad K; Nopiah, Z M; Basri, N E Ahmad; Basri, H; Abushammala, Mohammed F M; Younes, Mohammed Y

2016-09-01

Solid waste prediction is crucial for sustainable solid waste management. The collection of accurate waste data records is challenging in developing countries. Solid waste generation is usually correlated with economic, demographic and social factors. However, these factors are not constant due to population and economic growth. The objective of this research is to minimize the land requirements for solid waste disposal for implementation of the Malaysian vision of waste disposal options. This goal has been previously achieved by integrating the solid waste forecasting model, waste composition and the Malaysian vision. The modified adaptive neural fuzzy inference system (MANFIS) was employed to develop a solid waste prediction model and search for the optimum input factors. The performance of the model was evaluated using the root mean square error (RMSE) and the coefficient of determination (R(2)). The model validation results are as follows: RMSE for training=0.2678, RMSE for testing=3.9860 and R(2)=0.99. Implementation of the Malaysian vision for waste disposal options can minimize the land requirements for waste disposal by up to 43%. Copyright © 2015 Elsevier Ltd. All rights reserved.

Three-Loop Automatic of Control System the Landfill of Household Solid Waste

NASA Astrophysics Data System (ADS)

Sereda, T. G.; Kostarev, S. N.

2017-05-01

The analysis of models of governance ground municipal solid waste (MSW). Considered a distributed circuit (spatio-temporal) ground control model. Developed a dynamic model of multicontour control landfill. Adjustable parameters are defined (the ratio of CH4 CO2 emission/fluxes, concentrations of heavy metals ions) and control (purging array, irrigation, adding reagents). Based on laboratory studies carried out with the analysis of equity flows and procedures developed by the transferring matrix that takes into account the relationship control loops. A system of differential equations in the frequency and time domains. Given the numerical approaches solving systems of differential equations in finite differential form.

Thermodynamic Study of Solid-Liquid Equilibrium in NaCl-NaBr-H2O System at 288.15 K

NASA Astrophysics Data System (ADS)

Li, Dan; Meng, Ling-zong; Deng, Tian-long; Guo, Ya-fei; Fu, Qing-Tao

2018-06-01

The solubility data, composition of the solid solution and refractive indices of the NaCl-NaBr-H2O system at 288.15 K were studied with the isothermal equilibrium dissolution method. The solubility diagram and refractive index diagram of this system were plotted at 288.15 K. The solubility diagram consists of two crystallization zones for solid solution Na(Cl,Br) · 2H2O and Na(Cl,Br), one invariant points cosaturated with two solid solution and two univariant solubility isothermal curves. On the basis of Pitzer and Harvie-Weare (HW) chemical models, the composition equations and solubility equilibrium constant equations of the solid solutions at 288.15 K were acquired using the solubility data, the composition of solid solutions, and binary Pitzer parameters. The solubilities calculated using the new method combining the equations are in good agreement with the experimental data.

Development of solid tunable optics for ultra-miniature imaging systems

NASA Astrophysics Data System (ADS)

Yongchao, Zou

This thesis focuses on the optimal design, fabrication and testing of solid tunable optics and exploring their applications in miniature imaging systems. It starts with the numerical modelling of such lenses, followed by the optimum design method and alignment tolerance analysis. A miniature solid tunable lens driven by a piezo actuator is then developed. To solve the problem of limited maximum optical power and tuning range in conventional lens designs, a novel multi-element solid tunable lens is proposed and developed. Inspired by the Alvarez principle, a novel miniature solid tunable dual-focus lens, which is designed using freeform surfaces and driven by one micro-electro-mechanical-systems (MEMS) rotary actuator, is demonstrated. To explore the applications of these miniature solid tunable lenses, a miniature adjustable-focus endoscope and one compact adjustable-focus camera module are developed. The adjustable-focus capability of these two miniature imaging systems is fully proved by electrically focusing targets placed at different positions.

Solid waste forecasting using modified ANFIS modeling.

PubMed

Younes, Mohammad K; Nopiah, Z M; Basri, N E Ahmad; Basri, H; Abushammala, Mohammed F M; K N A, Maulud

2015-10-01

Solid waste prediction is crucial for sustainable solid waste management. Usually, accurate waste generation record is challenge in developing countries which complicates the modelling process. Solid waste generation is related to demographic, economic, and social factors. However, these factors are highly varied due to population and economy growths. The objective of this research is to determine the most influencing demographic and economic factors that affect solid waste generation using systematic approach, and then develop a model to forecast solid waste generation using a modified Adaptive Neural Inference System (MANFIS). The model evaluation was performed using Root Mean Square Error (RMSE), Mean Absolute Error (MAE) and the coefficient of determination (R²). The results show that the best input variables are people age groups 0-14, 15-64, and people above 65 years, and the best model structure is 3 triangular fuzzy membership functions and 27 fuzzy rules. The model has been validated using testing data and the resulted training RMSE, MAE and R² were 0.2678, 0.045 and 0.99, respectively, while for testing phase RMSE =3.986, MAE = 0.673 and R² = 0.98. To date, a few attempts have been made to predict the annual solid waste generation in developing countries. This paper presents modeling of annual solid waste generation using Modified ANFIS, it is a systematic approach to search for the most influencing factors and then modify the ANFIS structure to simplify the model. The proposed method can be used to forecast the waste generation in such developing countries where accurate reliable data is not always available. Moreover, annual solid waste prediction is essential for sustainable planning.

High-solids anaerobic co-digestion of sewage sludge and food waste in comparison with mono digestions: stability and performance.

PubMed

Dai, Xiaohu; Duan, Nina; Dong, Bin; Dai, Lingling

2013-02-01

System stability and performance of high-solids anaerobic co-digestion of dewatered sludge (DS) and food waste (FW) in comparison with mono digestions were investigated. System stability was improved in co-digestion systems with co-substrate acting as a diluting agent to toxic chemicals like ammonia or Na(+). For high-solids digestion of DS, the addition of FW not only improved system stability but also greatly enhanced volumetric biogas production. For high-solids digestion of FW, the addition of DS could reduce Na(+) concentration and help maintain satisfactory stability during the conversion of FW into biogas. System performances of co-digestion systems were mainly determined by the mixing ratios of DS and FW. Biogas production and volatile solids (VSs) reduction in digestion of the co-mixture of DS and FW increased linearly with higher ratios of FW. A kinetic model, which aimed to forecast the performance of co-digestion and to assist reactor design, was developed from long-term semi-continuous experiments. Maximum VS reduction for DS and FW was estimated to be 44.3% and 90.3%, respectively, and first order constant k was found to be 0.17d(-1) and 0.50 d(-1), respectively. Experimental data of co-digestion were in good conformity to the predictions of the model. Copyright © 2012 Elsevier Ltd. All rights reserved.

Endo-Fullerene and Doped Diamond Nanocrystallite Based Models of Qubits for Solid-State Quantum Computers

NASA Technical Reports Server (NTRS)

Park, Seongjun; Srivastava, Deepak; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)

2001-01-01

Models of encapsulated 1/2 nuclear spin H-1 and P-31 atoms in fullerene and diamond nanocrystallite, respectively, are proposed and examined with ab-initio local density functional method for possible applications as single quantum bits (qubits) in solid-state quantum computers. A H-1 atom encapsulated in a fully deuterated fullerene, C(sub 20)D(sub 20), forms the first model system and ab-initio calculation shows that H-1 atom is stable in atomic state at the center of the fullerene with a barrier of about 1 eV to escape. A P-31 atom positioned at the center of a diamond nanocrystallite is the second model system, and 3 1P atom is found to be stable at the substitutional site relative to interstitial sites by 15 eV, Vacancy formation energy is 6 eV in diamond so that substitutional P-31 atom will be stable against diffusion during the formation mechanisms within the nanocrystallite. The coupling between the nuclear spin and weakly bound (valance) donor electron coupling in both systems is found to be suitable for single qubit applications, where as the spatial distributions of (valance) donor electron wave functions are found to be preferentially spread along certain lattice directions facilitating two or more qubit applications. The feasibility of the fabrication pathways for both model solid-state qubit systems within practical quantum computers is discussed with in the context of our proposed solid-state qubits.

Toward building an anatomically correct solid eye model with volumetric representation of retinal morphology

NASA Astrophysics Data System (ADS)

Zawadzki, Robert J.; Rowe, T. Scott; Fuller, Alfred R.; Hamann, Bernd; Werner, John S.

2010-02-01

An accurate solid eye model (with volumetric retinal morphology) has many applications in the field of ophthalmology, including evaluation of ophthalmic instruments and optometry/ophthalmology training. We present a method that uses volumetric OCT retinal data sets to produce an anatomically correct representation of three-dimensional (3D) retinal layers. This information is exported to a laser scan system to re-create it within solid eye retinal morphology of the eye used in OCT testing. The solid optical model eye is constructed from PMMA acrylic, with equivalent optical power to that of the human eye (~58D). Additionally we tested a water bath eye model from Eyetech Ltd. with a customized retina consisting of five layers of ~60 μm thick biaxial polypropylene film and hot melt rubber adhesive.

Ice Layer Spreading along a Solid Substrate during Solidification of Supercooled Water: Experiments and Modeling.

PubMed

Schremb, Markus; Campbell, James M; Christenson, Hugo K; Tropea, Cameron

2017-05-16

The thermal influence of a solid wall on the solidification of a sessile supercooled water drop is experimentally investigated. The velocity of the initial ice layer propagating along the solid substrate prior to dendritic solidification is determined from videos captured using a high-speed video system. Experiments are performed for varying substrate materials and liquid supercooling. In contrast to recent studies at moderate supercooling, in the case of metallic substrates only a weak influence of the substrate's thermal properties on the ice layer velocity is observed. Using the analytical solution of the two-phase Stefan problem, a semiempirical model for the ice layer velocity is developed. The experimental data are well described for all supercooling levels in the entire diffusion limited solidification regime. For higher supercooling, the model overestimates the freezing velocity due to kinetic effects during molecular attachment at the solid-liquid interface, which are not accounted for in the model. The experimental findings of the present work offer a new perspective on the design of anti-icing systems.

Modelling dewatering behaviour through an understanding of solids formation processes. Part II--solids separation considerations.

PubMed

Dustan, A C; Cohen, B; Petrie, J G

2005-05-30

An understanding of the mechanisms which control solids formation can provide information on the characteristics of the solids which are formed. The nature of the solids formed in turn impacts on dewatering behaviour. The 'upstream' solids formation determines a set of suspension characteristics: solids concentration, particle size distribution, solution ionic strength and electrostatic surface potential. These characteristics together define the suspension's rheological properties. However, the complicated interdependence of these has precluded the prediction of suspension rheology from such a fundamental description of suspension characteristics. Recent shear yield stress models, applied in this study to compressive yield, significantly reduce the empiricism required for the description of compressive rheology. Suspension compressibility and permeability uniquely define the dewatering behaviour, described in terms of settling, filtration and mechanical expression. These modes of dewatering may be described in terms of the same fundamental suspension mechanics model. In this way, it is possible to link dynamically the processes of solids formation and dewatering of the resultant suspension. This, ultimately, opens the door to improved operability of these processes. In part I of this paper we introduced an integrated system model for solids formation and dewatering. This model was demonstrated for the upstream processes using experimental data. In this current paper models of colloidal interactions and dewatering are presented and compared to experimental results from batch filtration tests. A novel approach to predicting suspension compressibility and permeability using a single test configuration is presented and tested.

Solid waste treatment processes for space station

NASA Technical Reports Server (NTRS)

Marrero, T. R.

1983-01-01

The purpose of this study was to evaluate the state-of-the-art of solid waste(s) treatment processes applicable to a Space Station. From the review of available information a source term model for solid wastes was determined. An overall system is proposed to treat solid wastes under constraints of zero-gravity and zero-leakage. This study contains discussion of more promising potential treatment processes, including supercritical water oxidation, wet air (oxygen) oxidation, and chemical oxidation. A low pressure, batch-type treament process is recommended. Processes needed for pretreatment and post-treatment are hardware already developed for space operations. The overall solid waste management system should minimize transfer of wastes from their collection point to treatment vessel.

Shuttle Systems 3-D Applications: Application of 3-D Graphics in Engineering Training for Shuttle Ground Processing

NASA Technical Reports Server (NTRS)

Godfrey, Gary S.

2003-01-01

This project illustrates an animation of the orbiter mate to the external tank, an animation of the OMS POD installation to the orbiter, and a simulation of the landing gear mechanism at the Kennedy Space Center. A detailed storyboard was created to reflect each animation or simulation. Solid models were collected and translated into Pro/Engineer's prt and asm formats. These solid models included computer files of the: orbiter, external tank, solid rocket booster, mobile launch platform, transporter, vehicle assembly building, OMS POD fixture, and landing gear. A depository of the above solid models was established. These solid models were translated into several formats. This depository contained the following files: stl for sterolithography, stp for neutral file work, shrinkwrap for compression, tiff for photoshop work, jpeg for Internet use, and prt and asm for Pro/Engineer use. Solid models were created of the material handling sling, bay 3 platforms, and orbiter contact points. Animations were developed using mechanisms to reflect each storyboard. Every effort was made to build all models technically correct for engineering use. The result was an animated routine that could be used by NASA for training material handlers and uncovering engineering safety issues.

Model of lidar range-Doppler signatures of solid rocket fuel plumes

NASA Astrophysics Data System (ADS)

Bankman, Isaac N.; Giles, John W.; Chan, Stephen C.; Reed, Robert A.

2004-09-01

The analysis of particles produced by solid rocket motor fuels relates to two types of studies: the effect of these particles on the Earth's ozone layer, and the dynamic flight behavior of solid fuel boosters used by the NASA Space Shuttle. Since laser backscatter depends on the particle size and concentration, a lidar system can be used to analyze the particle distributions inside a solid rocket plume in flight. We present an analytical model that simulates the lidar returns from solid rocket plumes including effects of beam profile, spot size, polarization and sensing geometry. The backscatter and extinction coefficients of alumina particles are computed with the T-matrix method that can address non-spherical particles. The outputs of the model include time-resolved return pulses and range-Doppler signatures. Presented examples illustrate the effects of sensing geometry.

Seasonal multiphase equilibria in the atmospheres of Titan and Pluto

NASA Astrophysics Data System (ADS)

Tan, S. P.; Kargel, J. S.

2017-12-01

At the extremely low temperatures in Titan's upper troposphere and on Pluto's surface, the atmospheres as a whole are subject to freeze into solid solutions, not pure ices. The presence of the solid phases introduces conditions with rich phase equilibria upon seasonal changes, even if the temperature undergoes only small changes. For the first time, the profile of atmospheric methane in Titan's troposphere will be reproduced complete with the solid solutions. This means that the freezing point, i.e. the altitude where the first solid phase appears, is determined. The seasonal change will also be evaluated both at the equator and the northern polar region. For Pluto, also for the first time, the seasonal solid-vapor equilibria will be evaluated. The fate of the two solid phases, the methane-rich and carbon-monoxide-rich solid solutions, will be analyzed upon temperature and pressure changes. Such investigations are enabled by the development of a molecular-based thermodynamic model for cryogenic chemical systems, referred to as CRYOCHEM, which includes solid solutions in its phase-equilibria calculations. The atmospheres of Titan and Pluto are modeled as ternary gas mixtures: nitrogen-methane-ethane and nitrogen-methane-carbon monoxide, respectively. Calculations using CRYOCHEM can provide us with compositions not only in two-phase equilibria, but also that in three-phase equilibria. Densities of all phases involved will also be calculated. For Titan, density inversion between liquid and solid phases will be identified and presented. In the inversion, the density of solid phase is less than that in the liquid phase. The method and results of this work will be useful for further investigations and modeling on the atmospheres of Titan, Pluto, and other bodies with similar conditions in the Solar System and beyond.

Developpement de techniques numeriques pour l'estimation, la modelisation et la prediction de proprietes thermodynamiques et structurales de systems metalliques a fort ordonnancement chimique

NASA Astrophysics Data System (ADS)

Harvey, Jean-Philippe

In this work, the possibility to calculate and evaluate with a high degree of precision the Gibbs energy of complex multiphase equilibria for which chemical ordering is explicitly and simultaneously considered in the thermodynamic description of solid (short range order and long range order) and liquid (short range order) metallic phases is studied. The cluster site approximation (CSA) and the cluster variation method (CVM) are implemented in a new minimization technique of the Gibbs energy of multicomponent and multiphase systems to describe the thermodynamic behaviour of metallic solid solutions showing strong chemical ordering. The modified quasichemical model in the pair approximation (MQMPA) is also implemented in the new minimization algorithm presented in this work to describe the thermodynamic behaviour of metallic liquid solutions. The constrained minimization technique implemented in this work consists of a sequential quadratic programming technique based on an exact Newton’s method (i.e. the use of exact second derivatives in the determination of the Hessian of the objective function) combined to a line search method to identify a direction of sufficient decrease of the merit function. The implementation of a new algorithm to perform the constrained minimization of the Gibbs energy is justified by the difficulty to identify, in specific cases, the correct multiphase assemblage of a system where the thermodynamic behaviour of the equilibrium phases is described by one of the previously quoted models using the FactSage software (ex.: solid_CSA+liquid_MQMPA; solid1_CSA+solid2_CSA). After a rigorous validation of the constrained Gibbs energy minimization algorithm using several assessed binary and ternary systems found in the literature, the CVM and the CSA models used to describe the energetic behaviour of metallic solid solutions present in systems with key industrial applications such as the Cu-Zr and the Al-Zr systems are parameterized using fully consistent thermodynamic an structural data generated from a Monte Carlo (MC) simulator also implemented in the framework of this project. In this MC simulator, the modified embedded atom model in the second nearest neighbour formalism (MEAM-2NN) is used to describe the cohesive energy of each studied structure. A new Al-Zr MEAM-2NN interatomic potential needed to evaluate the cohesive energy of the condensed phases of this system is presented in this work. The thermodynamic integration (TI) method implemented in the MC simulator allows the evaluation of the absolute Gibbs energy of the considered solid or liquid structures. The original implementation of the TI method allowed us to evaluate theoretically for the first time all the thermodynamic mixing contributions (i.e., mixing enthalpy and mixing entropy contributions) of a metallic liquid (Cu-Zr and Al-Zr) and of a solid solution (face-centered cubic (FCC) Al-Zr solid solution) described by the MEAM-2NN. Thermodynamic and structural data obtained from MC and molecular dynamic simulations are then used to parameterize the CVM for the Al-Zr FCC solid solution and the MQMPA for the Al-Zr and the Cu-Zr liquid phase respectively. The extended thermodynamic study of these systems allow the introduction of a new type of configuration-dependent excess parameters in the definition of the thermodynamic function of solid solutions described by the CVM or the CSA. These parameters greatly improve the precision of these thermodynamic models based on experimental evidences found in the literature. A new parameterization approach of the MQMPA model of metallic liquid solutions is presented throughout this work. In this new approach, calculated pair fractions obtained from MC/MD simulations are taken into account as well as configuration-independent volumetric relaxation effects (regular like excess parameters) in order to parameterize precisely the Gibbs energy function of metallic melts. The generation of a complete set of fully consistent thermodynamic, physical and structural data for solid, liquid, and stoichiometric compounds and the subsequent parameterization of their respective thermodynamic model lead to the first description of the complete Al-Zr phase diagram in the range of composition [0 ≤ XZr ≤ 5 / 9] based on theoretical and fully consistent thermodynamic properties. MC and MD simulations are performed for the Al-Zr system to define for the first time the precise thermodynamic behaviour of the amorphous phase for its entire range of composition. Finally, all the thermodynamic models for the liquid phase, the FCC solid solution and the amorphous phase are used to define conditions based on thermodynamic and volumetric considerations that favor the amorphization of Al-Zr alloys.

A quantitative model to evaluate solubility relationship of polymorphs from their thermal properties.

PubMed

Mao, Chen; Pinal, Rodolfo; Morris, Kenneth R

2005-07-01

The objective of the study is to develop a model to estimate the solubility ratio of two polymorphic forms based on the calculation of the free energy difference of two forms at any temperature. This model can be used for compounds with low solubility (a few mole percent) in which infinite dilution can be approximated. The model is derived using the melting temperature and heat of fusion for apparent monotropic systems, and the solid-solid transition temperature and heat of transition for apparent enantiotropic systems. A rigorous derivation also requires heat capacity (Cp) measurement of liquid and two solid forms. This model is validated by collecting thermal properties of polymorphs for several drugs using conventional or modulated differential scanning calorimetry. From these properties the solubility ratio of two polymorphs is evaluated using the model and compared with the experimental value at different temperatures. The predicted values using the full model agree well with the experimental ones. For the purpose of easy measurement, working equations without Cp terms are also applied. Ignoring Cp may result in an error of 10% or less, suggesting that the working equation is applicable in practice. Additional error may be generated for the apparent enantiotropic systems due to the inconsistency between the observed solid-solid transition temperature and the true thermodynamic transition temperature. This inconsistency allows the predicted solubility ratios (low melt/high melt) to be smaller. Therefore, a correction factor of 1.1 is recommended to reduce the error when the working equation is used to estimate the solubility ratio of an enantiotropic system. The study of the free energy changes of two crystalline forms of a drug allows for the development of a model that successfully predicts the solubility ratio at any temperature from their thermal properties. This model provides a thermodynamic foundation as to how the free energy difference of two polymorphs is reflected by their equilibrium solubilities. It also provides a quick and practical way of evaluating the relative solubility of two polymorphs from single differential scanning calorimetry runs.

Mathematical analysis of compressive/tensile molecular and nuclear structures

NASA Astrophysics Data System (ADS)

Wang, Dayu

Mathematical analysis in chemistry is a fascinating and critical tool to explain experimental observations. In this dissertation, mathematical methods to present chemical bonding and other structures for many-particle systems are discussed at different levels (molecular, atomic, and nuclear). First, the tetrahedral geometry of single, double, or triple carbon-carbon bonds gives an unsatisfying demonstration of bond lengths, compared to experimental trends. To correct this, Platonic solids and Archimedean solids were evaluated as atoms in covalent carbon or nitrogen bond systems in order to find the best solids for geometric fitting. Pentagonal solids, e.g. the dodecahedron and icosidodecahedron, give the best fit with experimental bond lengths; an ideal pyramidal solid which models covalent bonds was also generated. Second, the macroscopic compression/tension architectural approach was applied to forces at the molecular level, considering atomic interactions as compressive (repulsive) and tensile (attractive) forces. Two particle interactions were considered, followed by a model of the dihydrogen molecule (H2; two protons and two electrons). Dihydrogen was evaluated as two different types of compression/tension structures: a coaxial spring model and a ring model. Using similar methods, covalent diatomic molecules (made up of C, N, O, or F) were evaluated. Finally, the compression/tension model was extended to the nuclear level, based on the observation that nuclei with certain numbers of protons/neutrons (magic numbers) have extra stability compared to other nucleon ratios. A hollow spherical model was developed that combines elements of the classic nuclear shell model and liquid drop model. Nuclear structure and the trend of the "island of stability" for the current and extended periodic table were studied.

Stochastic modeling of total suspended solids (TSS) in urban areas during rain events.

PubMed

Rossi, Luca; Krejci, Vladimir; Rauch, Wolfgang; Kreikenbaum, Simon; Fankhauser, Rolf; Gujer, Willi

2005-10-01

The load of total suspended solids (TSS) is one of the most important parameters for evaluating wet-weather pollution in urban sanitation systems. In fact, pollutants such as heavy metals, polycyclic aromatic hydrocarbons (PAHs), phosphorous and organic compounds are adsorbed onto these particles so that a high TSS load indicates the potential impact on the receiving waters. In this paper, a stochastic model is proposed to estimate the TSS load and its dynamics during rain events. Information on the various simulated processes was extracted from different studies of TSS in urban areas. The model thus predicts the probability of TSS loads arising from combined sewer overflows (CSOs) in combined sewer systems as well as from stormwater in separate sewer systems in addition to the amount of TSS retained in treatment devices in both sewer systems. The results of this TSS model illustrate the potential of the stochastic modeling approach for assessing environmental problems.

Phase relations in the system NaCl-KCl-H2O: V. Thermodynamic-PTX analysis of solid-liquid equilibria at high temperatures and pressures

USGS Publications Warehouse

Sterner, S.M.; Chou, I.-Ming; Downs, R.T.; Pitzer, Kenneth S.

1992-01-01

The Gibbs energies of mixing for NaCl-KCl binary solids and liquids and solid-saturated NaCl-KCl-H2O ternary liquids were modeled using asymmetric Margules treatments. The coefficients of the expressions were calibrated using an extensive array of binary solvus and solidus data, and both binary and ternary liquidus data. Over the PTX range considered, the system exhibits complete liquid miscibility among all three components and extensive solid solution along the anhydrous binary. Solid-liquid and solid-solid phase equilibria were calculated by using the resulting equations and invoking the equality of chemical potentials of NaCl and KCl between appropriate phases at equilibrium. The equations reproduce the ternary liquidus and predict activity coefficients for NaCl and KCl components in the aqueous liquid under solid-saturation conditions between 673 and 1200 K from vapor saturation up to 5 kbar. In the NaCl-KCl anhydrous binary system, the equations describe phase equilibria and predict activity coefficients of the salt components for all stable compositions of solid and liquid phases between room temperature and 1200 K and from 1 bar to 5 kbar. ?? 1992.

Viscoelastic propellant effects on Space Shuttle Dynamics

NASA Technical Reports Server (NTRS)

Bugg, F.

1981-01-01

The program of solid propellant research performed in support of the space shuttle dynamics modeling effort is described. Stiffness, damping, and compressibility of the propellant and the effects of many variables on these properties are discussed. The relationship between the propellant and solid rocket booster dynamics during liftoff and boost flight conditions and the effects of booster vibration and propellant stiffness on free free solid rocket booster modes are described. Coupled modes of the shuttle system and the effect of propellant stiffness on the interfaces of the booster and the external tank are described. A finite shell model of the solid rocket booster was developed.

Predicting phase equilibria in one-component systems

NASA Astrophysics Data System (ADS)

Korchuganova, M. R.; Esina, Z. N.

2015-07-01

It is shown that Simon equation coefficients for n-alkanes and n-alcohols can be modeled using critical and triple point parameters. Predictions of the phase liquid-vapor, solid-vapor, and liquid-solid equilibria in one-component systems are based on the Clausius-Clapeyron relation, Van der Waals and Simon equations, and the principle of thermodynamic similarity.

A novel approach to find and optimize bin locations and collection routes using a geographic information system.

PubMed

Erfani, Seyed Mohammad Hassan; Danesh, Shahnaz; Karrabi, Seyed Mohsen; Shad, Rouzbeh

2017-07-01

One of the major challenges in big cities is planning and implementation of an optimized, integrated solid waste management system. This optimization is crucial if environmental problems are to be prevented and the expenses to be reduced. A solid waste management system consists of many stages including collection, transfer and disposal. In this research, an integrated model was proposed and used to optimize two functional elements of municipal solid waste management (storage and collection systems) in the Ahmadabad neighbourhood located in the City of Mashhad - Iran. The integrated model was performed by modelling and solving the location allocation problem and capacitated vehicle routing problem (CVRP) through Geographic Information Systems (GIS). The results showed that the current collection system is not efficient owing to its incompatibility with the existing urban structure and population distribution. Application of the proposed model could significantly improve the storage and collection system. Based on the results of minimizing facilities analyses, scenarios with 100, 150 and 180 m walking distance were considered to find optimal bin locations for Alamdasht, C-metri and Koohsangi. The total number of daily collection tours was reduced to seven as compared to the eight tours carried out in the current system (12.50% reduction). In addition, the total number of required crews was minimized and reduced by 41.70% (24 crews in the current collection system vs 14 in the system provided by the model). The total collection vehicle routing was also optimized such that the total travelled distances during night and day working shifts was cut back by 53%.

Optimization of municipal solid waste management in Port Said - Egypt

DOE Office of Scientific and Technical Information (OSTI.GOV)

Badran, M.F.; El-Haggar, S.M.

2006-07-01

Optimization of solid waste management systems using operational research methodologies has not yet been applied in any Egyptian governorate. In this paper, a proposed model for a municipal solid waste management system in Port Said, Egypt is presented. It includes the use of the concept of collection stations, which have not yet been used in Egypt. Mixed integer programming is used to model the proposed system and its solution is performed using MPL software V4.2. The results show that the best model would include 27 collection stations of 15-ton daily capacity and 2 collection stations of 10 ton daily capacity.more » Any transfer of waste between the collection station and the landfill should not occur. Moreover, the flow of the district waste should not be confined to the district collection stations. The cost of the objective function for this solution is 10,122 LE/day (equivalent to US$1716). After further calculations, the profit generated by the proposed model is 49,655.8 LE/day (equivalent to US$8418.23)« less

The effect of dynamic scheduling and routing in a solid waste management system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johansson, Ola M.

2006-07-01

Solid waste collection and hauling account for the greater part of the total cost in modern solid waste management systems. In a recent initiative, 3300 Swedish recycling containers have been fitted with level sensors and wireless communication equipment, thereby giving waste collection operators access to real-time information on the status of each container. In this study, analytical modeling and discrete-event simulation have been used to evaluate different scheduling and routing policies utilizing the real-time data. In addition to the general models developed, an empirical simulation study has been performed on the downtown recycling station system in Malmoe, Sweden. From themore » study, it can be concluded that dynamic scheduling and routing policies exist that have lower operating costs, shorter collection and hauling distances, and reduced labor hours compared to the static policy with fixed routes and pre-determined pick-up frequencies employed by many waste collection operators today. The results of the analytical model and the simulation models are coherent, and consistent with experiences of the waste collection operators.« less

Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes

DOE PAGES

Wang, Bo; Li, Shaohong L.; Truhlar, Donald G.

2014-10-30

Partial atomic charges are widely used for the description of charge distributions of molecules and solids. These charges are useful to indicate the extent of charge transfer and charge flow during chemical reactions in batteries, fuel cells, and catalysts and to characterize charge distributions in capacitors, liquid-phase electrolytes, and solids and at electrochemical interfaces. However, partial atomic charges given by various charge models differ significantly, especially for systems containing metal atoms. In the present study, we have compared various charge models on both molecular systems and extended systems, including Hirshfeld, CM5, MK, ChElPG, Mulliken, MBS, NPA, DDEC, LoProp, and Badermore » charges. Their merits and drawbacks are compared. The CM5 charge model is found to perform well on the molecular systems, with a mean unsigned percentage deviation of only 9% for the dipole moments. We therefore formulated it for extended systems and applied it to study charge flow during the delithiation process in lithium-containing oxides used as cathodes. Our calculations show that the charges given by the CM5 charge model are reasonable and that during the delithiation process, the charge flow can occur not only on the transition metal but also on the anions. The oxygen atoms can lose a significant density of electrons, especially for deeply delithiated materials. We also discuss other methods in current use to analyze the charge transfer and charge flow in batteries, in particular the use of formal charge, spin density, and orbital occupancy. Here, we conclude that CM5 charges provide useful information in describing charge distributions in various materials and are very promising for the study of charge transfer and charge flows in both molecules and solids.« less

Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes.

PubMed

Wang, Bo; Li, Shaohong L; Truhlar, Donald G

2014-12-09

Partial atomic charges are widely used for the description of charge distributions of molecules and solids. These charges are useful to indicate the extent of charge transfer and charge flow during chemical reactions in batteries, fuel cells, and catalysts and to characterize charge distributions in capacitors, liquid-phase electrolytes, and solids and at electrochemical interfaces. However, partial atomic charges given by various charge models differ significantly, especially for systems containing metal atoms. In the present study, we have compared various charge models on both molecular systems and extended systems, including Hirshfeld, CM5, MK, ChElPG, Mulliken, MBS, NPA, DDEC, LoProp, and Bader charges. Their merits and drawbacks are compared. The CM5 charge model is found to perform well on the molecular systems, with a mean unsigned percentage deviation of only 9% for the dipole moments. We therefore formulated it for extended systems and applied it to study charge flow during the delithiation process in lithium-containing oxides used as cathodes. Our calculations show that the charges given by the CM5 charge model are reasonable and that during the delithiation process, the charge flow can occur not only on the transition metal but also on the anions. The oxygen atoms can lose a significant density of electrons, especially for deeply delithiated materials. We also discuss other methods in current use to analyze the charge transfer and charge flow in batteries, in particular the use of formal charge, spin density, and orbital occupancy. We conclude that CM5 charges provide useful information in describing charge distributions in various materials and are very promising for the study of charge transfer and charge flows in both molecules and solids.

Calculation of open and closed system elastic coefficients for multicomponent solids

NASA Astrophysics Data System (ADS)

Mishin, Y.

2015-06-01

Thermodynamic equilibrium in multicomponent solids subject to mechanical stresses is a complex nonlinear problem whose exact solution requires extensive computations. A few decades ago, Larché and Cahn proposed a linearized solution of the mechanochemical equilibrium problem by introducing the concept of open system elastic coefficients [Acta Metall. 21, 1051 (1973), 10.1016/0001-6160(73)90021-7]. Using the Ni-Al solid solution as a model system, we demonstrate that open system elastic coefficients can be readily computed by semigrand canonical Monte Carlo simulations in conjunction with the shape fluctuation approach. Such coefficients can be derived from a single simulation run, together with other thermodynamic properties needed for prediction of compositional fields in solid solutions containing defects. The proposed calculation approach enables streamlined solutions of mechanochemical equilibrium problems in complex alloys. Second order corrections to the linear theory are extended to multicomponent systems.

Numerical investigation of influence on heat transfer characteristics to pneumatically conveyed dense phase flow by selecting models and boundary conditions

NASA Astrophysics Data System (ADS)

Zheng, Y.; Liu, Q.; Li, Y.

2012-03-01

Solids moving with a gas stream in a pipeline can be found in many industrial processes, such as power generation, chemical, pharmaceutical, food and commodity transfer processes. A mass flow rate of the solids is important characteristic that is often required to be measured (and controlled) to achieve efficient utilization of energy and raw materials in pneumatic conveying systems. The methods of measuring the mass flow rate of solids in a pneumatic pipeline can be divided into direct and indirect (inferential) measurements. A thermal solids' mass flow-meter, in principle, should ideally provide a direct measurement of solids flow rate, regardless of inhomogeneities in solids' distribution and environmental impacts. One key issue in developing a thermal solids' mass flow-meter is to characterize the heat transfer between the hot pipe wall and the gas-solids dense phase flow. The Eulerian continuum modeling with gas-solid two phases is the most common method for pneumatic transport. To model a gas-solid dense phase flow passing through a heated region, the gas phase is described as a continuous phase and the particles as the second phase. This study aims to describe the heat transfer characteristics between the hot wall and the gas-solids dense phase flow in pneumatic pipelines by modeling a turbulence gas-solid plug passing through the heated region which involves several actual and crucial issues: selections of interphase exchange coefficient, near-wall region functions and different wall surface temperatures. A sensitivity analysis was discussed to identify the influence on the heat transfer characteristics by selecting different interphase exchange coefficient models and different boundary conditions. Simulation results suggest that sensitivity analysis in the choice of models is very significant. The simulation results appear to show that a combination of choosing the Syamlal-O'Brien interphase exchange coefficient model and the standard k-ɛ model along with the standard wall function model might be the best approach, by which, the simulation data seems to be closest to the experimental results.

Detailed Multi-dimensional Modeling of Direct Internal Reforming Solid Oxide Fuel Cells.

PubMed

Tseronis, K; Fragkopoulos, I S; Bonis, I; Theodoropoulos, C

2016-06-01

Fuel flexibility is a significant advantage of solid oxide fuel cells (SOFCs) and can be attributed to their high operating temperature. Here we consider a direct internal reforming solid oxide fuel cell setup in which a separate fuel reformer is not required. We construct a multidimensional, detailed model of a planar solid oxide fuel cell, where mass transport in the fuel channel is modeled using the Stefan-Maxwell model, whereas the mass transport within the porous electrodes is simulated using the Dusty-Gas model. The resulting highly nonlinear model is built into COMSOL Multiphysics, a commercial computational fluid dynamics software, and is validated against experimental data from the literature. A number of parametric studies is performed to obtain insights on the direct internal reforming solid oxide fuel cell system behavior and efficiency, to aid the design procedure. It is shown that internal reforming results in temperature drop close to the inlet and that the direct internal reforming solid oxide fuel cell performance can be enhanced by increasing the operating temperature. It is also observed that decreases in the inlet temperature result in smoother temperature profiles and in the formation of reduced thermal gradients. Furthermore, the direct internal reforming solid oxide fuel cell performance was found to be affected by the thickness of the electrochemically-active anode catalyst layer, although not always substantially, due to the counter-balancing behavior of the activation and ohmic overpotentials.

Dynamic model of a micro-tubular solid oxide fuel cell stack including an integrated cooling system

NASA Astrophysics Data System (ADS)

Hering, Martin; Brouwer, Jacob; Winkler, Wolfgang

2017-02-01

A novel dynamic micro-tubular solid oxide fuel cell (MT-SOFC) and stack model including an integrated cooling system is developed using a quasi three-dimensional, spatially resolved, transient thermodynamic, physical and electrochemical model that accounts for the complex geometrical relations between the cells and cooling-tubes. The modeling approach includes a simplified tubular geometry and stack design including an integrated cooling structure, detailed pressure drop and gas property calculations, the electrical and physical constraints of the stack design that determine the current, as well as control strategies for the temperature. Moreover, an advanced heat transfer balance with detailed radiative heat transfer between the cells and the integrated cooling-tubes, convective heat transfer between the gas flows and the surrounding structures and conductive heat transfer between the solid structures inside of the stack, is included. The detailed model can be used as a design basis for the novel MT-SOFC stack assembly including an integrated cooling system, as well as for the development of a dynamic system control strategy. The evaluated best-case design achieves very high electrical efficiency between around 75 and 55% in the entire power density range between 50 and 550 mW /cm2 due to the novel stack design comprising an integrated cooling structure.

Effects of drug-carrier interactions on drug dissolution from binary and ternary matrices

NASA Astrophysics Data System (ADS)

Iqbal, Zafar

For nearly five decades, pharmaceutical researchers have studied solid solutions of drugs in polymers as a potential means to enhance the dissolution of drugs with poor aqueous solubility. This has become of greater importance in recent years because most new potential drug compounds (new chemical entities) exhibit poor water solubility and present great challenges to scientists who must design dosage forms from which the drugs are bioavailable. During the formulation of a solid solution, the drug undergoes physical but not chemical alterations that increase its chemical potential in the formulation relative to that of the pure drug in its stable form. This increased chemical potential is responsible for enhanced dissolution as well as physical instabilities, such as amorphous to crystalline conversions and precipitation within the solid state. The chemical potential is derived from the Gibbs free energy, so it is reasonable to explain the behavior of solid solution systems in terms of thermodynamics. Solid solutions and dispersions have been extensively studied by pharmaceutical scientists, both with regard to manufacturing aspects and the proposal of various models in attempts to explain the physical bases for how these systems work. Recently, Dave and Bellantone proposed a model based on the thermodynamic changes resulting from the formulation of binary solid solutions of a drug in the polymer PVP. Their model introduced a modification of the F-H theory, which was used to quantify the drug-polymer interaction energies and calculate the entropy of mixing of the drug and polymer. In this work, the model of Dave and Bellantone was extended to include three-component systems, consisting of one drug mixed in a carrier matrix consisting of mixture of two polymers or a polymer and a surfactant. For this research, solid solutions were formed using various drug weight fractions in the formulations. The study focused on the following points: (1) Prepare solid solution formulations and perform appropriate physical characterizations. (2) Characterize the increase in drug dissolution rates resulting from solid solution formulations. (3) Relate the initial dissolution rates to the drug solubility. (4) Explain the solubility enhancement from solid solution dosage in terms of the drug polymer interactions using the extended thermodynamic model. Two poorly water soluble drugs, levonorgestrel (LEVO) and ethinyl estradiol (EE) were formulated in seven solid solution preparations comprised of four carrier systems. Materials used as carriers included various combinations of the polymers PVP K-30, Copovidone (COP), Poloxamer 182, and the surfactant TweenRTM 20. Additionally, ibuprofen (IBU) was used in three formulations consisting of various combinations of PVP K-30, Copovidone and TweenRTM 20. Formulations with various drug weight fractions (0.5%--30%) were prepared using the solvent evaporation technique. Each formulation was tested for dissolution using intrinsic dissolution apparatus (USP). The solid solutions were compressed into tablets into the sample die that maintained a constant surface area during the dissolution process. DSC, XRD and NIRS scans identified that the crystalline peaks of the drug disappeared with the addition of the polymer for all ratios of EE, indicating the formation of solid solutions (to within the limits of detection of the equipment). This was also observed for the LEVO dispersions up to 10% drug loading. At higher drug loading, solutions were formed but some small degree crystallinity was also present. For each experiment, the initial dissolution rates were obtained from the slope of the mass dissolved vs. time plots taken at early times, and volume normalized initial dissolution rates RV were calculated by dividing the initial dissolution rate by the volume fraction of the drug in the formulation. Comparison of the RV values for the various formulations with a reference RV (typically that of the pure drug or of the formulation with the highest polymer content) allowed calculation of relative volume normalized dissolution rates (RNV). The various RNV were used in the thermodynamic model for data analyses and to determine the interactions between the drug and carrier molecules. It was generally seen that RNV increased with decreased drug fraction, and was adequately modeled by the equations derived from the extended thermodynamic model. It was concluded that the model proposed for the binary and ternary systems successfully represented the mechanism of drug-polymer interaction and the energy changes taken place within the dispersion systems. The dissolution data analysis and subsequent understanding of physical modifications in the dispersion systems characterized by XRD, NIRS and DSC further substantiated the findings. The understanding of the fundamental physical might help scientists to predict the effects of mixing various drugs and polymers, and the effects of varying ratios.

Nonlinear quantum Langevin equations for bosonic modes in solid-state systems

NASA Astrophysics Data System (ADS)

Manninen, Juuso; Agasti, Souvik; Massel, Francesco

2017-12-01

Based on the experimental evidence that impurities contribute to the dissipation properties of solid-state open quantum systems, we provide here a description in terms of nonlinear quantum Langevin equations of the role played by two-level systems in the dynamics of a bosonic degree of freedom. Our starting point is represented by the description of the system-environment coupling in terms of coupling to two separate reservoirs, modeling the interaction with external bosonic modes and two-level systems, respectively. Furthermore, we show how this model represents a specific example of a class of open quantum systems that can be described by nonlinear quantum Langevin equations. Our analysis offers a potential explanation of the parametric effects recently observed in circuit-QED cavity optomechanics experiments.

High-temperature experimental and thermodynamic modelling research on the pyrometallurgical processing of copper

NASA Astrophysics Data System (ADS)

Hidayat, Taufiq; Shishin, Denis; Decterov, Sergei A.; Hayes, Peter C.; Jak, Evgueni

2017-01-01

Uncertainty in the metal price and competition between producers mean that the daily operation of a smelter needs to target high recovery of valuable elements at low operating cost. Options for the improvement of the plant operation can be examined and decision making can be informed based on accurate information from laboratory experimentation coupled with predictions using advanced thermodynamic models. Integrated high-temperature experimental and thermodynamic modelling research on phase equilibria and thermodynamics of copper-containing systems have been undertaken at the Pyrometallurgy Innovation Centre (PYROSEARCH). The experimental phase equilibria studies involve high-temperature equilibration, rapid quenching and direct measurement of phase compositions using electron probe X-ray microanalysis (EPMA). The thermodynamic modelling deals with the development of accurate thermodynamic database built through critical evaluation of experimental data, selection of solution models, and optimization of models parameters. The database covers the Al-Ca-Cu-Fe-Mg-O-S-Si chemical system. The gas, slag, matte, liquid and solid metal phases, spinel solid solution as well as numerous solid oxide and sulphide phases are included. The database works within the FactSage software environment. Examples of phase equilibria data and thermodynamic models of selected systems, as well as possible implementation of the research outcomes to selected copper making processes are presented.

CRYOCHEM, Thermodynamic Model for Cryogenic Chemical Systems: Solid-Vapor and Solid-Liquid-Vapor Phase Equilibria Toward Applications on Titan and Pluto

NASA Astrophysics Data System (ADS)

Tan, S. P.; Kargel, J. S.; Adidharma, H.; Marion, G. M.

2014-12-01

Until in-situ measurements can be made regularly on extraterrestrial bodies, thermodynamic models are the only tools to investigate the properties and behavior of chemical systems on those bodies. The resulting findings are often critical in describing physicochemical processes in the atmosphere, surface, and subsurface in planetary geochemistry and climate studies. The extremely cold conditions on Triton, Pluto and other Kuiper Belt Objects, and Titan introduce huge non-ideality that prevents conventional models from performing adequately. At such conditions, atmospheres as a whole—not components individually—are subject to phase equilibria with their equilibrium solid phases or liquid phases or both. A molecular-based thermodynamic model for cryogenic chemical systems, referred to as CRYOCHEM, the development of which is still in progress, was shown to reproduce the vertical composition profile of Titan's atmospheric methane measured by the Huygens probe (Tan et al., Icarus 2013, 222, 53). Recently, the model was also used to describe Titan's global circulation where the calculated composition of liquid in Ligeia Mare is consistent with the bathymetry and microwave absorption analysis of T91 Cassini fly-by data (Tan et al., 2014, submitted). Its capability to deal with equilibria involving solid phases has also been demonstrated (Tan et al., Fluid Phase Equilib. 2013, 360, 320). With all those previous works done, our attention is now shifting to the lower temperatures in Titan's tropopause and on Pluto's surface, where much technical development remains for CRYOCHEM to assure adequate performance at low temperatures. In these conditions, solid-vapor equilibrium (SVE) is the dominant phase behavior that determines the composition of the atmosphere and the existing ices. Another potential application is for the subsurface phase equilibrium, which also involves liquid, thus three-phase equilibrium: solid-liquid-vapor (SLV). This presentation will discuss the current state of CRYOCHEM in representing the SVE and SLV of chemical systems at temperatures and pressures relevant to Titan's tropopause and Pluto and the upper crusts of these objects.

Transient Numerical Modeling of Catalytic Channels

NASA Technical Reports Server (NTRS)

Struk, Peter M.; Dietrich, Daniel L.; Miller, Fletcher J.; T'ien, James S.

2007-01-01

This paper presents a transient model of catalytic combustion suitable for isolated channels and monolith reactors. The model is a lumped two-phase (gas and solid) model where the gas phase is quasi-steady relative to the transient solid. Axial diffusion is neglected in the gas phase; lateral diffusion, however, is accounted for using transfer coefficients. The solid phase includes axial heat conduction and external heat loss due to convection and radiation. The combustion process utilizes detailed gas and surface reaction models. The gas-phase model becomes a system of stiff ordinary differential equations while the solid phase reduces, after discretization, into a system of stiff ordinary differential-algebraic equations. The time evolution of the system came from alternating integrations of the quasi-steady gas and transient solid. This work outlines the numerical model and presents some sensitivity studies on important parameters including internal transfer coefficients, catalytic surface site density, and external heat-loss (if applicable). The model is compared to two experiments using CO fuel: (1) steady-state conversion through an isothermal platinum (Pt) tube and (2) transient propagation of a catalytic reaction inside a small Pt tube. The model requires internal mass-transfer resistance to match the experiments at lower residence times. Under mass-transport limited conditions, the model reasonably predicted exit conversion using global mass-transfer coefficients. Near light-off, the model results did not match the experiment precisely even after adjustment of mass-transfer coefficients. Agreement improved for the first case after adjusting the surface kinetics such that the net rate of CO adsorption increased compared to O2. The CO / O2 surface mechanism came from a sub-set of reactions in a popular CH4 / O2 mechanism. For the second case, predictions improved for lean conditions with increased external heat loss or adjustment of the kinetics as in the first case. Finally, the results show that different initial surface-species distribution leads to different steady-states under certain conditions. These results demonstrate the utility of a lumped two-phase model of a transient catalytic combustor with detailed chemistry.

Revision of Fontes & Garnier's model for the initial 14C content of dissolved inorganic carbon used in groundwater dating

USGS Publications Warehouse

Han, Liang-Feng; Plummer, Niel

2013-01-01

The widely applied model for groundwater dating using 14C proposed by Fontes and Garnier (F&G) (Fontes and Garnier, 1979) estimates the initial 14C content in waters from carbonate-rock aquifers affected by isotopic exchange. Usually, the model of F&G is applied in one of two ways: (1) using a single 13C fractionation factor of gaseous CO2 with respect to a solid carbonate mineral, εg/s, regardless of whether the carbon isotopic exchange is controlled by soil CO2 in the unsaturated zone, or by solid carbonate mineral in the saturated zone; or (2) using different fractionation factors if the exchange process is dominated by soil CO2 gas as opposed to solid carbonate mineral (typically calcite). An analysis of the F&G model shows an inadequate conceptualization, resulting in underestimation of the initial 14C values (14C0) for groundwater systems that have undergone isotopic exchange. The degree to which the 14C0 is underestimated increases with the extent of isotopic exchange. Examples show that in extreme cases, the error in calculated adjusted initial 14C values can be more than 20% modern carbon (pmc). A model is derived that revises the mass balance method of F&G by using a modified model conceptualization. The derivation yields a “global” model both for carbon isotopic exchange dominated by gaseous CO2 in the unsaturated zone, and for carbon isotopic exchange dominated by solid carbonate mineral in the saturated zone. However, the revised model requires different parameters for exchange dominated by gaseous CO2 as opposed to exchange dominated by solid carbonate minerals. The revised model for exchange dominated by gaseous CO2 is shown to be identical to the model of Mook (Mook, 1976). For groundwater systems where exchange occurs both in the unsaturated zone and saturated zone, the revised model can still be used; however, 14C0 will be slightly underestimated. Finally, in carbonate systems undergoing complex geochemical reactions, such as oxidation of organic carbon, radiocarbon ages are best estimated by inverse geochemical modeling techniques.

Dynamic modeling and control of a solid-sorbent CO{sub 2} capture process with two-stage bubbling fluidized bed adsorber reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Modekurti, S.; Bhattacharyya, D.; Zitney, S.

2012-01-01

Solid-sorbent-based CO{sub 2} capture processes have strong potential for reducing the overall energy penalty for post-combustion capture from the flue gas of a conventional pulverized coal power plant. However, the commercial success of this technology is contingent upon it operating over a wide range of capture rates, transient events, malfunctions, and disturbances, as well as under uncertainties. To study these operational aspects, a dynamic model of a solid-sorbent-based CO{sub 2} capture process has been developed. In this work, a one-dimensional (1D), non-isothermal, dynamic model of a two-stage bubbling fluidized bed (BFB) adsorber-reactor system with overflow-type weir configuration has been developedmore » in Aspen Custom Modeler (ACM). The physical and chemical properties of the sorbent used in this study are based on a sorbent (32D) developed at National Energy Technology Laboratory (NETL). Each BFB is divided into bubble, emulsion, and cloud-wake regions with the assumptions that the bubble region is free of solids while both gas and solid phases coexist in the emulsion and cloud-wake regions. The BFB dynamic model includes 1D partial differential equations (PDEs) for mass and energy balances, along with comprehensive reaction kinetics. In addition to the two BFB models, the adsorber-reactor system includes 1D PDE-based dynamic models of the downcomer and outlet hopper, as well as models of distributors, control valves, and other pressure-drop devices. Consistent boundary and initial conditions are considered for simulating the dynamic model. Equipment items are sized and appropriate heat transfer options, wherever needed, are provided. Finally, a valid pressure-flow network is developed and a lower-level control system is designed. Using ACM, the transient responses of various process variables such as flue gas and sorbent temperatures, overall CO{sub 2} capture, level of solids in the downcomer and hopper have been studied by simulating typical disturbances such as change in the temperature, flowrate, and composition of the flue gas. To maintain the overall CO{sub 2} capture at a desired level in face of the typical disturbances, two control strategies were considered–a proportional-integral-derivative (PID)-based feedback control strategy and a feedforward-augmented feedback control strategy. Dynamic simulation results show that both the strategies result in unacceptable overshoot/undershoot and a long settling time. To improve the control system performance, a linear model predictive controller (LMPC) is designed. In summary, the overall results illustrate how optimizing the operation and control of carbon capture systems can have a significant impact on the extent and the rate at which commercial-scale capture processes will be scaled-up, deployed, and used in the years to come.« less

A Linearized Model for Wave Propagation through Coupled Volcanic Conduit-crack Systems Filled with Multiphase Magma

NASA Astrophysics Data System (ADS)

Liang, C.; Dunham, E. M.; OReilly, O. J.; Karlstrom, L.

2015-12-01

Both the oscillation of magma in volcanic conduits and resonance of fluid-filled cracks (dikes and sills) are appealing explanations for very long period signals recorded at many active volcanoes. While these processes have been studied in isolation, real volcanic systems involve interconnected networks of conduits and cracks. The overall objective of our work is to develop a model of wave propagation and ultimately eruptive fluid dynamics through this coupled system. Here, we present a linearized model for wave propagation through a conduit with multiple cracks branching off of it. The fluid is compressible and viscous, and is comprised of a mixture of liquid melt and gas bubbles. Nonequilibrium bubble growth and resorption (BGR) is quantified by introducing a time scale for mass exchange between phases, following the treatment in Karlstrom and Dunham (2015). We start by deriving the dispersion relation for crack waves travelling along the multiphase-magma-filled crack embedded in an elastic solid. Dissipation arises from magma viscosity, nonequilibrium BGR, and radiation of seismic waves into the solid. We next introduce coupling conditions between the conduit and crack, expressing conservation of mass and the balance of forces across the junction. Waves in the conduit, like those in the crack, are influenced by nonequilibrium BGR, but the deformability of the surrounding solid is far less important than for cracks. Solution of the coupled system of equations provides the evolution of pressure and fluid velocity within the conduit-crack system. The system has various resonant modes that are sensitive to fluid properties and to the geometry of the conduit and cracks. Numerical modeling of seismic waves in the solid allows us to generate synthetic seismograms.

A multi-level simulation platform of natural gas internal reforming solid oxide fuel cell-gas turbine hybrid generation system - Part II. Balancing units model library and system simulation

NASA Astrophysics Data System (ADS)

Bao, Cheng; Cai, Ningsheng; Croiset, Eric

2011-10-01

Following our integrated hierarchical modeling framework of natural gas internal reforming solid oxide fuel cell (IRSOFC), this paper firstly introduces the model libraries of main balancing units, including some state-of-the-art achievements and our specific work. Based on gPROMS programming code, flexible configuration and modular design are fully realized by specifying graphically all unit models in each level. Via comparison with the steady-state experimental data of Siemens-Westinghouse demonstration system, the in-house multi-level SOFC-gas turbine (GT) simulation platform is validated to be more accurate than the advanced power system analysis tool (APSAT). Moreover, some units of the demonstration system are designed reversely for analysis of a typically part-load transient process. The framework of distributed and dynamic modeling in most of units is significant for the development of control strategies in the future.

Atomistic modeling of crystal-to-amorphous transition and associated kinetics in the Ni-Nb system by molecular dynamics simulations.

PubMed

Dai, X D; Li, J H; Liu, B X

2005-03-17

With the aid of ab initio calculations, an n-body potential of the Ni-Nb system is constructed under the Finnis-Sinclair formalism and the constructed potential is capable of not only reproducing some static physical properties but also revealing the atomistic mechanism of crystal-to-amorphous transition and associated kinetics. With application of the constructed potential, molecular dynamics simulations using the solid solution models reveal that the physical origin of crystal-to-amorphous transition is the crystalline lattice collapsing while the solute atoms are exceeding the critical solid solubilities, which are determined to be 19 atom % Ni and 13 atom % Nb for the Nb- and Ni-based solid solutions, respectively. It follows that an intrinsic glass-forming ability of the Ni-Nb system is within 19-87 atom % Ni, which matches well with that observed in ion beam mixing/solid-state reaction experiments. Simulations using the Nb/Ni/Nb (Ni/Nb/Ni) sandwich models indicate that the amorphous layer at the interfaces grows in a layer-by-layer mode and that, upon dissolving solute atoms, the Ni lattice approaches and exceeds its critical solid solubility faster than the Nb lattice, revealing an asymmetric behavior in growth kinetics. Moreover, an energy diagram is obtained by computing the energetic sequence of the Ni(x)Nb(100)(-)(x) alloy in fcc, bcc, and amorphous structures, respectively, over the entire composition range, and the diagram could serve as a guide for predicting the metastable alloy formation in the Ni-Nb system.

Sewer solids separation by sedimentation--the problem of modeling, validation and transferability.

PubMed

Kutzner, R; Brombach, H; Geiger, W F

2007-01-01

Sedimentation of sewer solids in tanks, ponds and similar devices is the most relevant process for the treatment of stormwater and combined sewer overflows in urban collecting systems. In the past a lot of research work was done to develop deterministic models for the description of this separation process. But these modern models are not commonly accepted in Germany until today. Water Authorities are sceptical with regard to model validation and transferability. Within this paper it is checked whether this scepticism is reasonable. A framework-proposal for the validation of mathematical models with zero or one dimensional spatial resolution for particle separation processes for stormwater and combined sewer overflow treatment is presented. This proposal was applied to publications of repute on sewer solids separation by sedimentation. The result was that none of the investigated models described in literature passed the validation entirely. There is an urgent need for future research in sewer solids sedimentation and remobilization!

Two-phase non-Newtonian hydrodynamic modeling of slurries

NASA Astrophysics Data System (ADS)

Wang, C. S.; Lyczkowski, R. W.; Berry, G. F.

The two-phase hydrodynamic theory of fluid/solid flow has been extended to incorporate the constitutive relationship for power-law non-Newtonian behavior. A model has been developed to predict the spatial and temporal variations in solids and liquid velocities and concentration of non-Newtonian slurries under high shear rates in diesel engine injection systems. Comparisons between the present non-Newtonian two-phase theory and the conventional theory have also been made. Selected results for diesel injection nozzle applications are presented. The results from this model can be used to calculate directly the erosion rates at the nozzle boundaries and the solids loading at the nozzle exit.

Application of rainbow refractometry for measurement of droplets with solid inclusions

NASA Astrophysics Data System (ADS)

Li, Can; Wu, Xue-cheng; Cao, Jian-zheng; Chen, Ling-hong; Gréhan, Gerard; Cen, Ke-fa

2018-01-01

Characterization of droplets with solid inclusions is of great research interest and has wide industrial applications. Reported here is a theoretical and experimental investigation of the measurement of droplets with solid inclusions using rainbow refractometry. A rainbow extinction model of a droplet with solid inclusions was deduced based on Beer-Lambert's Law. It takes into account the volume concentration, relative size, scattering efficiency of the solid inclusion, and liquid refractive index. An acoustic levitation system for a single droplet and a global rainbow instrumentation system for spray were integrated to study the effect of the H2O-CaCO3 suspension droplets on the rainbow signal and the measured parameters. The results showed that the rainbow encountered unusual disturbances, introduced by the solid inclusions, but its overall structure was not destroyed. Discoveries also included that for volume concentrations of 2.5% or less the CaCO3 particles with diameters below 4 μm had little effect on the measured parameters of the host droplet. The extinction characteristic was also analyzed. The rainbow extinction model failed to quantity the volume concentration of CaCO3, but succeeded in its qualitative analysis.

Techno-Economic Assessment of Recycling BOF Offgas Cleaning System Solid Wastes by Using Zinc-Free Scrap

NASA Astrophysics Data System (ADS)

Ma, Naiyang

High zinc concentration in basic oxygen furnace (BOF) steelmaking offgas (OG) cleaning system solid wastes is one of the main barriers for recycling of the solid wastes in sintering — blast furnace ironmaking process. One of the possible solutions is to utilize zinc-free scrap in BOF steelmaking so that the BOF OG solid wastes will not be contaminated with zinc and can be recycled through sintering — blast furnace ironmaking. This paper describes a model for helping to decide whether to use zinc-free scrap in a BOF process. A model computing marginal price increment of zinc-free scrap is developed. The marginal price increment is proportional to value change of the BOF OG solid wastes after and before using zinc-free scrap, to ratio of BOF solid waste rate to purchased galvanized scrap rate, and to price of galvanized scrap. Due to the variations of consumption rate of purchased galvanized scrap and home galvanized scrap, iron ore price, landfill cost, and price of purchased galvanized scrap, using zinc-free scrap in a BOF process might be economically feasible for some ironmaking and steelmaking plants or in some particular market circumstances.

Evolution of Geometric Sensitivity Derivatives from Computer Aided Design Models

NASA Technical Reports Server (NTRS)

Jones, William T.; Lazzara, David; Haimes, Robert

2010-01-01

The generation of design parameter sensitivity derivatives is required for gradient-based optimization. Such sensitivity derivatives are elusive at best when working with geometry defined within the solid modeling context of Computer-Aided Design (CAD) systems. Solid modeling CAD systems are often proprietary and always complex, thereby necessitating ad hoc procedures to infer parameter sensitivity. A new perspective is presented that makes direct use of the hierarchical associativity of CAD features to trace their evolution and thereby track design parameter sensitivity. In contrast to ad hoc methods, this method provides a more concise procedure following the model design intent and determining the sensitivity of CAD geometry directly to its respective defining parameters.

Exact Solution of the Two-Level System and the Einstein Solid in the Microcanonical Formalism

ERIC Educational Resources Information Center

Bertoldi, Dalia S.; Bringa, Eduardo M.; Miranda, E. N.

2011-01-01

The two-level system and the Einstein model of a crystalline solid are taught in every course of statistical mechanics and they are solved in the microcanonical formalism because the number of accessible microstates can be easily evaluated. However, their solutions are usually presented using the Stirling approximation to deal with factorials. In…

Fuel cell system modeling for solid oxide fuel cell/gas turbine hybrid power plants, Part I: Modeling and simulation framework

NASA Astrophysics Data System (ADS)

Leucht, Florian; Bessler, Wolfgang G.; Kallo, Josef; Friedrich, K. Andreas; Müller-Steinhagen, H.

A sustainable future power supply requires high fuel-to-electricity conversion efficiencies even in small-scale power plants. A promising technology to reach this goal is a hybrid power plant in which a gas turbine (GT) is coupled with a solid oxide fuel cell (SOFC). This paper presents a dynamic model of a pressurized SOFC system consisting of the fuel cell stack with combustion zone and balance-of-plant components such as desulphurization, humidification, reformer, ejector and heat exchangers. The model includes thermal coupling between the different components. A number of control loops for fuel and air flows as well as power management are integrated in order to keep the system within the desired operation window. Models and controls are implemented in a MATLAB/SIMULINK environment. Different hybrid cycles proposed earlier are discussed and a preferred cycle is developed. Simulation results show the prospects of the developed modeling and control system.

Evaluation of ground-water flow and solute transport in the Lompoc area, Santa Barbara County, California

USGS Publications Warehouse

Bright, Daniel J.; Nash, David B.; Martin, Peter

1997-01-01

Ground-water quality in the Lompoc area, especially in the Lompoc plain, is only marginally acceptable for most uses. Demand for ground water has increased for municipal use since the late 1950's and has continued to be high for irrigation on the Lompoc plain, the principal agricultural area in the Santa Ynez River basin. As use has increased, the quality of ground water has deteriorated in some areas of the Lompoc plain. The dissolved-solids concentration in the main zone of the upper aquifer beneath most of the central and western plains has increased from less than 1,000 milligrams per liter in the 1940's to greater than 2,000 milligrams per liter in the 1960's. Dissolved- solids concentration have remained relatively constant since the 1960's. A three-dimensional finite-difference model was used to simulate ground-water flow in the Lompoc area and a two-dimensional finite-element model was used to simulate solute transport to gain a better understanding of the ground-water system and to evaluate the effects of proposed management plans for the ground-water basin. The aquifer system was simulated in the flow model as four horizontal layers. In the area of the Lompoc plain, the layers represent the shallow, middle, and main zones of the upper aquifer, and the lower aquifer. For the Lompoc upland and Lompoc terrace, the four layers represent the lower aquifer. The solute transport model was used to simulate dissolved-solids transport in the main zone of the upper aquifer beneath the Lompoc plain. The flow and solute-transport models were calibrated to transient conditions for 1941-88. A steady-state simulation was made to provide initial conditions for the transient-state simulation by using long-term average (1941-88) recharge rates. Model- simulated hydraulic heads generally were within 5 feet of measured heads in the main zone for transient conditions. Model-simulated dissolved- solids concentrations for the main zone generally differed less than 200milligrams per liter from concentrations in 1988. During 1941-88 about 1,096,000 acre-feet of water was pumped from the aquifer system. Average pumpage for this period (22,830 acre-feet per year) exceeded pumpage for the steady-state simulation by 16,590 acre-feet per year. The results of the transient simulation indicate that about 60 percent of this increase in pumpage was contributed by increased recharge, 28 percent by decreased natural discharge from the system (primarily discharge to the Santa Ynez River and transpiration), and 13 percent was withdrawn from storage. Total simulated downward leakage from the middle zone to the main zone in the central plain and upward leakage from the consolidated rocks to the main zone significantly increased in response to increased pumpage, which increased from about 6,240 to 30,870 acre-feet per year from 1941 to 1988. Average dissolved-solid concentration in the middle zone in 1987-88 ranged from 2,000 to 3,000 milligrams per liter beneath the northeastern plain and the dissolved-solids concentration of two samples from the consolidated rocks beneath the western plain averaged 4,300 milligrams per liter. Because the dissolved-solids concentration for the middle zone and the consolidated rocks is higher than the simulated steady-state dissolved-solids concentration of the main zone, the increase in the leakage from these two sources resulted in increased dissolved-solids concentration in the main zone during the transient period. The model results indicate that the main source of increased dissolved- solids concentration in the northeastern and central plains was downward leakage from the middle zone; whereas, upward leakage from the consolidated rocks was the main source of the increased dissolved-solids concentrations in the northwestern and western plains. The models were used to estimate changes in hydraulic head and in dissolved-solids concentration resulting from three proposed management alternatives: (1) average recharge

U.S. Army Workshop on Solid-Propellant Ignition and Combustion Modeling.

DTIC Science & Technology

1997-07-01

saving tool in the design, development, testing, and evaluation of future gun-propulsion systems , and that, under current funding constraints, research...53 7.1 What systems are currently being addressed...9 ............. . . .. .. . . . . . . . . . . . . . . . . . . . . . . . . 56 7.5 What model systems might be valuable for

Exergy analysis of a solid oxide fuel cell micropowerplant

NASA Astrophysics Data System (ADS)

Hotz, Nico; Senn, Stephan M.; Poulikakos, Dimos

In this paper, an analytical model of a micro solid oxide fuel cell (SOFC) system fed by butane is introduced and analyzed in order to optimize its exergetic efficiency. The micro SOFC system is equipped with a partial oxidation (POX) reformer, a vaporizer, two pre-heaters, and a post-combustor. A one-dimensional (1D) polarization model of the SOFC is used to examine the effects of concentration overpotentials, activation overpotentials, and ohmic resistances on cell performance. This 1D polarization model is extended in this study to a two-dimensional (2D) fuel cell model considering convective mass and heat transport along the fuel cell channel and from the fuel cell to the environment. The influence of significant operational parameters on the exergetic efficiency of the micro SOFC system is discussed. The present study shows the importance of an exergy analysis of the fuel cell as part of an entire thermodynamic system (transportable micropowerplant) generating electric power.

Nuclear Engine System Simulation (NESS). Volume 1: Program user's guide

NASA Astrophysics Data System (ADS)

Pelaccio, Dennis G.; Scheil, Christine M.; Petrosky, Lyman J.

1993-03-01

A Nuclear Thermal Propulsion (NTP) engine system design analysis tool is required to support current and future Space Exploration Initiative (SEI) propulsion and vehicle design studies. Currently available NTP engine design models are those developed during the NERVA program in the 1960's and early 1970's and are highly unique to that design or are modifications of current liquid propulsion system design models. To date, NTP engine-based liquid design models lack integrated design of key NTP engine design features in the areas of reactor, shielding, multi-propellant capability, and multi-redundant pump feed fuel systems. Additionally, since the SEI effort is in the initial development stage, a robust, verified NTP analysis design tool could be of great use to the community. This effort developed an NTP engine system design analysis program (tool), known as the Nuclear Engine System Simulation (NESS) program, to support ongoing and future engine system and stage design study efforts. In this effort, Science Applications International Corporation's (SAIC) NTP version of the Expanded Liquid Engine Simulation (ELES) program was modified extensively to include Westinghouse Electric Corporation's near-term solid-core reactor design model. The ELES program has extensive capability to conduct preliminary system design analysis of liquid rocket systems and vehicles. The program is modular in nature and is versatile in terms of modeling state-of-the-art component and system options as discussed. The Westinghouse reactor design model, which was integrated in the NESS program, is based on the near-term solid-core ENABLER NTP reactor design concept. This program is now capable of accurately modeling (characterizing) a complete near-term solid-core NTP engine system in great detail, for a number of design options, in an efficient manner. The following discussion summarizes the overall analysis methodology, key assumptions, and capabilities associated with the NESS presents an example problem, and compares the results to related NTP engine system designs. Initial installation instructions and program disks are in Volume 2 of the NESS Program User's Guide.

Nuclear Engine System Simulation (NESS). Volume 1: Program user's guide

NASA Technical Reports Server (NTRS)

Pelaccio, Dennis G.; Scheil, Christine M.; Petrosky, Lyman J.

1993-01-01

A Nuclear Thermal Propulsion (NTP) engine system design analysis tool is required to support current and future Space Exploration Initiative (SEI) propulsion and vehicle design studies. Currently available NTP engine design models are those developed during the NERVA program in the 1960's and early 1970's and are highly unique to that design or are modifications of current liquid propulsion system design models. To date, NTP engine-based liquid design models lack integrated design of key NTP engine design features in the areas of reactor, shielding, multi-propellant capability, and multi-redundant pump feed fuel systems. Additionally, since the SEI effort is in the initial development stage, a robust, verified NTP analysis design tool could be of great use to the community. This effort developed an NTP engine system design analysis program (tool), known as the Nuclear Engine System Simulation (NESS) program, to support ongoing and future engine system and stage design study efforts. In this effort, Science Applications International Corporation's (SAIC) NTP version of the Expanded Liquid Engine Simulation (ELES) program was modified extensively to include Westinghouse Electric Corporation's near-term solid-core reactor design model. The ELES program has extensive capability to conduct preliminary system design analysis of liquid rocket systems and vehicles. The program is modular in nature and is versatile in terms of modeling state-of-the-art component and system options as discussed. The Westinghouse reactor design model, which was integrated in the NESS program, is based on the near-term solid-core ENABLER NTP reactor design concept. This program is now capable of accurately modeling (characterizing) a complete near-term solid-core NTP engine system in great detail, for a number of design options, in an efficient manner. The following discussion summarizes the overall analysis methodology, key assumptions, and capabilities associated with the NESS presents an example problem, and compares the results to related NTP engine system designs. Initial installation instructions and program disks are in Volume 2 of the NESS Program User's Guide.

A mathematical model for municipal solid waste management - A case study in Hong Kong.

PubMed

Lee, C K M; Yeung, C L; Xiong, Z R; Chung, S H

2016-12-01

With the booming economy and increasing population, the accumulation of waste has become an increasingly arduous issue and has aroused the attention from all sectors of society. Hong Kong which has a relative high daily per capita domestic waste generation rate in Asia has not yet established a comprehensive waste management system. This paper conducts a review of waste management approaches and models. Researchers highlight that mathematical models provide useful information for decision-makers to select appropriate choices and save cost. It is suggested to consider municipal solid waste management in a holistic view and improve the utilization of waste management infrastructures. A mathematical model which adopts integer linear programming and mixed integer programming has been developed for Hong Kong municipal solid waste management. A sensitivity analysis was carried out to simulate different scenarios which provide decision-makers important information for establishing Hong Kong waste management system. Copyright © 2016 Elsevier Ltd. All rights reserved.

Computational modeling of chemical reactions and interstitial growth and remodeling involving charged solutes and solid-bound molecules

PubMed Central

Nims, Robert J.; Maas, Steve; Weiss, Jeffrey A.

2014-01-01

Mechanobiological processes are rooted in mechanics and chemistry, and such processes may be modeled in a framework that couples their governing equations starting from fundamental principles. In many biological applications, the reactants and products of chemical reactions may be electrically charged, and these charge effects may produce driving forces and constraints that significantly influence outcomes. In this study, a novel formulation and computational implementation are presented for modeling chemical reactions in biological tissues that involve charged solutes and solid-bound molecules within a deformable porous hydrated solid matrix, coupling mechanics with chemistry while accounting for electric charges. The deposition or removal of solid-bound molecules contributes to the growth and remodeling of the solid matrix; in particular, volumetric growth may be driven by Donnan osmotic swelling, resulting from charged molecular species fixed to the solid matrix. This formulation incorporates the state of strain as a state variable in the production rate of chemical reactions, explicitly tying chemistry with mechanics for the purpose of modeling mechanobiology. To achieve these objectives, this treatment identifies the specific theoretical and computational challenges faced in modeling complex systems of interacting neutral and charged constituents while accommodating any number of simultaneous reactions where reactants and products may be modeled explicitly or implicitly. Several finite element verification problems are shown to agree with closed-form analytical solutions. An illustrative tissue engineering analysis demonstrates tissue growth and swelling resulting from the deposition of chondroitin sulfate, a charged solid-bound molecular species. This implementation is released in the open-source program FEBio (www.febio.org). The availability of this framework may be particularly beneficial to optimizing tissue engineering culture systems by examining the influence of nutrient availability on the evolution of inhomogeneous tissue composition and mechanical properties, the evolution of construct dimensions with growth, the influence of solute and solid matrix electric charge on the transport of cytokines, the influence of binding kinetics on transport, the influence of loading on binding kinetics, and the differential growth response to dynamically loaded versus free-swelling culture conditions. PMID:24558059

Computational modeling of chemical reactions and interstitial growth and remodeling involving charged solutes and solid-bound molecules.

PubMed

Ateshian, Gerard A; Nims, Robert J; Maas, Steve; Weiss, Jeffrey A

2014-10-01

Mechanobiological processes are rooted in mechanics and chemistry, and such processes may be modeled in a framework that couples their governing equations starting from fundamental principles. In many biological applications, the reactants and products of chemical reactions may be electrically charged, and these charge effects may produce driving forces and constraints that significantly influence outcomes. In this study, a novel formulation and computational implementation are presented for modeling chemical reactions in biological tissues that involve charged solutes and solid-bound molecules within a deformable porous hydrated solid matrix, coupling mechanics with chemistry while accounting for electric charges. The deposition or removal of solid-bound molecules contributes to the growth and remodeling of the solid matrix; in particular, volumetric growth may be driven by Donnan osmotic swelling, resulting from charged molecular species fixed to the solid matrix. This formulation incorporates the state of strain as a state variable in the production rate of chemical reactions, explicitly tying chemistry with mechanics for the purpose of modeling mechanobiology. To achieve these objectives, this treatment identifies the specific theoretical and computational challenges faced in modeling complex systems of interacting neutral and charged constituents while accommodating any number of simultaneous reactions where reactants and products may be modeled explicitly or implicitly. Several finite element verification problems are shown to agree with closed-form analytical solutions. An illustrative tissue engineering analysis demonstrates tissue growth and swelling resulting from the deposition of chondroitin sulfate, a charged solid-bound molecular species. This implementation is released in the open-source program FEBio ( www.febio.org ). The availability of this framework may be particularly beneficial to optimizing tissue engineering culture systems by examining the influence of nutrient availability on the evolution of inhomogeneous tissue composition and mechanical properties, the evolution of construct dimensions with growth, the influence of solute and solid matrix electric charge on the transport of cytokines, the influence of binding kinetics on transport, the influence of loading on binding kinetics, and the differential growth response to dynamically loaded versus free-swelling culture conditions.

A Conserved Current Solid-on-Solid Model on a Sierpinski Tetrahedron Substrate

NASA Astrophysics Data System (ADS)

Kim, Jin Min; Kang, Daeseung

2018-03-01

A conserved current solid-on-solid model with conservative noise on a 3D Sierpinski tetrahedron substrate is studied. The interface width W grows as t β , with β = 0.0396 ± 0.0009, and becomes saturated as L α, with α = 0.195±0.005, where L is the system size. The dynamic exponent z ≈ 4.92 is estimated from the relation z = α/β. These values satisfy a scaling relation α+z = 2z rw , where z rw is the random walk exponent of the fractal substrate. Our results are consistent with the values estimated from a fractional Langevin equation with a conservative noise.

Validation of a 2.5D CFD model for cylindrical gas–solids fluidized beds

DOE PAGES

Li, Tingwen

2015-09-25

The 2.5D model recently proposed by Li et al. (Li, T., Benyahia, S., Dietiker, J., Musser, J., and Sun, X., 2015. A 2.5D computational method to simulate cylindrical fluidized beds. Chemical Engineering Science. 123, 236-246.) was validated for two cylindrical gas-solids bubbling fluidized bed systems. Different types of particles tested under various flow conditions were simulated using the traditional 2D model and the 2.5D model. Detailed comparison against the experimental measurements on solid concentration and velocity were conducted. Comparing to the traditional Cartesian 2D flow simulation, the 2.5D model yielded better agreement with the experimental data especially for the solidmore » velocity prediction in the column wall region.« less

Landsat test of diffuse reflectance models for aquatic suspended solids measurement

NASA Technical Reports Server (NTRS)

Munday, J. C., Jr.; Alfoldi, T. T.

1979-01-01

Landsat radiance data were used to test mathematical models relating diffuse reflectance to aquatic suspended solids concentration. Digital CCT data for Landsat passes over the Bay of Fundy, Nova Scotia were analyzed on a General Electric Co. Image 100 multispectral analysis system. Three data sets were studied separately and together in all combinations with and without solar angle correction. Statistical analysis and chromaticity analysis show that a nonlinear relationship between Landsat radiance and suspended solids concentration is better at curve-fitting than a linear relationship. In particular, the quasi-single-scattering diffuse reflectance model developed by Gordon and coworkers is corroborated. The Gordon model applied to 33 points of MSS 5 data combined from three dates produced r = 0.98.

Study of strain-stress behavior when reconstructing rotary kiln tyres from floating to welded-in type

NASA Astrophysics Data System (ADS)

Shchetinin, N. A.; Duganova, E. V.; Golubenko, N. V.; Novikov, I. A.; Korneev, A. S.

2018-03-01

The paper provides modeling results in the CAD/CAE SolidWorks system with embedded FE-analysis package SolidWorks Simulation to study the hardness of floating tyres during their reconstruction into welded-in tyres.

Geochemical modeling of reactions and partitioning of trace metals and radionuclides during titration of contaminated acidic sediments.

PubMed

Zhang, Fan; Luo, Wensui; Parker, Jack C; Spalding, Brian P; Brooks, Scott C; Watson, David B; Jardine, Philip M; Gu, Baohua

2008-11-01

Many geochemical reactions that control aqueous metal concentrations are directly affected by solution pH. However, changes in solution pH are strongly buffered by various aqueous phase and solid phase precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior of the soil-solution system is thus critical to predict metal transport under variable pH conditions. This studywas undertaken to develop a practical generic geochemical modeling approach to predict aqueous and solid phase concentrations of metals and anions during conditions of acid or base additions. The method of Spalding and Spalding was utilized to model soil buffer capacity and pH-dependent cation exchange capacity by treating aquifer solids as a polyprotic acid. To simulate the dynamic and pH-dependent anion exchange capacity, the aquifer solids were simultaneously treated as a polyprotic base controlled by mineral precipitation/ dissolution reactions. An equilibrium reaction model that describes aqueous complexation, precipitation, sorption and soil buffering with pH-dependent ion exchange was developed using HydroGeoChem v5.0 (HGC5). Comparison of model results with experimental titration data of pH, Al, Ca, Mg, Sr, Mn, Ni, Co, and SO4(2-) for contaminated sediments indicated close agreement suggesting that the model could potentially be used to predictthe acid-base behavior of the sediment-solution system under variable pH conditions.

Detailed Multi‐dimensional Modeling of Direct Internal Reforming Solid Oxide Fuel Cells

PubMed Central

Tseronis, K.; Fragkopoulos, I.S.; Bonis, I.

2016-01-01

Abstract Fuel flexibility is a significant advantage of solid oxide fuel cells (SOFCs) and can be attributed to their high operating temperature. Here we consider a direct internal reforming solid oxide fuel cell setup in which a separate fuel reformer is not required. We construct a multidimensional, detailed model of a planar solid oxide fuel cell, where mass transport in the fuel channel is modeled using the Stefan‐Maxwell model, whereas the mass transport within the porous electrodes is simulated using the Dusty‐Gas model. The resulting highly nonlinear model is built into COMSOL Multiphysics, a commercial computational fluid dynamics software, and is validated against experimental data from the literature. A number of parametric studies is performed to obtain insights on the direct internal reforming solid oxide fuel cell system behavior and efficiency, to aid the design procedure. It is shown that internal reforming results in temperature drop close to the inlet and that the direct internal reforming solid oxide fuel cell performance can be enhanced by increasing the operating temperature. It is also observed that decreases in the inlet temperature result in smoother temperature profiles and in the formation of reduced thermal gradients. Furthermore, the direct internal reforming solid oxide fuel cell performance was found to be affected by the thickness of the electrochemically‐active anode catalyst layer, although not always substantially, due to the counter‐balancing behavior of the activation and ohmic overpotentials. PMID:27570502

Surface Modeling, Solid Modeling and Finite Element Modeling. Analysis Capabilities of Computer-Assisted Design and Manufacturing Systems.

ERIC Educational Resources Information Center

Nee, John G.; Kare, Audhut P.

1987-01-01

Explores several concepts in computer assisted design/computer assisted manufacturing (CAD/CAM). Defines, evaluates, reviews and compares advanced computer-aided geometric modeling and analysis techniques. Presents the results of a survey to establish the capabilities of minicomputer based-systems with the CAD/CAM packages evaluated. (CW)

The Uhlenbeck-Ford model: Exact virial coefficients and application as a reference system in fluid-phase free-energy calculations

NASA Astrophysics Data System (ADS)

Paula Leite, Rodolfo; Freitas, Rodrigo; Azevedo, Rodolfo; de Koning, Maurice

2016-11-01

The Uhlenbeck-Ford (UF) model was originally proposed for the theoretical study of imperfect gases, given that all its virial coefficients can be evaluated exactly, in principle. Here, in addition to computing the previously unknown coefficients B11 through B13, we assess its applicability as a reference system in fluid-phase free-energy calculations using molecular simulation techniques. Our results demonstrate that, although the UF model itself is too soft, appropriately scaled Uhlenbeck-Ford (sUF) models provide robust reference systems that allow accurate fluid-phase free-energy calculations without the need for an intermediate reference model. Indeed, in addition to the accuracy with which their free energies are known and their convenient scaling properties, the fluid is the only thermodynamically stable phase for a wide range of sUF models. This set of favorable properties may potentially put the sUF fluid-phase reference systems on par with the standard role that harmonic and Einstein solids play as reference systems for solid-phase free-energy calculations.

Preliminary Analysis of a Fully Solid State Magnetocaloric Refrigeration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abdelaziz, Omar

Magnetocaloric refrigeration is an alternative refrigeration technology with significant potential energy savings compared to conventional vapor compression refrigeration technology. Most of the reported active magnetic regenerator (AMR) systems that operate based on the magnetocaloric effect use heat transfer fluid to exchange heat, which results in complicated mechanical subsystems and components such as rotating valves and hydraulic pumps. In this paper, we propose an alternative mechanism for heat transfer between the AMR and the heat source/sink. High-conductivity moving rods/sheets (e.g. copper, brass, iron, graphite, aluminum or composite structures from these) are utilized instead of heat transfer fluid significantly enhancing the heatmore » transfer rate hence cooling/heating capacity. A one-dimensional model is developed to study the solid state AMR. In this model, the heat exchange between the solid-solid interfaces is modeled via a contact conductance, which depends on the interface apparent pressure, material hardness, thermal conductivity, surface roughness, surface slope between the interfaces, and material filled in the gap between the interfaces. Due to the tremendous impact of the heat exchange on the AMR cycle performance, a sensitivity analysis is conducted employing a response surface method, in which the apparent pressure, effective surface roughness and grease thermal conductivity are the uncertainty factors. COP and refrigeration capacity are presented as the response in the sensitivity analysis to reveal the important factors influencing the fully solid state AMR and optimize the solid state AMR efficiency. The performances of fully solid state AMR and traditional AMR are also compared and discussed in present work. The results of this study will provide general guidelines for designing high performance solid state AMR systems.« less

Human life support during interplanetary travel and domicile. V - Mars expedition technology trade study for solid waste management

NASA Technical Reports Server (NTRS)

Ferrall, Joe; Rohatgi, Naresh K.; Seshan, P. K.

1992-01-01

A model has been developed for NASA to quantitatively compare and select life support systems and technology options. The model consists of a modular, top-down hierarchical breakdown of the life support system into subsystems, and further breakdown of subsystems into functional elements representing individual processing technologies. This paper includes the technology trades for a Mars mission, using solid waste treatment technologies to recover water from selected liquid and solid waste streams. Technologies include freeze drying, thermal drying, wet oxidation, combustion, and supercritical-water oxidation. The use of these technologies does not have any significant advantages with respect to weight; however, significant power penalties are incurred. A benefit is the ability to convert hazardous waste into a useful resource, namely water.

Coherent thermodynamic model for solid, liquid and gas phases of elements and simple compounds in wide ranges of pressure and temperature

NASA Astrophysics Data System (ADS)

Holzapfel, Wilfried B.

2018-06-01

Thermodynamic modeling of fluids (liquids and gases) uses mostly series expansions which diverge at low temperatures and do not fit to the behavior of metastable quenched fluids (amorphous, glass like solids). These divergences are removed in the present approach by the use of reasonable forms for the "cold" potential energy and for the thermal pressure of the fluid system. Both terms are related to the potential energy and to the thermal pressure of the crystalline phase in a coherent way, which leads to simpler and non diverging series expansions for the thermal pressure and thermal energy of the fluid system. Data for solid and fluid argon are used to illustrate the potential of the present approach.

Research in nonlinear structural and solid mechanics

NASA Technical Reports Server (NTRS)

Mccomb, H. G., Jr. (Compiler); Noor, A. K. (Compiler)

1981-01-01

Recent and projected advances in applied mechanics, numerical analysis, computer hardware and engineering software, and their impact on modeling and solution techniques in nonlinear structural and solid mechanics are discussed. The fields covered are rapidly changing and are strongly impacted by current and projected advances in computer hardware. To foster effective development of the technology perceptions on computing systems and nonlinear analysis software systems are presented.

An unstructured mathematical model for growth of Pleurotus ostreatus on lignocellulosic material in solid-state fermentation systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarikaya, A.; Ladisch, M.R.

1997-01-01

Inedible plant material, generated in a Controlled Ecological Life Support System (CELSS), should be recycled preferably by bioregenerative methods that utilize enzymes or micro-organisms. This material consists of hemicellulose, cellulose, and lignin with the lignin fraction representing a recalcitrant component that is not readily treated by enzymatic methods. Consequently, the white-rot fungus, Pleurotus ostreatus, is attractive since it effectively degrades lignin and produces edible mushrooms. This work describes an unstructured model for the growth of P. ostreatus in a solid-state fermentation system using lignocellulosic plant materials from Brassica napus (rapeseed) as a substrate at three different particle sizes. A logisticmore » function model based on area was found to fit the surface growth of the mycelium on the solid substrate with respect to time, whereas a model based on diameter, alone, did not fit the data as well. The difference between the two measures of growth was also evident for mycelial growth in a bioreactor designed to facilitate a slow flowrate of air through the 1.5 cm thick mat of lignocellulosic biomass particles. The result is consistent with the concept of competition of the mycelium for the substrate that surrounds it, rather than just substrate that is immediately available to single cells. This approach provides a quantitative measure of P. ostreatus growth on lignocellulosic biomass in a solid-state fermentation system. The experimental data show that the best growth is obtained for the largest particles (1 cm) of the lignocellulosic substrate. 13 refs., 6 figs., 2 tabs.« less

Nitrification Processes, Conversion Kinetics, Physical Substrate Preferences and Source Function Analysis for an Aquatic Nitrification Model System

NASA Astrophysics Data System (ADS)

Zimmer, J.; O'Connor, B.; Halmo, K.; Xiong, A.

2016-02-01

Nitrification is one of the processes that prevents accumulation of ammonium in aerobic near-bottom water of almost any basin-type ecosystem. Ammonium arises in part from digestive excretion as well as decomposition and diagenesis of organic matter. Ammonium inputs are especially pronounced near abundant benthic invertebrate communities (e.g., mussel or oyster beds) and where fish congregate en masse. Recent basin-scale changes in ecology of Lake Michigan have resulted in several zones of high excretion that are not accompanied by ammonium accumulation. A roller-bottle simulation of the sediment-water interface, using sand as the solid phase, is used with natural enrichments of nitrifier communities to measure empirical values for key terms in a mathematical model to describe the N-cycle process components of our closed model system. The maximum velocity of transformation is directly proportional to solid phase material in a mature system, with half-saturation values for ammonium and nitrite transformation of 207.3 and 10.8 µM respectively. These are significantly higher than ambient concentrations of 2-5 and 0.2-1.0 µM respectively for dense invertebrate communities but in line with observed values for dense fish aggregations. Thus regulation of reduced nitrogenous compounds can be very effective in these communities when there is sufficient interaction of the solid substrate with the source water. Further analysis of rate parameters and controls in the model system, and assessment of different natural and artificial solid phases for biofilm establishment and nitrification parameters is underway.

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin I.

2016-01-01

This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.

A microstructure-based model for shape distortion during liquid phase sintering

NASA Astrophysics Data System (ADS)

Upadhyaya, Anish

Tight dimensional control is a major concern in consolidation of alloys via liquid phase sintering. This research demonstrates the role of microstructure in controlling the bulk dimensional changes that occur during liquid phase sintering. The dimensional changes were measured using a coordinate measuring machine and also on a real-time basis using in situ video imaging. To quantify compact distortion, a distortion parameter is formulated which takes into consideration the compact distortion in radial as well as axial directions. The microstructural attributes considered in this study are as follows: solid content, dihedral angle, grain size, grain contiguity and connectivity, and solid-solubility. Sintering experiments were conducted with the W-Ni-Cu, W-Ni-Fe, Mo-Ni-Cu, and Fe-Cu systems. The alloy systems and the compositions were selected to give a range of microstructures during liquid phase sintering. The results show that distortion correlates with the measured microstructural attributes. Systems containing a high solid content, high grain coordination number and contiguity, and large dihedral angle have more structural rigidity. The results show that a minimum two-dimensional grain coordination number of 3.0 is necessary for shape preservation. Based on the experimental observations, a model is derived that relates the critical solid content required for maintaining structural rigidity to the dihedral angle. The critical solid content decreases with an increasing dihedral angle. Consequently, W-Cu alloys, which have a dihedral angle of about 95sp°, can be consolidated without gross distortion with as little as 20 vol.% solid. To comprehensively understand the gravitational effects in the evolution of both the microstructure and the macrostructure during liquid phase sintering, W-Ni-Fe alloys with W content varying from 78 to 93 wt.% were sintered in microgravity. Compositions that slump during ground-based sintering also distort when sintered under microgravity. In ground-based sintering, low solid content alloys distort with a typical elephant-foot profile, while in microgravity, the compacts tend to spheroidize. This study shows that microstructural segregation occurs in both ground-based as well as microgravity sintering. In ground-based experiments, because of the density difference between the solid and the liquid phase, the solid content increases from top to the bottom of the sample. In microgravity, the solid content increases from periphery to the center of the samples. A model is derived to show that grain agglomeration and segregation are energetically favored events and will therefore be inherent to the system, even in the absence of gravity. Real time distortion measurement in alloys having appreciable solid-solubility in the liquid phase, such as W-Ni-Fe and Fe-Cu, show that the bulk of distortion occur within the first 5 min of melt formation. Distortion in such systems can be minimized by presaturating the matrix with the solid phase.

Forecasting municipal solid waste generation using artificial intelligence modelling approaches.

PubMed

Abbasi, Maryam; El Hanandeh, Ali

2016-10-01

Municipal solid waste (MSW) management is a major concern to local governments to protect human health, the environment and to preserve natural resources. The design and operation of an effective MSW management system requires accurate estimation of future waste generation quantities. The main objective of this study was to develop a model for accurate forecasting of MSW generation that helps waste related organizations to better design and operate effective MSW management systems. Four intelligent system algorithms including support vector machine (SVM), adaptive neuro-fuzzy inference system (ANFIS), artificial neural network (ANN) and k-nearest neighbours (kNN) were tested for their ability to predict monthly waste generation in the Logan City Council region in Queensland, Australia. Results showed artificial intelligence models have good prediction performance and could be successfully applied to establish municipal solid waste forecasting models. Using machine learning algorithms can reliably predict monthly MSW generation by training with waste generation time series. In addition, results suggest that ANFIS system produced the most accurate forecasts of the peaks while kNN was successful in predicting the monthly averages of waste quantities. Based on the results, the total annual MSW generated in Logan City will reach 9.4×10(7)kg by 2020 while the peak monthly waste will reach 9.37×10(6)kg. Copyright © 2016 Elsevier Ltd. All rights reserved.

Elastic constants and pressure derivative of elastic constants of Si1-xGex solid solution

NASA Astrophysics Data System (ADS)

Jivani, A. R.; Baria, J. K.; Vyas, P. S.; Jani, A. R.

2013-02-01

Elastic properties of Si1-xGex solid solution with arbitrary (atomic) concentration (x) are studied using the pseudo-alloy atom model based on the pseudopotential theory and on the higher-order perturbation scheme with the application of our own proposed model potential. We have used local-field correction function proposed by Sarkar et al to study Si-Ge system. The Elastic constants and pressure derivatives of elastic constants of the solid solution is investigated with different concentration x of Ge. It is found in the present study that the calculated numerical values of the aforesaid physical properties of Si-Ge system are function of x. The elastic constants (C11, C12 and C44) decrease linearly with increase in concentration x and pressure derivative of elastic constants (C11, C12 and C44) increase with the concentration x of Ge. This study provides better set of theoretical results for such solid solution for further comparison either with theoretical or experimental results.

Propulsion and Power Rapid Response R&D Support Delivery Order 0041: Power Dense Solid Oxide Fuel Cell Systems: High Performance, High Power Density Solid Oxide Fuel Cells - Materials and Load Control

DTIC Science & Technology

2008-12-01

respectively. 2.3.1.2 Brushless DC Motor Brushless direct current ( BLDC ) motors feature high efficiency, ease of control , and astonishingly high power...modeling purposes, we ignore the modeling complexity of the BLDC controller and treat the motor and controller “as commutated”, i.e. we assume the...High Performance, High Power Density Solid Oxide Fuel Cells− Materials and Load Control Stephen W. Sofie, Steven R. Shaw, Peter A. Lindahl, and Lee H

Numerical modeling of sorption kinetics of organic compounds to soil and sediment particles

NASA Astrophysics Data System (ADS)

Wu, Shian-chee; Gschwend, Phillip M.

1988-08-01

A numerical model is developed to simulate hydrophobic organic compound sorption kinetics, based on a retarded intraaggregate diffusion conceptualization of this solid-water exchange process. This model was used to ascertain the sensitivity of the sorption process for various sorbates to nonsteady solution concentrations and to polydisperse soil or sediment aggregate particle size distributions. Common approaches to modeling sorption kinetics amount to simplifications of our model and appear justified only when (1) the concentration fluctuations occur on a time scale which matches the sorption timescale of interest and (2) the particle size distribution is relatively narrow. Finally, a means is provided to estimate the extent of approach of a sorbing system to equilibrium as a function of aggregate size, chemical diffusivity and hydrophobicity, and system solids concentration.

Design approach of an aquaculture cage system for deployment in the constructed channel flow environments of a power plant

PubMed Central

Lee, Jihoon; Fredriksson, David W.; DeCew, Judson; Drach, Andrew; Yim, Solomon C.

2018-01-01

This study provides an engineering approach for designing an aquaculture cage system for use in constructed channel flow environments. As sustainable aquaculture has grown globally, many novel techniques have been introduced such as those implemented in the global Atlantic salmon industry. The advent of several highly sophisticated analysis software systems enables the development of such novel engineering techniques. These software systems commonly include three-dimensional (3D) drafting, computational fluid dynamics, and finite element analysis. In this study, a combination of these analysis tools is applied to evaluate a conceptual aquaculture system for potential deployment in a power plant effluent channel. The channel is supposedly clean; however, it includes elevated water temperatures and strong currents. The first portion of the analysis includes the design of a fish cage system with specific net solidities using 3D drafting techniques. Computational fluid dynamics is then applied to evaluate the flow reduction through the system from the previously generated solid models. Implementing the same solid models, a finite element analysis is performed on the critical components to assess the material stresses produced by the drag force loads that are calculated from the fluid velocities. PMID:29897954

Process optimization of solid rad waste management at the Shelter object transformation to the ecologically safety system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Batiy, V.G.; Stojanov, A.I.; Schmieman, E.

2007-07-01

Methodological approach of optimization of schemes of solid radwaste management of the Object Shelter (Shelter) and ChNPP industrial site during transformation to the ecologically safe system was developed. On the basis of the conducted models researches the ALARA-analysis was carried out for the choice of optimum variant of schemes and technologies of solid radwaste management. The criteria of choice of optimum schemes, which are directed on optimization of doses and financial expenses, minimization of amount of the formed radwaste etc, were developed for realization of this ALARA-analysis. (authors)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dumbser, Michael, E-mail: michael.dumbser@unitn.it; Peshkov, Ilya, E-mail: peshkov@math.nsc.ru; Romenski, Evgeniy, E-mail: evrom@math.nsc.ru

Highlights: • High order schemes for a unified first order hyperbolic formulation of continuum mechanics. • The mathematical model applies simultaneously to fluid mechanics and solid mechanics. • Viscous fluids are treated in the frame of hyper-elasticity as generalized visco-plastic solids. • Formal asymptotic analysis reveals the connection with the Navier–Stokes equations. • The distortion tensor A in the model appears to be well-suited for flow visualization. - Abstract: This paper is concerned with the numerical solution of the unified first order hyperbolic formulation of continuum mechanics recently proposed by Peshkov and Romenski [110], further denoted as HPR model. Inmore » that framework, the viscous stresses are computed from the so-called distortion tensor A, which is one of the primary state variables in the proposed first order system. A very important key feature of the HPR model is its ability to describe at the same time the behavior of inviscid and viscous compressible Newtonian and non-Newtonian fluids with heat conduction, as well as the behavior of elastic and visco-plastic solids. Actually, the model treats viscous and inviscid fluids as generalized visco-plastic solids. This is achieved via a stiff source term that accounts for strain relaxation in the evolution equations of A. Also heat conduction is included via a first order hyperbolic system for the thermal impulse, from which the heat flux is computed. The governing PDE system is hyperbolic and fully consistent with the first and the second principle of thermodynamics. It is also fundamentally different from first order Maxwell–Cattaneo-type relaxation models based on extended irreversible thermodynamics. The HPR model represents therefore a novel and unified description of continuum mechanics, which applies at the same time to fluid mechanics and solid mechanics. In this paper, the direct connection between the HPR model and the classical hyperbolic–parabolic Navier–Stokes–Fourier theory is established for the first time via a formal asymptotic analysis in the stiff relaxation limit. From a numerical point of view, the governing partial differential equations are very challenging, since they form a large nonlinear hyperbolic PDE system that includes stiff source terms and non-conservative products. We apply the successful family of one-step ADER–WENO finite volume (FV) and ADER discontinuous Galerkin (DG) finite element schemes to the HPR model in the stiff relaxation limit, and compare the numerical results with exact or numerical reference solutions obtained for the Euler and Navier–Stokes equations. Numerical convergence results are also provided. To show the universality of the HPR model, the paper is rounded-off with an application to wave propagation in elastic solids, for which one only needs to switch off the strain relaxation source term in the governing PDE system. We provide various examples showing that for the purpose of flow visualization, the distortion tensor A seems to be particularly useful.« less

Overview of EPA tools for supporting local-, state- and regional-level decision makers addressing energy and environmental issues: NYC MARKAL Energy Systems Model and Municipal Solid Waste Decision Support Tool

EPA Science Inventory

A workshop will be conducted to demonstrate and focus on two decision support tools developed at EPA/ORD: 1. Community-scale MARKAL model: an energy-water technology evaluation tool and 2. Municipal Solid Waste Decision Support Tool (MSW DST). The Workshop will be part of Southea...

A discrete model of Ostwald ripening based on multiple pairwise interactions

NASA Astrophysics Data System (ADS)

Di Nunzio, Paolo Emilio

2018-06-01

A discrete multi-particle model of Ostwald ripening based on direct pairwise interactions is developed for particles with incoherent interfaces as an alternative to the classical LSW mean field theory. The rate of matter exchange depends on the average surface-to-surface interparticle distance, a characteristic feature of the system which naturally incorporates the effect of volume fraction of second phase. The multi-particle diffusion is described through the definition of an interaction volume containing all the particles involved in the exchange of solute. At small volume fractions this is proportional to the size of the central particle, at higher volume fractions it gradually reduces as a consequence of diffusion screening described on a geometrical basis. The topological noise present in real systems is also included. For volume fractions below about 0.1 the model predicts broad and right-skewed stationary size distributions resembling a lognormal function. Above this value, a transition to sharper, more symmetrical but still right-skewed shapes occurs. An excellent agreement with experiments is obtained for 3D particle size distributions of solid-solid and solid-liquid systems with volume fraction 0.07, 0.30, 0.52 and 0.74. The kinetic constant of the model depends on the cube root of volume fraction up to about 0.1, then increases rapidly with an upward concavity. It is in good agreement with the available literature data on solid-liquid mixtures in the volume fraction range from 0.20 to about 0.75.

Extraction of effective solid-liquid interfacial free energies for full 3D solid crystallites from equilibrium MD simulations

DOE PAGES

Zepeda-Ruiz, L. A.; Sadigh, B.; Chernov, A. A.; ...

2017-11-21

Molecular dynamics simulations of an embedded atom copper system in the NPH ensemble are used to study the e ective solid-liquid interfacial free energy of quasispherical solid crystals within a liquid. This is within the larger context of MD simulations of this system undergoing solidi cation, where single individually-prepared crystallites of di erent sizes grow until they reach a thermodynamically stable nal state. The resulting equilibrium shapes possess the full structural details expected for solids with weakly anisotropic surface free energies (in these cases, ~5 % radial attening and rounded [111] octahedral faces). The simplifying assumption of sphericity and perfectmore » isotropy leads to an e ective interfacial free energy as appearing in the Gibbs-Thomson equation, which we determine to be ~179 erg/cm 2, roughly independent of crystal size for radii in the 50 - 250 A range. This quantity may be used in atomistically-informed models of solidi cation kinetics for this system.« less

Extraction of effective solid-liquid interfacial free energies for full 3D solid crystallites from equilibrium MD simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zepeda-Ruiz, L. A.; Sadigh, B.; Chernov, A. A.

Molecular dynamics simulations of an embedded atom copper system in the NPH ensemble are used to study the e ective solid-liquid interfacial free energy of quasispherical solid crystals within a liquid. This is within the larger context of MD simulations of this system undergoing solidi cation, where single individually-prepared crystallites of di erent sizes grow until they reach a thermodynamically stable nal state. The resulting equilibrium shapes possess the full structural details expected for solids with weakly anisotropic surface free energies (in these cases, ~5 % radial attening and rounded [111] octahedral faces). The simplifying assumption of sphericity and perfectmore » isotropy leads to an e ective interfacial free energy as appearing in the Gibbs-Thomson equation, which we determine to be ~179 erg/cm 2, roughly independent of crystal size for radii in the 50 - 250 A range. This quantity may be used in atomistically-informed models of solidi cation kinetics for this system.« less

Modeling and experimental performance of an intermediate temperature reversible solid oxide cell for high-efficiency, distributed-scale electrical energy storage

NASA Astrophysics Data System (ADS)

Wendel, Christopher H.; Gao, Zhan; Barnett, Scott A.; Braun, Robert J.

2015-06-01

Electrical energy storage is expected to be a critical component of the future world energy system, performing load-leveling operations to enable increased penetration of renewable and distributed generation. Reversible solid oxide cells, operating sequentially between power-producing fuel cell mode and fuel-producing electrolysis mode, have the capability to provide highly efficient, scalable electricity storage. However, challenges ranging from cell performance and durability to system integration must be addressed before widespread adoption. One central challenge of the system design is establishing effective thermal management in the two distinct operating modes. This work leverages an operating strategy to use carbonaceous reactant species and operate at intermediate stack temperature (650 °C) to promote exothermic fuel-synthesis reactions that thermally self-sustain the electrolysis process. We present performance of a doped lanthanum-gallate (LSGM) electrolyte solid oxide cell that shows high efficiency in both operating modes at 650 °C. A physically based electrochemical model is calibrated to represent the cell performance and used to simulate roundtrip operation for conditions unique to these reversible systems. Design decisions related to system operation are evaluated using the cell model including current density, fuel and oxidant reactant compositions, and flow configuration. The analysis reveals tradeoffs between electrical efficiency, thermal management, energy density, and durability.

Method and system for controlling a gasification or partial oxidation process

DOEpatents

Rozelle, Peter L; Der, Victor K

2015-02-10

A method and system for controlling a fuel gasification system includes optimizing a conversion of solid components in the fuel to gaseous fuel components, controlling the flux of solids entrained in the product gas through equipment downstream of the gasifier, and maximizing the overall efficiencies of processes utilizing gasification. A combination of models, when utilized together, can be integrated with existing plant control systems and operating procedures and employed to develop new control systems and operating procedures. Such an approach is further applicable to gasification systems that utilize both dry feed and slurry feed.

A facility location model for municipal solid waste management system under uncertain environment.

PubMed

Yadav, Vinay; Bhurjee, A K; Karmakar, Subhankar; Dikshit, A K

2017-12-15

In municipal solid waste management system, decision makers have to develop an insight into the processes namely, waste generation, collection, transportation, processing, and disposal methods. Many parameters (e.g., waste generation rate, functioning costs of facilities, transportation cost, and revenues) in this system are associated with uncertainties. Often, these uncertainties of parameters need to be modeled under a situation of data scarcity for generating probability distribution function or membership function for stochastic mathematical programming or fuzzy mathematical programming respectively, with only information of extreme variations. Moreover, if uncertainties are ignored, then the problems like insufficient capacities of waste management facilities or improper utilization of available funds may be raised. To tackle uncertainties of these parameters in a more efficient manner an algorithm, based on interval analysis, has been developed. This algorithm is applied to find optimal solutions for a facility location model, which is formulated to select economically best locations of transfer stations in a hypothetical urban center. Transfer stations are an integral part of contemporary municipal solid waste management systems, and economic siting of transfer stations ensures financial sustainability of this system. The model is written in a mathematical programming language AMPL with KNITRO as a solver. The developed model selects five economically best locations out of ten potential locations with an optimum overall cost of [394,836, 757,440] Rs. 1 /day ([5906, 11,331] USD/day) approximately. Further, the requirement of uncertainty modeling is explained based on the results of sensitivity analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

Mathematical modeling to predict residential solid waste generation.

PubMed

Benítez, Sara Ojeda; Lozano-Olvera, Gabriela; Morelos, Raúl Adalberto; Vega, Carolina Armijo de

2008-01-01

One of the challenges faced by waste management authorities is determining the amount of waste generated by households in order to establish waste management systems, as well as trying to charge rates compatible with the principle applied worldwide, and design a fair payment system for households according to the amount of residential solid waste (RSW) they generate. The goal of this research work was to establish mathematical models that correlate the generation of RSW per capita to the following variables: education, income per household, and number of residents. This work was based on data from a study on generation, quantification and composition of residential waste in a Mexican city in three stages. In order to define prediction models, five variables were identified and included in the model. For each waste sampling stage a different mathematical model was developed, in order to find the model that showed the best linear relation to predict residential solid waste generation. Later on, models to explore the combination of included variables and select those which showed a higher R(2) were established. The tests applied were normality, multicolinearity and heteroskedasticity. Another model, formulated with four variables, was generated and the Durban-Watson test was applied to it. Finally, a general mathematical model is proposed to predict residential waste generation, which accounts for 51% of the total.

Improving the dissolution rate of poorly water soluble drug by solid dispersion and solid solution: pros and cons.

PubMed

Chokshi, Rina J; Zia, Hossein; Sandhu, Harpreet K; Shah, Navnit H; Malick, Waseem A

2007-01-01

The solid dispersions with poloxamer 188 (P188) and solid solutions with polyvinylpyrrolidone K30 (PVPK30) were evaluated and compared in an effort to improve aqueous solubility and bioavailability of a model hydrophobic drug. All preparations were characterized by differential scanning calorimetry, powder X-ray diffraction, intrinsic dissolution rates, and contact angle measurements. Accelerated stability studies also were conducted to determine the effects of aging on the stability of various formulations. The selected solid dispersion and solid solution formulations were further evaluated in beagle dogs for in vivo testing. Solid dispersions were characterized to show that the drug retains its crystallinity and forms a two-phase system. Solid solutions were characterized to be an amorphous monophasic system with transition of crystalline drug to amorphous state. The evaluation of the intrinsic dissolution rates of various preparations indicated that the solid solutions have higher initial dissolution rates compared with solid dispersions. However, after storage at accelerated conditions, the dissolution rates of solid solutions were lower due to partial reversion to crystalline form. The drug in solid dispersion showed better bioavailability in comparison to solid solution. Therefore, considering physical stability and in vivo study results, the solid dispersion was the most suitable choice to improve dissolution rates and hence the bioavailability of the poorly water soluble drug.

An advanced computational bioheat transfer model for a human body with an embedded systemic circulation.

PubMed

Coccarelli, Alberto; Boileau, Etienne; Parthimos, Dimitris; Nithiarasu, Perumal

2016-10-01

In the present work, an elaborate one-dimensional thermofluid model for a human body is presented. By contrast to the existing pure conduction-/perfusion-based models, the proposed methodology couples the arterial fluid dynamics of a human body with a multi-segmental bioheat model of surrounding solid tissues. In the present configuration, arterial flow is included through a network of elastic vessels. More than a dozen solid segments are employed to represent the heat conduction in the surrounding tissues, and each segment is constituted by a multilayered circular cylinder. Such multi-layers allow flexible delineation of the geometry and incorporation of properties of different tissue types. The coupling of solid tissue and fluid models requires subdivision of the arterial circulation into large and small arteries. The heat exchange between tissues and arterial wall occurs by convection in large vessels and by perfusion in small arteries. The core region, including the heart, provides the inlet conditions for the fluid equations. In the proposed model, shivering, sweating, and perfusion changes constitute the basis of the thermoregulatory system. The equations governing flow and heat transfer in the circulatory system are solved using a locally conservative Galerkin approach, and the heat conduction in the surrounding tissues is solved using a standard implicit backward Euler method. To investigate the effectiveness of the proposed model, temperature field evolutions are monitored at different points of the arterial tree and in the surrounding tissue layers. To study the differences due to flow-induced convection effects on thermal balance, the results of the current model are compared against those of the widely used modelling methodologies. The results show that the convection significantly influences the temperature distribution of the solid tissues in the vicinity of the arteries. Thus, the inner convection has a more predominant role in the human body heat balance than previously thought. To demonstrate its capabilities, the proposed new model is used to study different scenarios, including thermoregulation inactivity and variation in surrounding atmospheric conditions.

Optimal design and operation of solid oxide fuel cell systems for small-scale stationary applications

NASA Astrophysics Data System (ADS)

Braun, Robert Joseph

The advent of maturing fuel cell technologies presents an opportunity to achieve significant improvements in energy conversion efficiencies at many scales; thereby, simultaneously extending our finite resources and reducing "harmful" energy-related emissions to levels well below that of near-future regulatory standards. However, before realization of the advantages of fuel cells can take place, systems-level design issues regarding their application must be addressed. Using modeling and simulation, the present work offers optimal system design and operation strategies for stationary solid oxide fuel cell systems applied to single-family detached dwellings. A one-dimensional, steady-state finite-difference model of a solid oxide fuel cell (SOFC) is generated and verified against other mathematical SOFC models in the literature. Fuel cell system balance-of-plant components and costs are also modeled and used to provide an estimate of system capital and life cycle costs. The models are used to evaluate optimal cell-stack power output, the impact of cell operating and design parameters, fuel type, thermal energy recovery, system process design, and operating strategy on overall system energetic and economic performance. Optimal cell design voltage, fuel utilization, and operating temperature parameters are found using minimization of the life cycle costs. System design evaluations reveal that hydrogen-fueled SOFC systems demonstrate lower system efficiencies than methane-fueled systems. The use of recycled cell exhaust gases in process design in the stack periphery are found to produce the highest system electric and cogeneration efficiencies while achieving the lowest capital costs. Annual simulations reveal that efficiencies of 45% electric (LHV basis), 85% cogenerative, and simple economic paybacks of 5--8 years are feasible for 1--2 kW SOFC systems in residential-scale applications. Design guidelines that offer additional suggestions related to fuel cell-stack sizing and operating strategy (base-load or load-following and cogeneration or electric-only) are also presented.

Magnetic islands modelled by a phase-field-crystal approach

NASA Astrophysics Data System (ADS)

Faghihi, Niloufar; Mkhonta, Simiso; Elder, Ken R.; Grant, Martin

2018-03-01

Using a minimal model based on the phase-field-crystal formalism, we study the coupling between the density and magnetization in ferromagnetic solids. Analytical calculations for the square phase in two dimensions are presented and the small deformation properties of the system are examined. Furthermore, numerical simulations are conducted to study the influence of an external magnetic field on various phase transitions, the anisotropic properties of the free energy functional, and the scaling behaviour of the growth of the magnetic domains in a crystalline solid. It is shown that the energy of the system can depend on the direction of the magnetic moments, with respect to the crystalline direction. Furthermore, the growth of the magnetic domains in a crystalline solid is studied and is shown that the growth of domains is in agreement with expected behaviour.

Coupled flow and deformations in granular systems beyond the pendular regime

NASA Astrophysics Data System (ADS)

Yuan, Chao; Chareyre, Bruno; Darve, Felix

2017-06-01

A pore-scale numerical model is proposed for simulating the quasi-static primary drainage and the hydro-mechanical couplings in multiphase granular systems. The solid skeleton is idealized to a dense random packing of polydisperse spheres by DEM. The fluids (nonwetting and wetting phases) space is decomposed to a network of tetrahedral pores based on the Regular Triangulation method. The local drainage rules and invasion logic are defined. The fluid forces acting on solid grains are formulated. The model can simulate the hydraulic evolution from a fully saturated state to a low level of saturation but beyond the pendular regime. The features of wetting phase entrapments and capillary fingering can also be reproduced. Finally, a primary drainage test is performed on a 40,000 spheres of sample. The water retention curve is obtained. The solid skeleton first shrinks then swells.

High order ADER schemes for a unified first order hyperbolic formulation of continuum mechanics: Viscous heat-conducting fluids and elastic solids

NASA Astrophysics Data System (ADS)

Dumbser, Michael; Peshkov, Ilya; Romenski, Evgeniy; Zanotti, Olindo

2016-06-01

This paper is concerned with the numerical solution of the unified first order hyperbolic formulation of continuum mechanics recently proposed by Peshkov and Romenski [110], further denoted as HPR model. In that framework, the viscous stresses are computed from the so-called distortion tensor A, which is one of the primary state variables in the proposed first order system. A very important key feature of the HPR model is its ability to describe at the same time the behavior of inviscid and viscous compressible Newtonian and non-Newtonian fluids with heat conduction, as well as the behavior of elastic and visco-plastic solids. Actually, the model treats viscous and inviscid fluids as generalized visco-plastic solids. This is achieved via a stiff source term that accounts for strain relaxation in the evolution equations of A. Also heat conduction is included via a first order hyperbolic system for the thermal impulse, from which the heat flux is computed. The governing PDE system is hyperbolic and fully consistent with the first and the second principle of thermodynamics. It is also fundamentally different from first order Maxwell-Cattaneo-type relaxation models based on extended irreversible thermodynamics. The HPR model represents therefore a novel and unified description of continuum mechanics, which applies at the same time to fluid mechanics and solid mechanics. In this paper, the direct connection between the HPR model and the classical hyperbolic-parabolic Navier-Stokes-Fourier theory is established for the first time via a formal asymptotic analysis in the stiff relaxation limit. From a numerical point of view, the governing partial differential equations are very challenging, since they form a large nonlinear hyperbolic PDE system that includes stiff source terms and non-conservative products. We apply the successful family of one-step ADER-WENO finite volume (FV) and ADER discontinuous Galerkin (DG) finite element schemes to the HPR model in the stiff relaxation limit, and compare the numerical results with exact or numerical reference solutions obtained for the Euler and Navier-Stokes equations. Numerical convergence results are also provided. To show the universality of the HPR model, the paper is rounded-off with an application to wave propagation in elastic solids, for which one only needs to switch off the strain relaxation source term in the governing PDE system. We provide various examples showing that for the purpose of flow visualization, the distortion tensor A seems to be particularly useful.

Superfluid--Solid Quantum Phase Transitions and Landau-Ginzburg-Wilson Paradigm

NASA Astrophysics Data System (ADS)

Kuklov, A. B.; Prokof'ev, N. V.

2005-03-01

We study superfluid (SF)--solid zero-temperature transitions in 2d lattice boson/spin models by Worm-Algorithm Monte Carlo simulations. The SF -- Valence Bond Solid (VBS) transition was recently argued to be generically of II order in violation of the Ginzburg-Landau- Wilson (GLW) paradigm [1]. We simulate the J-current model on lattices up to 64x64x64, and observe that SF- columnar VBS and SF-checkerboard solid transitions are typically weak I-order ones and in small systems they may be confused with the continuous or high-symmetry points [2]. Thus, in the simulated model, the SF-VBS transition proceeds in agreement with the GLW paradigm. We explain this by dominance of standard particle and hole excitations, as opposed to fractionalized (spinon) excitations [1]. We developed a technique based on tunneling events (instantons) in the insulating phase which reveals charges of the revelant long-wave modes. While in 1d systems spinons are clearly seen in tunneling events, in two spatial dimensions tunneling is solely controlled by particles and holes in our system. This work is supported by NSF grant ITR-405460001 and PSC-CUNY- 665560035. [1] T. Senthil, A. Vishwanath, L. Balents, S. Sachdev, and M.P.A. Fisher, Science 303, 1490 (2004); [2] A.B. Kuklov, N.V. Prokof'ev, B.V. Svistunov, condmat/0406061; PRL, to be published.

Influence of food intrinsic complexity on Listeria monocytogenes growth in/on vacuum-packed model systems at suboptimal temperatures.

PubMed

Baka, Maria; Noriega, Estefanía; Van Langendonck, Kristof; Van Impe, Jan F

2016-10-17

Food intrinsic factors e.g., food (micro)structure, compositional and physicochemical aspects, which are mutually dependent, influence microbial growth. While the effect of composition and physicochemical properties on microbial growth has been thoroughly assessed and characterised, the role of food (micro)structure still remains unravelled. Most studies on food (micro)structure focus on comparing planktonic growth in liquid (microbiological) media with colonial growth in/on solid-like systems or on real food surfaces. However, foods are not only liquids or solids; they can also be emulsions or gelled emulsions and have complex compositions. In this study, Listeria monocytogenes growth was studied on the whole spectrum of (micro)structure, in terms of food (model) systems. The model systems varied not only in (micro)structure, which was the target of the study, but also in compositional and physicochemical characteristics, which was an inevitable consequence of the (micro)structural variability. The compositional and physicochemical differences were mainly due to the presence or absence of fat and gelling agents. The targeted (micro)structures were: i) liquids, ii) aqueous gels, iii) emulsions and iv) gelled emulsions. Furthermore, the microbial dynamics were studied and compared in/on all these model systems, as well as on a compositionally predefined canned meat, developed in order to have equal compositional level to the gelled emulsion model system and represent a real food system. Frankfurter sausages were the targeted real foods, selected as a case study, to which the canned meat had similar compositional characteristics. All systems were vacuum packed and incubated at 4, 8 and 12°C. The most appropriate protocol for the preparation of the model systems was developed. The pH, water activity and resistance to penetration of the model systems were characterised. Results indicated that low temperature contributes to growth variations among the model systems. Additionally, the firmer the solid system, the faster L. monocytogenes grew on it. Finally, it was found that L. monocytogenes grows faster on canned meat and real Frankfurters, as found in a previous study, followed by liquids, aqueous gels, emulsions and gelled emulsions. This observation indicates that all model systems, developed in this study, underestimated L. monocytogenes growth. Despite some limitations, model systems are overall advantageous and therefore, their validation is always recommended prior to further use. Copyright © 2016. Published by Elsevier B.V.

Using Financial Incentives to Manage the Solid Waste Stream.

ERIC Educational Resources Information Center

Spindler, Charles J.

1991-01-01

This paper reviews two approaches to solid waste stream management that encourage recycling in the beverage industry, a model categorizing public policies directed at diverting postconsumer waste from the waste system, and industry initiatives in the context of these policies. Preemptive and compelled partnerships represent innovations in…

Municipal solid waste generation in municipalities: Quantifying impacts of household structure, commercial waste and domestic fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lebersorger, S.; Beigl, P., E-mail: peter.beigl@boku.ac.at

Waste management planning requires reliable data concerning waste generation, influencing factors on waste generation and forecasts of waste quantities based on facts. This paper aims at identifying and quantifying differences between different municipalities' municipal solid waste (MSW) collection quantities based on data from waste management and on socio-economic indicators. A large set of 116 indicators from 542 municipalities in the Province of Styria was investigated. The resulting regression model included municipal tax revenue per capita, household size and the percentage of buildings with solid fuel heating systems. The model explains 74.3% of the MSW variation and the model assumptions aremore » met. Other factors such as tourism, home composting or age distribution of the population did not significantly improve the model. According to the model, 21% of MSW collected in Styria was commercial waste and 18% of the generated MSW was burned in domestic heating systems. While the percentage of commercial waste is consistent with literature data, practically no literature data are available for the quantity of MSW burned, which seems to be overestimated by the model. The resulting regression model was used as basis for a waste prognosis model (Beigl and Lebersorger, in preparation).« less

Municipal solid waste generation in municipalities: quantifying impacts of household structure, commercial waste and domestic fuel.

PubMed

Lebersorger, S; Beigl, P

2011-01-01

Waste management planning requires reliable data concerning waste generation, influencing factors on waste generation and forecasts of waste quantities based on facts. This paper aims at identifying and quantifying differences between different municipalities' municipal solid waste (MSW) collection quantities based on data from waste management and on socio-economic indicators. A large set of 116 indicators from 542 municipalities in the Province of Styria was investigated. The resulting regression model included municipal tax revenue per capita, household size and the percentage of buildings with solid fuel heating systems. The model explains 74.3% of the MSW variation and the model assumptions are met. Other factors such as tourism, home composting or age distribution of the population did not significantly improve the model. According to the model, 21% of MSW collected in Styria was commercial waste and 18% of the generated MSW was burned in domestic heating systems. While the percentage of commercial waste is consistent with literature data, practically no literature data are available for the quantity of MSW burned, which seems to be overestimated by the model. The resulting regression model was used as basis for a waste prognosis model (Beigl and Lebersorger, in preparation). Copyright © 2011 Elsevier Ltd. All rights reserved.

Sub-grid drag model for immersed vertical cylinders in fluidized beds

DOE PAGES

Verma, Vikrant; Li, Tingwen; Dietiker, Jean -Francois; ...

2017-01-03

Immersed vertical cylinders are often used as heat exchanger in gas-solid fluidized beds. Computational Fluid Dynamics (CFD) simulations are computationally expensive for large scale systems with bundles of cylinders. Therefore sub-grid models are required to facilitate simulations on a coarse grid, where internal cylinders are treated as a porous medium. The influence of cylinders on the gas-solid flow tends to enhance segregation and affect the gas-solid drag. A correction to gas-solid drag must be modeled using a suitable sub-grid constitutive relationship. In the past, Sarkar et al. have developed a sub-grid drag model for horizontal cylinder arrays based on 2Dmore » simulations. However, the effect of a vertical cylinder arrangement was not considered due to computational complexities. In this study, highly resolved 3D simulations with vertical cylinders were performed in small periodic domains. These simulations were filtered to construct a sub-grid drag model which can then be implemented in coarse-grid simulations. Gas-solid drag was filtered for different solids fractions and a significant reduction in drag was identified when compared with simulation without cylinders and simulation with horizontal cylinders. Slip velocities significantly increase when vertical cylinders are present. Lastly, vertical suspension drag due to vertical cylinders is insignificant however substantial horizontal suspension drag is observed which is consistent to the finding for horizontal cylinders.« less

Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method.

PubMed

Ardham, Vikram Reddy; Deichmann, Gregor; van der Vegt, Nico F A; Leroy, Frédéric

2015-12-28

We address the question of how reducing the number of degrees of freedom modifies the interfacial thermodynamic properties of heterogeneous solid-liquid systems. We consider the example of n-hexane interacting with multi-layer graphene which we model both with fully atomistic and coarse-grained (CG) models. The CG models are obtained by means of the conditional reversible work (CRW) method. The interfacial thermodynamics of these models is characterized by the solid-liquid work of adhesion WSL calculated by means of the dry-surface methodology through molecular dynamics simulations. We find that the CRW potentials lead to values of WSL that are larger than the atomistic ones. Clear understanding of the relationship between the structure of n-hexane in the vicinity of the surface and WSL is elucidated through a detailed study of the energy and entropy components of WSL. We highlight the crucial role played by the solid-liquid energy fluctuations. Our approach suggests that CG potentials should be designed in such a way that they preserve the range of solid-liquid interaction energies, but also their fluctuations in order to preserve the reference atomistic value of WSL. Our study thus opens perspectives into deriving CG interaction potentials that preserve the thermodynamics of solid-liquid contacts and will find application in studies that intend to address materials driven by interfaces.

Geochemical Modeling of Reactions and Partitioning of Trace Metals and Radionuclides during Titration of Contaminated Acidic Sediments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fan; Parker, Jack C.; Luo, Wensui

2008-01-01

Many geochemical reactions that control aqueous metal concentrations are directly affected by solution pH. However, changes in solution pH are strongly buffered by various aqueous phase and solid phase precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior of the soil-solution system is thus critical to predict metal transport under variable pH conditions. This study was undertaken to develop a practical generic geochemical modeling approach to predict aqueous and solid phase concentrations of metals and anions during conditions of acid or base additions. The method of Spalding and Spalding was utilized to model soil buffer capacity and pH-dependent cationmore » exchange capacity by treating aquifer solids as a polyprotic acid. To simulate the dynamic and pH-dependent anion exchange capacity, the aquifer solids were simultaneously treated as a polyprotic base controlled by mineral precipitation/dissolution reactions. An equilibrium reaction model that describes aqueous complexation, precipitation, sorption and soil buffering with pH-dependent ion exchange was developed using HydroGeoChem v5.0 (HGC5). Comparison of model results with experimental titration data of pH, Al, Ca, Mg, Sr, Mn, Ni, Co, and SO{sub 4}{sup 2-} for contaminated sediments indicated close agreement, suggesting that the model could potentially be used to predict the acid-base behavior of the sediment-solution system under variable pH conditions.« less

Using the TSAR electromagnetic modeling system

NASA Astrophysics Data System (ADS)

Pennock, S. T.; Laguna, G. W.

1993-09-01

A new user, upon receipt of the TSAR EM modeling system, may be overwhelmed by the number of software packages to learn and the number of manuals associated with those packages. This is a document to describe the creation of a simple TSAR model, beginning with an MGED solid and continuing the process through final results from TSAR. It is not intended to be a complete description of all the parts of the TSAR package. Rather, it is intended simply to touch on all the steps in the modeling process and to take a new user through the system from start to finish. There are six basic parts to the TSAR package. The first, MGED, is part of the BRL-CAD package and is used to create a solid model. The second part, ANASTASIA, is the program used to sample the solid model and create a finite-difference mesh. The third program, IMAGE, lets the user view the mesh itself and verify its accuracy. If everything about the mesh is correct, the process continues to the fourth step, SETUP-TSAR, which creates the parameter files for compiling TSAR and the input file for running a particular simulation. The fifth step is actually running TSAR, the field modeling program. Finally, the output from TSAR is placed into SIG, B2RAS or another program for post-processing and plotting. Each of these steps will be described below. The best way to learn to use the TSAR software is to actually create and run a simple test problem. As an example of how to use the TSAR package, let's create a sphere with a rectangular internal cavity, with conical and cylindrical penetrations connecting the outside to the inside, and find the electric field inside the cavity when the object is exposed to a Gaussian plane wave. We will begin with the solid modeling software, MGED, a part of the BRL-CAD modeling release.

Using the TSAR Electromagnetic modeling system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pennock, S.T.; Laguna, G.W.

1993-09-01

A new user, upon receipt of the TSAR EM modeling system, may be overwhelmed by the number of software packages to learn and the number of manuals associated with those packages. This is a document to describe the creation of a simple TSAR model, beginning with an MGED solid and continuing the process through final results from TSAR. It is not intended to be a complete description of all the parts of the TSAR package. Rather, it is intended simply to touch on all the steps in the modeling process and to take a new user through the system frommore » start to finish. There are six basic parts to the TSAR package. The first, MGED, is part of the BRL-CAD package and is used to create a solid model. The second part, ANASTASIA, is the program used to sample the solid model and create a finite -- difference mesh. The third program, IMAGE, lets the user view the mesh itself and verify its accuracy. If everything about the mesh is correct, the process continues to the fourth step, SETUP-TSAR, which creates the parameter files for compiling TSAR and the input file for running a particular simulation. The fifth step is actually running TSAR, the field modeling program. Finally, the output from TSAR is placed into SIG, B2RAS or another program for post-processing and plotting. Each of these steps will be described below. The best way to learn to use the TSAR software is to actually create and run a simple test problem. As an example of how to use the TSAR package, let`s create a sphere with a rectangular internal cavity, with conical and cylindrical penetrations connecting the outside to the inside, and find the electric field inside the cavity when the object is exposed to a Gaussian plane wave. We will begin with the solid modeling software, MGED, a part of the BRL-CAD modeling release.« less

Electronic differential for tramcar bogies: system development and performance evaluation by means of numerical simulation

NASA Astrophysics Data System (ADS)

Barbera, Andrea N.; Bucca, Giuseppe; Corradi, Roberto; Facchinetti, Alan; Mapelli, Ferdinando

2014-05-01

The dynamic behaviour of railway vehicles depends on the wheelset configuration, i.e. solid axle wheelset or independently rotating wheels (IRWs). The self-centring behaviour, peculiar of the solid axle wheelset, makes this kind of wheelset very suitable for tangent track running at low speed: the absence of the self-centring mechanism in the IRWs may lead to anomalous wheel/rail wear, reduced vehicle safety and passengers' discomfort. On the contrary, during negotiation of the sharp curves typical of urban tramways, solid axle wheelsets produce lateral contact forces higher than those of IRWs. This paper illustrates an electronic differential system to be applied to tramcar bogies equipped with wheel-hub motors which allows switching from solid axle in tangent track to IRWs in sharp curve (and vice versa). An electro-mechanical vehicle model is adopted for the design of the control system and for the evaluation of the vehicle dynamic performances.

The effects of unit pricing system upon household solid waste management: The Korean experience

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, S.

1999-09-01

Initial effects of adoption of a unit pricing system paired with aggressive recycling programs appear to be substantial. This paper explores the impact of price incentives under the unit pricing system on household solid waste generation and recycling in Korea. The author employs a simultaneous equation model considering the feedback effects between total waste generation and recycling. Estimation results using 3017 Korean household survey data indicate that a rise in waste collection fee induces households to recycle more wastes. However, this effect is partially offset by decreases in source-reduction efforts due to the feedback effects, resulting in relatively lower pricemore » elasticity of demand for solid waste collection services. This implies that household demand for solid waste collection services will not decrease much with additional increases in the collection fee, unless further recycling incentives such as more frequent recyclable pickup services are accompanied.« less

Numerical investigation of solid mixing in a fluidized bed coating process

NASA Astrophysics Data System (ADS)

Kenche, Venkatakrishna; Feng, Yuqing; Ying, Danyang; Solnordal, Chris; Lim, Seng; Witt, Peter J.

2013-06-01

Fluidized beds are widely used in many process industries including the food and pharmaceutical sectors. Despite being an intensive research area, there are no design rules or correlations that can be used to quantitatively predict the solid mixing in a specific system for a given set of operating conditions. This paper presents a numerical study of the gas and solid dynamics in a laboratory scale fluidized bed coating process used for food and pharmaceutical industries. An Eulerian-Eulerian model (EEM) with kinetic theory of granular flow is selected as the modeling technique, with the commercial computational fluid dynamics (CFD) software package ANSYS/Fluent being the numerical platform. The flow structure is investigated in terms of the spatial distribution of gas and solid flow. The solid mixing has been evaluated under different operating conditions. It was found that the solid mixing rate in the horizontal direction is similar to that in the vertical direction under the current design and operating conditions. It takes about 5 s to achieve good mixing.

Pulse Jet Mixing Tests With Noncohesive Solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meyer, Perry A.; Bamberger, Judith A.; Enderlin, Carl W.

2012-02-17

This report summarizes results from pulse jet mixing (PJM) tests with noncohesive solids in Newtonian liquid. The tests were conducted during FY 2007 and 2008 to support the design of mixing systems for the Hanford Waste Treatment and Immobilization Plant (WTP). Tests were conducted at three geometric scales using noncohesive simulants, and the test data were used to develop models predicting two measures of mixing performance for full-scale WTP vessels. The models predict the cloud height (the height to which solids will be lifted by the PJM action) and the critical suspension velocity (the minimum velocity needed to ensure allmore » solids are suspended off the floor, though not fully mixed). From the cloud height, the concentration of solids at the pump inlet can be estimated. The predicted critical suspension velocity for lifting all solids is not precisely the same as the mixing requirement for 'disturbing' a sufficient volume of solids, but the values will be similar and closely related. These predictive models were successfully benchmarked against larger scale tests and compared well with results from computational fluid dynamics simulations. The application of the models to assess mixing in WTP vessels is illustrated in examples for 13 distinct designs and selected operational conditions. The values selected for these examples are not final; thus, the estimates of performance should not be interpreted as final conclusions of design adequacy or inadequacy. However, this work does reveal that several vessels may require adjustments to design, operating features, or waste feed properties to ensure confidence in operation. The models described in this report will prove to be valuable engineering tools to evaluate options as designs are finalized for the WTP. Revision 1 refines data sets used for model development and summarizes models developed since the completion of Revision 0.« less

The representation of manipulable solid objects in a relational database

NASA Technical Reports Server (NTRS)

Bahler, D.

1984-01-01

This project is concerned with the interface between database management and solid geometric modeling. The desirability of integrating computer-aided design, manufacture, testing, and management into a coherent system is by now well recognized. One proposed configuration for such a system uses a relational database management system as the central focus; the various other functions are linked through their use of a common data repesentation in the data manager, rather than communicating pairwise to integrate a geometric modeling capability with a generic relational data managemet system in such a way that well-formed questions can be posed and answered about the performance of the system as a whole. One necessary feature of any such system is simplification for purposes of anaysis; this and system performance considerations meant that a paramount goal therefore was that of unity and simplicity of the data structures used.

Wide-field Imaging System and Rapid Direction of Optical Zoom (WOZ)

DTIC Science & Technology

2010-09-25

commercial software packages: SolidWorks, COMSOL Multiphysics, and ZEMAX optical design. SolidWorks is a computer aided design package, which as a live...interface to COMSOL. COMSOL is a finite element analysis/partial differential equation solver. ZEMAX is an optical design package. Both COMSOL and... ZEMAX have live interfaces to MatLab. Our initial investigations have enabled a model in SolidWorks to be updated in COMSOL, an FEA calculation

Comparative Evaluation of Energy Measurement Models for Transit Systems

DOT National Transportation Integrated Search

1984-02-01

Recent advances in solid state control technology have led to chopper-controlled propulsion systems in urban rail transit applications. Such systems offer the potential for superior train performance through increased train propulsion efficiency and ...

Numerical modelling and experimental study of liquid evaporation during gel formation

NASA Astrophysics Data System (ADS)

Pokusaev, B. G.; Khramtsov, D. P.

2017-11-01

Gels are promising materials in biotechnology and medicine as a medium for storing cells for bioprinting applications. Gel is a two-phase system consisting of solid medium and liquid phase. Understanding of a gel structure evolution and gel aging during liquid evaporation is a crucial step in developing new additive bioprinting technologies. A numerical and experimental study of liquid evaporation was performed. In experimental study an evaporation process of an agarose gel layer located on Petri dish was observed and mass difference was detected using electronic scales. Numerical model was based on a smoothed particle hydrodynamics method. Gel in a model was represented as a solid-liquid system and liquid evaporation was modelled due to capillary forces and heat transfer. Comparison of experimental data and numerical results demonstrated that model can adequately represent evaporation process in agarose gel.

Hydrodynamic study of an internal airlift reactor for microalgae culture.

PubMed

Rengel, Ana; Zoughaib, Assaad; Dron, Dominique; Clodic, Denis

2012-01-01

Internal airlift reactors are closed systems considered today for microalgae cultivation. Several works have studied their hydrodynamics but based on important solid concentrations, not with biomass concentrations usually found in microalgae cultures. In this study, an internal airlift reactor has been built and tested in order to clarify the hydrodynamics of this system, based on microalgae typical concentrations. A model is proposed taking into account the variation of air bubble velocity according to volumetric air flow rate injected into the system. A relationship between riser and downcomer gas holdups is established, which varied slightly with solids concentrations. The repartition of solids along the reactor resulted to be homogenous for the range of concentrations and volumetric air flow rate studied here. Liquid velocities increase with volumetric air flow rate, and they vary slightly when solids are added to the system. Finally, liquid circulation time found in each section of the reactor is in concordance with those employed in microalgae culture.

Thermodynamic analysis of Direct Urea Solid Oxide Fuel Cell in combined heat and power applications

NASA Astrophysics Data System (ADS)

Abraham, F.; Dincer, I.

2015-12-01

This paper presents a comprehensive steady state modelling and thermodynamic analysis of Direct Urea Solid Oxide Fuel Cell integrated with Gas Turbine power cycle (DU-SOFC/GT). The use of urea as direct fuel mitigates public health and safety risks associated with the use of hydrogen and ammonia. The integration scheme in this study covers both oxygen ion-conducting solid oxide fuel cells (SOFC-O) and hydrogen proton-conducting solid oxide fuel cells (SOFC-H). Parametric case studies are carried out to investigate the effects of design and operating parameters on the overall performance of the system. The results reveal that the fuel cell exhibited the highest level of exergy destruction among other system components. Furthermore, the SOFC-O based system offers better overall performance than that with the SOFC-H option mainly due to the detrimental reverse water-gas shift reaction at the SOFC anode as well as the unique configuration of the system.

Tunable solid-state laser technology for applications to scientific and technological experiments from space

NASA Technical Reports Server (NTRS)

Allario, F.; Taylor, L. V.

1986-01-01

Current plans for the Earth Observing System (EOS) include development of a lidar facility to conduct scientific experiments from a polar orbiting platforms. A recommended set of experiments were scoped, which includes techniques of atmospheric backscatter (Lidar), Differential Absorption Lidar (DIAL), altimetry, and retroranging. Preliminary assessments of the resources (power, weight, volume) required by the Eos Lidar Facility were conducted. A research program in tunable solid state laser technology was developed, which includes laser materials development, modeling and experiments on the physics of solid state laser materials, and development of solid state laser transmitters with a strong focus on Eos scientific investigations. Some of the system studies that were conducted which highlight the payoff of solid state laser technology for the Eos scientific investigations will be discussed. Additionally, a summary of some promising research results which have recently emerged from the research program will be presented.

Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - I. A ternary Bragg-Williams ordering model

USGS Publications Warehouse

McSwiggen, P.L.

1993-01-01

The minerals of the ternary carbonate system CaCO3 - MgCO3 - FeCO3 represent a complex series of solid solutions and ordering states. An understanding of those complexities requires a solution model that can both duplicate the subsolidus phase relationships and generate correct values for the activities. Such a solution model must account for the changes in the total energy of the system resulting from a change in the ordering state of the individual constituents. Various ordering models have been applied to binary carbonate systems, but no attempts have previously been made to model the ordering in the ternary system. This study derives a new set of equations that allow for the equilibrium degree of order to be calculated for a system involving three cations mixing on two sites, as in the case of the ternary carbonates. The method is based on the Bragg-Williams approach. From the degree of order, the mole fractions of the three cations in each of the two sites can be determined. Once the site occupancies have been established, a Margules-type mixing model can be used to determine the free energy of mixing in the solid solution and therefore the activities of the various components. ?? 1993 Springer-Verlag.

An energy-economy-environment model for simulating the impacts of socioeconomic development on energy and environment.

PubMed

Wang, Wenyi; Zeng, Weihua; Yao, Bo

2014-01-01

Many rapidly developing regions have begun to draw the attention of the world. Meanwhile, the energy and environmental issues associated with rapid economic growth have aroused widespread critical concern. Therefore, studying energy, economic, and environmental systems is of great importance. This study establishes a system dynamic model that covers multiple aspects of those systems, such as energy, economy, population, water pollution, air pollution, solid waste, and technology. The model designed here attempts to determine the impacts of socioeconomic development on the energy and environment of Tongzhou District in three scenarios: under current, planning, and sustainable conditions. The results reveal that energy shortages and water pollutions are very serious and are the key issues constraining future social and economic development. Solid waste emissions increase with population growth. The prediction results provide valuable insights into social advancement.

Transient combustion in hybrid rockets

NASA Astrophysics Data System (ADS)

Karabeyoglu, Mustafa Arif

1998-09-01

Hybrid rockets regained interest recently as an alternative chemical propulsion system due to their advantages over the solid and liquid systems that are currently in use. Development efforts on hybrids revealed two important problem areas: (1) low frequency instabilities and (2) slow transient response. Both of these are closely related to the transient behavior which is a poorly understood aspect of hybrid operation. This thesis is mainly involved with a theoretical study of transient combustion in hybrid rockets. We follow the methodology of identifying and modeling the subsystems of the motor such as the thermal lags in the solid, boundary layer combustion and chamber gasdynamics from a dynamic point of view. We begin with the thermal lag in the solid which yield the regression rate for any given wall heat flux variation. Interesting phenomena such as overshooting during throttling and the amplification and phase lead regions in the frequency domain are discovered. Later we develop a quasi-steady transient hybrid combustion model supported with time delays for the boundary layer processes. This is integrated with the thermal lag system to obtain the thermal combustion (TC) coupled response. The TC coupled system with positive delays generated low frequency instabilities. The scaling of the instabilities are in good agreement with actual motor test data. Finally, we formulate a gasdynamic model for the hybrid chamber which successfully resolves the filling/emptying and longitudinal acoustic behavior of the motor. The TC coupled system is later integrated to the gasdynamic model to obtain the overall response (TCG coupled system) of gaseous oxidizer motors with stiff feed systems. Low frequency instabilities were also encountered for the TCG coupled system. Apart from the transient investigations, the regression rate behavior of liquefying hybrid propellants such as solid cryogenic materials are also studied. The theory is based on the possibility of enhancement of regression rate by the entrainment mass transfer from a liquid layer formed on the fuel surface. The predicted regression rates are in good agreement with the cryogenic experimental findings obtained recently at Edwards Airforce Base with a frozen pentane and gaseous oxygen system.

Impact of the volume of gaseous phase in closed reactors on ANC results and modelling

NASA Astrophysics Data System (ADS)

Drapeau, Clémentine; Delolme, Cécile; Lassabatere, Laurent; Blanc, Denise

2016-04-01

The understanding of the geochemical behavior of polluted solid materials is often challenging and requires huge expenses of time and money. Nevertheless, given the increasing amounts of polluted solid materials and related risks for the environment, it is more and more crucial to understand the leaching of majors and trace metals elements from these matrices. In the designs of methods to quantify pollutant solubilization, the combination of experimental procedures with modeling approaches has recently gained attention. Among usual methods, some rely on the association of ANC and geochemical modeling. ANC experiments - Acid Neutralization Capacity - consists in adding known quantities of acid or base to a mixture of water and contaminated solid materials at a given liquid / solid ratio in closed reactors. Reactors are agitated for 48h and then pH, conductivity, redox potential, carbon, majors and heavy metal solubilized are quantified. However, in most cases, the amounts of matrix and water do not reach the total volume of reactors, leaving some space for air (gaseous phase). Despite this fact, no clear indication is given in standard procedures about the effect of this gaseous phase. Even worse, the gaseous phase is never accounted for when exploiting or modeling ANC data. The gaseous phase may exchange CO2 with the solution, which may, in turn, impact both pH and element release. This study lies within the most general framework for the use of geochemical modeling for the prediction of ANC results for the case of pure phases to real phase assemblages. In this study, we focus on the effect of the gaseous phase on ANC experiments on different mineral phases through geochemical modeling. To do so, we use PHREEQC code to model the evolution of pH and element release (including majors and heavy metals) when several matrices are put in contact with acid or base. We model the following scenarios for the gaseous phase: no gas, contact with the atmosphere (open system) and real reactors conditions (semi-closed systems). The solid phases tested are pure phases (calcite, sulfides, etc.) and synthetic assemblages mimicking complex polluted matrices. The modeling clearly shows that the systems are sensitive to the opening to the atmosphere. If the open system and the system with no gas are entirely different, "real" reactors also differ significantly from the other systems. Apparently, the presence of the gaseous phase in reactors greatly impacts pH and element release. This parameter should be accounted for in ANC experimental procedures and modeling. In addition to this numerical study, experimental results, previously obtained for urban polluted sediments, are analyzed in lights of the findings of the numerical study. This step allows us to strengthen conclusions and to pinpoint at the necessity to account for the gaseous phase when performing and modeling ANC experiments.

Extending atomistic simulation timescale in solid/liquid systems: crystal growth from solution by a parallel-replica dynamics and continuum hybrid method.

PubMed

Lu, Chun-Yaung; Voter, Arthur F; Perez, Danny

2014-01-28

Deposition of solid material from solution is ubiquitous in nature. However, due to the inherent complexity of such systems, this process is comparatively much less understood than deposition from a gas or vacuum. Further, the accurate atomistic modeling of such systems is computationally expensive, therefore leaving many intriguing long-timescale phenomena out of reach. We present an atomistic/continuum hybrid method for extending the simulation timescales of dynamics at solid/liquid interfaces. We demonstrate the method by simulating the deposition of Ag on Ag (001) from solution with a significant speedup over standard MD. The results reveal specific features of diffusive deposition dynamics, such as a dramatic increase in the roughness of the film.

Nucleation versus percolation: Scaling criterion for failure in disordered solids

NASA Astrophysics Data System (ADS)

Biswas, Soumyajyoti; Roy, Subhadeep; Ray, Purusattam

2015-05-01

One of the major factors governing the mode of failure in disordered solids is the effective range R over which the stress field is modified following a local rupture event. In a random fiber bundle model, considered as a prototype of disordered solids, we show that the failure mode is nucleation dominated in the large system size limit, as long as R scales slower than Lζ, with ζ =2 /3 . For a faster increase in R , the failure properties are dominated by the mean-field critical point, where the damages are uncorrelated in space. In that limit, the precursory avalanches of all sizes are obtained even in the large system size limit. We expect these results to be valid for systems with finite (normalizable) disorder.

A New Model of the Earth System Nitrogen Cycle: How Plates and Life Affect the Atmosphere

NASA Astrophysics Data System (ADS)

Johnson, B. W.; Goldblatt, C.

2017-11-01

We have developed an Earth system N cycle model, including biologic and geologic fluxes and key nutrients such as phosphorus. The atmosphere can change mass significantly over Earth history, and the solid Earth contains most of the planet's N.

Gibbs Energy Modeling of Digenite and Adjacent Solid-State Phases

NASA Astrophysics Data System (ADS)

Waldner, Peter

2017-08-01

All sulfur potential and phase diagram data available in the literature for solid-state equilibria related to digenite have been assessed. Thorough thermodynamic analysis at 1 bar total pressure has been performed. A three-sublattice approach has been developed to model the Gibbs energy of digenite as a function of composition and temperature using the compound energy formalism. The Gibbs energies of the adjacent solid-state phases covelitte and high-temperature chalcocite are also modeled treating both sulfides as stoichiometric compounds. The novel model for digenite offers new interpretation of experimental data, may contribute from a thermodynamic point of view to the elucidation of the role of copper species within the crystal structure and allows extrapolation to composition regimes richer in copper than stoichiometric digenite Cu2S. Preliminary predictions into the ternary Cu-Fe-S system at 1273 K (1000 °C) using the Gibbs energy model of digenite for calculating its iron solubility are promising.

Computation of turbulent reacting flow in a solid-propellant ducted rocket

NASA Astrophysics Data System (ADS)

Chao, Yei-Chin; Chou, Wen-Fuh; Liu, Sheng-Shyang

1995-05-01

A mathematical model for computation of turbulent reacting flows is developed under general curvilinear coordinate systems. An adaptive, streamline grid system is generated to deal with the complex flow structures in a multiple-inlet solid-propellant ducted rocket (SDR) combustor. General tensor representations of the k-epsilon and algebraic stress (ASM) turbulence models are derived in terms of contravariant velocity components, and modification caused by the effects of compressible turbulence is also included in the modeling. The clipped Gaussian probability density function is incorporated in the combustion model to account for fluctuations of properties. Validation of the above modeling is first examined by studying mixing and reacting characteristics in a confined coaxial-jet problem. This is followed by study of nonreacting and reacting SDR combustor flows. The results show that Gibson and Launder's ASM incorporated with Sarkar's modification for compressible turbulence effects based on the general curvilinear coordinate systems yields the most satisfactory prediction for this complicated SDR flowfield.

Computation of turbulent reacting flow in a solid-propellant ducted rocket

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chao, Y.; Chou, W.; Liu, S.

1995-05-01

A mathematical model for computation of turbulent reacting flows is developed under general curvilinear coordinate systems. An adaptive, streamline grid system is generated to deal with the complex flow structures in a multiple-inlet solid-propellant ducted rocket (SDR) combustor. General tensor representations of the k-epsilon and algebraic stress (ASM) turbulence models are derived in terms of contravariant velocity components, and modification caused by the effects of compressible turbulence is also included in the modeling. The clipped Gaussian probability density function is incorporated in the combustion model to account for fluctuations of properties. Validation of the above modeling is first examined bymore » studying mixing and reacting characteristics in a confined coaxial-jet problem. This is followed by study of nonreacting and reacting SDR combustor flows. The results show that Gibson and Launder`s ASM incorporated with Sarkar`s modification for compressible turbulence effects based on the general curvilinear coordinate systems yields the most satisfactory prediction for this complicated SDR flowfield. 36 refs.« less

Simulation technique for slurries interacting with moving parts and deformable solids with applications

NASA Astrophysics Data System (ADS)

Mutabaruka, Patrick; Kamrin, Ken

2018-04-01

A numerical method for particle-laden fluids interacting with a deformable solid domain and mobile rigid parts is proposed and implemented in a full engineering system. The fluid domain is modeled with a lattice Boltzmann representation, the particles and rigid parts are modeled with a discrete element representation, and the deformable solid domain is modeled using a Lagrangian mesh. The main issue of this work, since separately each of these methods is a mature tool, is to develop coupling and model-reduction approaches in order to efficiently simulate coupled problems of this nature, as in various geological and engineering applications. The lattice Boltzmann method incorporates a large eddy simulation technique using the Smagorinsky turbulence model. The discrete element method incorporates spherical and polyhedral particles for stiff contact interactions. A neo-Hookean hyperelastic model is used for the deformable solid. We provide a detailed description of how to couple the three solvers within a unified algorithm. The technique we propose for rubber modeling/coupling exploits a simplification that prevents having to solve a finite-element problem at each time step. We also developed a technique to reduce the domain size of the full system by replacing certain zones with quasi-analytic solutions, which act as effective boundary conditions for the lattice Boltzmann method. The major ingredients of the routine are separately validated. To demonstrate the coupled method in full, we simulate slurry flows in two kinds of piston valve geometries. The dynamics of the valve and slurry are studied and reported over a large range of input parameters.

From in silica to in silico: retention thermodynamics at solid-liquid interfaces.

PubMed

El Hage, Krystel; Bemish, Raymond J; Meuwly, Markus

2018-06-28

The dynamics of solvated molecules at the solid/liquid interface is essential for a molecular-level understanding for the solution thermodynamics in reversed phase liquid chromatography (RPLC). The heterogeneous nature of the systems and the competing intermolecular interactions makes solute retention in RPLC a surprisingly challenging problem which benefits greatly from modelling at atomistic resolution. However, the quality of the underlying computational model needs to be sufficiently accurate to provide a realistic description of the energetics and dynamics of systems, especially for solution-phase simulations. Here, the retention thermodynamics and the retention mechanism of a range of benzene-derivatives in C18 stationary-phase chains in contact with water/methanol mixtures is studied using point charge (PC) and multipole (MTP) electrostatic models. The results demonstrate that free energy simulations with a faithful MTP representation of the computational model provide quantitative and molecular level insight into the thermodynamics of adsorption/desorption in chromatographic systems while a conventional PC representation fails in doing so. This provides a rational basis to develop more quantitative and validated models for the optimization of separation systems.

Application of the Flory-Huggins theory to the solubility of solids in glyceryl trioleate

USGS Publications Warehouse

Chiou, Cary T.; Manes, Milton

1986-01-01

The conventional thermodynamic deviation for ideal solid–liquid solubilities is modified by substituting the Flory–Huggins model for Raoult's law. A comparison of published data for eleven solides in glyceryl trioleate with the predictions of the conventional and modified equations shows that the significantly higher athermal solubilities from the modified equation are in much better agreement with the experimental data. This suggests that discrepancies between the data and the predictions of the conventional model for ideal systems result from the inappropriate use of Raoult's law for systems with significant solute–solvent size disparity rather than from specific interactions.

Multilevel perspective on high-order harmonic generation in solids

NASA Astrophysics Data System (ADS)

Wu, Mengxi; Browne, Dana A.; Schafer, Kenneth J.; Gaarde, Mette B.

2016-12-01

We investigate high-order harmonic generation in a solid, modeled as a multilevel system dressed by a strong infrared laser field. We show that the cutoff energies and the relative strengths of the multiple plateaus that emerge in the harmonic spectrum can be understood both qualitatively and quantitatively by considering a combination of adiabatic and diabatic processes driven by the strong field. Such a model was recently used to interpret the multiple plateaus exhibited in harmonic spectra generated by solid argon and krypton [G. Ndabashimiye et al., Nature 534, 520 (2016), 10.1038/nature17660]. We also show that when the multilevel system originates from the Bloch state at the Γ point of the band structure, the laser-dressed states are equivalent to the Houston states [J. B. Krieger and G. J. Iafrate, Phys. Rev. B 33, 5494 (1986), 10.1103/PhysRevB.33.5494] and will therefore map out the band structure away from the Γ point as the laser field increases. This leads to a semiclassical three-step picture in momentum space that describes the high-order harmonic generation process in a solid.

Proceedings of Shuttle Environmental Effects Program Review. [conferences

NASA Technical Reports Server (NTRS)

Potter, A. E. (Editor)

1980-01-01

Measurements of Titan exhaust cloud effluents are documented and compared, mesoscale and microphysical acid rain models are described, and a submesoscale model is proposed. Various instruments and facilities for measuring ice nuclei and other constituents of solid rocket motor exhaust effluents are discussed. Regional air quality monitoring and rain collection systems are described, and the ecological impact of solid rocket motor exhaust effluents is examined. The potential effect of space shuttle launches is estimated where data are adequate.

Parametric Study of Radiative Cooling of Solid Antihydrogen

DTIC Science & Technology

1989-03-01

knowledge of things academic and otherwise. 0 Abstract - .. . / ’A computer model of a cryogenic system for storing solid antimatter is used to explore the...radiative cooling-power requirements for long-term antimatter storage. If vacuum-chamber pressures as low as 1 torr can be reached, and the rest of the...large set of assumptions is valid, milligram quantities of solid antimatter could be stored indefinitely at 1.5 K using cooling powers of less than a

Waste tyre pyrolysis: modelling of a moving bed reactor.

PubMed

Aylón, E; Fernández-Colino, A; Murillo, R; Grasa, G; Navarro, M V; García, T; Mastral, A M

2010-12-01

This paper describes the development of a new model for waste tyre pyrolysis in a moving bed reactor. This model comprises three different sub-models: a kinetic sub-model that predicts solid conversion in terms of reaction time and temperature, a heat transfer sub-model that calculates the temperature profile inside the particle and the energy flux from the surroundings to the tyre particles and, finally, a hydrodynamic model that predicts the solid flow pattern inside the reactor. These three sub-models have been integrated in order to develop a comprehensive reactor model. Experimental results were obtained in a continuous moving bed reactor and used to validate model predictions, with good approximation achieved between the experimental and simulated results. In addition, a parametric study of the model was carried out, which showed that tyre particle heating is clearly faster than average particle residence time inside the reactor. Therefore, this fast particle heating together with fast reaction kinetics enables total solid conversion to be achieved in this system in accordance with the predictive model. Copyright © 2010 Elsevier Ltd. All rights reserved.

Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

DePaolo, D. J.; Orr, F. M.; Benson, S. M.

2007-06-01

To identify research areas in geosciences, such as behavior of multiphase fluid-solid systems on a variety of scales, chemical migration processes in geologic media, characterization of geologic systems, and modeling and simulation of geologic systems, needed for improved energy systems.

DEMONSTRATION BULLETIN: X*TRAX MODEL 200 THERMAL DESORPTION SYSTEMS - CHEMICAL WASTE MANAGEMENT, INC.

EPA Science Inventory

The X*TRAX™ Mode! 200 Thermal Desorption System developed by Chemical Waste Management, Inc. (CWM), is a low-temperature process designed to separate organic contaminants from soils, sludges, and other solid media. The X*TRAX™ Model 200 is fully transportable and consists of thre...

Analysis and optimization of solid oxide fuel cell-based auxiliary power units using a generic zero-dimensional fuel cell model

NASA Astrophysics Data System (ADS)

Göll, S.; Samsun, R. C.; Peters, R.

Fuel-cell-based auxiliary power units can help to reduce fuel consumption and emissions in transportation. For this application, the combination of solid oxide fuel cells (SOFCs) with upstream fuel processing by autothermal reforming (ATR) is seen as a highly favorable configuration. Notwithstanding the necessity to improve each single component, an optimized architecture of the fuel cell system as a whole must be achieved. To enable model-based analyses, a system-level approach is proposed in which the fuel cell system is modeled as a multi-stage thermo-chemical process using the "flowsheeting" environment PRO/II™. Therein, the SOFC stack and the ATR are characterized entirely by corresponding thermodynamic processes together with global performance parameters. The developed model is then used to achieve an optimal system layout by comparing different system architectures. A system with anode and cathode off-gas recycling was identified to have the highest electric system efficiency. Taking this system as a basis, the potential for further performance enhancement was evaluated by varying four parameters characterizing different system components. Using methods from the design and analysis of experiments, the effects of these parameters and of their interactions were quantified, leading to an overall optimized system with encouraging performance data.

A Theoretical Solid Oxide Fuel Cell Model for System Controls and Stability Design

NASA Technical Reports Server (NTRS)

Kopasakis, George; Brinson, Thomas; Credle, Sydni; Xu, Ming

2006-01-01

As the aviation industry moves towards higher efficiency electrical power generation, all electric aircraft, or zero emissions and more quiet aircraft, fuel cells are sought as the technology that can deliver on these high expectations. The Hybrid Solid Oxide Fuel Cell system combines the fuel cell with a microturbine to obtain up to 70 percent cycle efficiency, and then distributes the electrical power to the loads via a power distribution system. The challenge is to understand the dynamics of this complex multi-discipline system, and design distributed controls that take the system through its operating conditions in a stable and safe manner while maintaining the system performance. This particular system is a power generation and distribution system and the fuel cell and microturbine model fidelity should be compatible with the dynamics of the power distribution system in order to allow proper stability and distributed controls design. A novel modeling approach is proposed for the fuel cell that will allow the fuel cell and the power system to be integrated and designed for stability, distributed controls, and other interface specifications. This investigation shows that for the fuel cell, the voltage characteristic should be modeled, but in addition, conservation equation dynamics, ion diffusion, charge transfer kinetics, and the electron flow inherent impedance should also be included.

Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ardham, Vikram Reddy; Leroy, Frédéric, E-mail: vandervegt@csi.tu-darmstadt.de, E-mail: f.leroy@theo.chemie.tu-darmstadt.de; Deichmann, Gregor

We address the question of how reducing the number of degrees of freedom modifies the interfacial thermodynamic properties of heterogeneous solid-liquid systems. We consider the example of n-hexane interacting with multi-layer graphene which we model both with fully atomistic and coarse-grained (CG) models. The CG models are obtained by means of the conditional reversible work (CRW) method. The interfacial thermodynamics of these models is characterized by the solid-liquid work of adhesion W{sub SL} calculated by means of the dry-surface methodology through molecular dynamics simulations. We find that the CRW potentials lead to values of W{sub SL} that are larger thanmore » the atomistic ones. Clear understanding of the relationship between the structure of n-hexane in the vicinity of the surface and W{sub SL} is elucidated through a detailed study of the energy and entropy components of W{sub SL}. We highlight the crucial role played by the solid-liquid energy fluctuations. Our approach suggests that CG potentials should be designed in such a way that they preserve the range of solid-liquid interaction energies, but also their fluctuations in order to preserve the reference atomistic value of W{sub SL}. Our study thus opens perspectives into deriving CG interaction potentials that preserve the thermodynamics of solid-liquid contacts and will find application in studies that intend to address materials driven by interfaces.« less

Formulation and validation of a computational model for a dilute biomass slurry undergoing rotational mixing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprague, Michael A.; Stickel, Jonathan J.; Sitaraman, Hariswaran

In this paper we develop a computational model for the mixing and transport of a dilute biomass slurry. The objective was to create a sufficiently simple and efficient model for biomass transport that can be coupled with reaction models for the study of conversion of cellulosic biomass into fermentable sugars. Our target system is 5%-by-mass ..alpha..-cellulose, which is our proxy for more complex lignocellulosic biomass. In the authors' previous work, an experimental investigation with ..alpha..-cellulose under two vane-mixer configurations showed a bifurcation between a settling regime, for which settling effects dominate, and a suspended regime, for which solids are mostlymore » suspended. Here, a mixed-fluid model was chosen, for which the model for the mixture-velocity field is the incompressible Navier-Stokes equations under the Boussinesq approximation for buoyancy. Solids transport includes solids motion due to diffusion, settling, advection, and shear. Comparison of simulated and experimental results show good agreement in the suspended regime, and in capturing the bifurcation rate. While the model captured well the distribution of solids in the settling regime, the model was incapable of capturing the high torque values seen in experiments with vanishing mixer rotation rate.« less

Formulation and validation of a computational model for a dilute biomass slurry undergoing rotational mixing

DOE PAGES

Sprague, Michael A.; Stickel, Jonathan J.; Sitaraman, Hariswaran; ...

2018-02-17

In this paper we develop a computational model for the mixing and transport of a dilute biomass slurry. The objective was to create a sufficiently simple and efficient model for biomass transport that can be coupled with reaction models for the study of conversion of cellulosic biomass into fermentable sugars. Our target system is 5%-by-mass ..alpha..-cellulose, which is our proxy for more complex lignocellulosic biomass. In the authors' previous work, an experimental investigation with ..alpha..-cellulose under two vane-mixer configurations showed a bifurcation between a settling regime, for which settling effects dominate, and a suspended regime, for which solids are mostlymore » suspended. Here, a mixed-fluid model was chosen, for which the model for the mixture-velocity field is the incompressible Navier-Stokes equations under the Boussinesq approximation for buoyancy. Solids transport includes solids motion due to diffusion, settling, advection, and shear. Comparison of simulated and experimental results show good agreement in the suspended regime, and in capturing the bifurcation rate. While the model captured well the distribution of solids in the settling regime, the model was incapable of capturing the high torque values seen in experiments with vanishing mixer rotation rate.« less

An Energy-Economy-Environment Model for Simulating the Impacts of Socioeconomic Development on Energy and Environment

PubMed Central

Yao, Bo

2014-01-01

Many rapidly developing regions have begun to draw the attention of the world. Meanwhile, the energy and environmental issues associated with rapid economic growth have aroused widespread critical concern. Therefore, studying energy, economic, and environmental systems is of great importance. This study establishes a system dynamic model that covers multiple aspects of those systems, such as energy, economy, population, water pollution, air pollution, solid waste, and technology. The model designed here attempts to determine the impacts of socioeconomic development on the energy and environment of Tongzhou District in three scenarios: under current, planning, and sustainable conditions. The results reveal that energy shortages and water pollutions are very serious and are the key issues constraining future social and economic development. Solid waste emissions increase with population growth. The prediction results provide valuable insights into social advancement. PMID:24683332

Pick-off annihilation of positronium in matter using full correlation single particle potentials: solid He.

PubMed

Zubiaga, A; Tuomisto, F; Puska, M J

2015-01-29

We investigate the modeling of positronium (Ps) states and their pick-off annihilation trapped at open volumes pockets in condensed molecular matter. Our starting point is the interacting many-body system of Ps and a He atom because it is the smallest entity that can mimic the energy gap between the highest occupied and lowest unoccupied molecular orbitals of molecules, and yet the many-body structure of the HePs system can be calculated accurately enough. The exact-diagonalization solution of the HePs system enables us to construct a pairwise full-correlation single-particle potential for the Ps-He interaction, and the total potential in solids is obtained as a superposition of the pairwise potentials. We study in detail Ps states and their pick-off annihilation rates in voids inside solid He and analyze experimental results for Ps-induced voids in liquid He obtaining the radii of the voids. More importantly, we generalize our conclusions by testing the validity of the Tao-Eldrup model, widely used to analyze ortho-Ps annihilation measurements for voids in molecular matter, against our theoretical results for the solid He. Moreover, we discuss the influence of the partial charges of polar molecules and the strength of the van der Waals interaction on the pick-off annihilation rate.

Environmental performance evaluation of large-scale municipal solid waste incinerators using data envelopment analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, H.-W.; Chang, N.-B., E-mail: nchang@mail.ucf.ed; Chen, J.-C.

2010-07-15

Limited to insufficient land resources, incinerators are considered in many countries such as Japan and Germany as the major technology for a waste management scheme capable of dealing with the increasing demand for municipal and industrial solid waste treatment in urban regions. The evaluation of these municipal incinerators in terms of secondary pollution potential, cost-effectiveness, and operational efficiency has become a new focus in the highly interdisciplinary area of production economics, systems analysis, and waste management. This paper aims to demonstrate the application of data envelopment analysis (DEA) - a production economics tool - to evaluate performance-based efficiencies of 19more » large-scale municipal incinerators in Taiwan with different operational conditions. A 4-year operational data set from 2002 to 2005 was collected in support of DEA modeling using Monte Carlo simulation to outline the possibility distributions of operational efficiency of these incinerators. Uncertainty analysis using the Monte Carlo simulation provides a balance between simplifications of our analysis and the soundness of capturing the essential random features that complicate solid waste management systems. To cope with future challenges, efforts in the DEA modeling, systems analysis, and prediction of the performance of large-scale municipal solid waste incinerators under normal operation and special conditions were directed toward generating a compromised assessment procedure. Our research findings will eventually lead to the identification of the optimal management strategies for promoting the quality of solid waste incineration, not only in Taiwan, but also elsewhere in the world.« less

Further analytical study of hybrid rocket combustion

NASA Technical Reports Server (NTRS)

Hung, W. S. Y.; Chen, C. S.; Haviland, J. K.

1972-01-01

Analytical studies of the transient and steady-state combustion processes in a hybrid rocket system are discussed. The particular system chosen consists of a gaseous oxidizer flowing within a tube of solid fuel, resulting in a heterogeneous combustion. Finite rate chemical kinetics with appropriate reaction mechanisms were incorporated in the model. A temperature dependent Arrhenius type fuel surface regression rate equation was chosen for the current study. The governing mathematical equations employed for the reacting gas phase and for the solid phase are the general, two-dimensional, time-dependent conservation equations in a cylindrical coordinate system. Keeping the simplifying assumptions to a minimum, these basic equations were programmed for numerical computation, using two implicit finite-difference schemes, the Lax-Wendroff scheme for the gas phase, and, the Crank-Nicolson scheme for the solid phase.

The iron-nickel-phosphorus system: Effects on the distribution of trace elements during the evolution of iron meteorites

NASA Astrophysics Data System (ADS)

Corrigan, Catherine M.; Chabot, Nancy L.; McCoy, Timothy J.; McDonough, William F.; Watson, Heather C.; Saslow, Sarah A.; Ash, Richard D.

2009-05-01

To better understand the partitioning behavior of elements during the formation and evolution of iron meteorites, two sets of experiments were conducted at 1 atm in the Fe-Ni-P system. The first set examined the effect of P on solid metal/liquid metal partitioning behavior of 22 elements, while the other set explored the effect of the crystal structures of body-centered cubic (α)- and face-centered cubic (γ)-solid Fe alloys on partitioning behavior. Overall, the effect of P on the partition coefficients for the majority of the elements was minimal. As, Au, Ga, Ge, Ir, Os, Pt, Re, and Sb showed slightly increasing partition coefficients with increasing P-content of the metallic liquid. Co, Cu, Pd, and Sn showed constant partition coefficients. Rh, Ru, W, and Mo showed phosphorophile (P-loving) tendencies. Parameterization models were applied to solid metal/liquid metal results for 12 elements. As, Au, Pt, and Re failed to match previous parameterization models, requiring the determination of separate parameters for the Fe-Ni-S and Fe-Ni-P systems. Experiments with coexisting α and γ Fe alloy solids produced partitioning ratios close to unity, indicating that an α versus γ Fe alloy crystal structure has only a minor influence on the partitioning behaviors of the trace element studied. A simple relationship between an element's natural crystal structure and its α/γ partitioning ratio was not observed. If an iron meteorite crystallizes from a single metallic liquid that contains both S and P, the effect of P on the distribution of elements between the crystallizing solids and the residual liquid will be minor in comparison to the effect of S. This indicates that to a first order, fractional crystallization models of the Fe-Ni-S-P system that do not take into account P are appropriate for interpreting the evolution of iron meteorites if the effects of S are appropriately included in the effort.

Combustion characteristics and turbulence modeling of swirling reacting flow in solid fuel ramjet

NASA Astrophysics Data System (ADS)

Musa, Omer; Xiong, Chen; Changsheng, Zhou

2017-10-01

This paper reviews the historical studies have been done on the solid-fuel ramjet engine and difficulties associated with numerical modeling of swirling flow with combustible gases. A literature survey about works related to numerical and experimental investigations on solid-fuel ramjet as well as using swirling flow and different numerical approaches has been provided. An overview of turbulence modeling of swirling flow and the behavior of turbulence at streamline curvature and system rotation are presented. A new and simple curvature/correction factor is proposed in order to reduce the programming complexity of SST-CC turbulence model. Finally, numerical and experimental investigations on the impact of swirling flow on SFRJ have been carried out. For that regard, a multi-physics coupling code is developed to solve the problems of multi-physics coupling of fluid mechanics, solid pyrolysis, heat transfer, thermodynamics, and chemical kinetics. The connected-pipe test facility is used to carry out the experiments. The results showed a positive impact of swirling flow on SFRJ along with, three correlations are proposed.

Modeling an in-register, parallel "iowa" aβ fibril structure using solid-state NMR data from labeled samples with rosetta.

PubMed

Sgourakis, Nikolaos G; Yau, Wai-Ming; Qiang, Wei

2015-01-06

Determining the structures of amyloid fibrils is an important first step toward understanding the molecular basis of neurodegenerative diseases. For β-amyloid (Aβ) fibrils, conventional solid-state NMR structure determination using uniform labeling is limited by extensive peak overlap. We describe the characterization of a distinct structural polymorph of Aβ using solid-state NMR, transmission electron microscopy (TEM), and Rosetta model building. First, the overall fibril arrangement is established using mass-per-length measurements from TEM. Then, the fibril backbone arrangement, stacking registry, and "steric zipper" core interactions are determined using a number of solid-state NMR techniques on sparsely (13)C-labeled samples. Finally, we perform Rosetta structure calculations with an explicitly symmetric representation of the system. We demonstrate the power of the hybrid Rosetta/NMR approach by modeling the in-register, parallel "Iowa" mutant (D23N) at high resolution (1.2Å backbone rmsd). The final models are validated using an independent set of NMR experiments that confirm key features. Copyright © 2015 Elsevier Ltd. All rights reserved.

Research challenges in municipal solid waste logistics management.

PubMed

Bing, Xiaoyun; Bloemhof, Jacqueline M; Ramos, Tania Rodrigues Pereira; Barbosa-Povoa, Ana Paula; Wong, Chee Yew; van der Vorst, Jack G A J

2016-02-01

During the last two decades, EU legislation has put increasing pressure on member countries to achieve specified recycling targets for municipal household waste. These targets can be obtained in various ways choosing collection methods, separation methods, decentral or central logistic systems, etc. This paper compares municipal solid waste (MSW) management practices in various EU countries to identify the characteristics and key issues from a waste management and reverse logistics point of view. Further, we investigate literature on modelling municipal solid waste logistics in general. Comparing issues addressed in literature with the identified issues in practice result in a research agenda for modelling municipal solid waste logistics in Europe. We conclude that waste recycling is a multi-disciplinary problem that needs to be considered at different decision levels simultaneously. A holistic view and taking into account the characteristics of different waste types are necessary when modelling a reverse supply chain for MSW recycling. Copyright © 2015 Elsevier Ltd. All rights reserved.

[Determination of process variable pH in solid-state fermentation by FT-NIR spectroscopy and extreme learning machine (ELM)].

PubMed

Liu, Guo-hai; Jiang, Hui; Xiao, Xia-hong; Zhang, Dong-juan; Mei, Cong-li; Ding, Yu-han

2012-04-01

Fourier transform near-infrared (FT-NIR) spectroscopy was attempted to determine pH, which is one of the key process parameters in solid-state fermentation of crop straws. First, near infrared spectra of 140 solid-state fermented product samples were obtained by near infrared spectroscopy system in the wavelength range of 10 000-4 000 cm(-1), and then the reference measurement results of pH were achieved by pH meter. Thereafter, the extreme learning machine (ELM) was employed to calibrate model. In the calibration model, the optimal number of PCs and the optimal number of hidden-layer nodes of ELM network were determined by the cross-validation. Experimental results showed that the optimal ELM model was achieved with 1040-1 topology construction as follows: R(p) = 0.961 8 and RMSEP = 0.104 4 in the prediction set. The research achievement could provide technological basis for the on-line measurement of the process parameters in solid-state fermentation.

Probabilistic risk assessment of the Space Shuttle. Phase 3: A study of the potential of losing the vehicle during nominal operation. Volume 4: System models and data analysis

NASA Technical Reports Server (NTRS)

Fragola, Joseph R.; Maggio, Gaspare; Frank, Michael V.; Gerez, Luis; Mcfadden, Richard H.; Collins, Erin P.; Ballesio, Jorge; Appignani, Peter L.; Karns, James J.

1995-01-01

In this volume, volume 4 (of five volumes), the discussion is focussed on the system models and related data references and has the following subsections: space shuttle main engine, integrated solid rocket booster, orbiter auxiliary power units/hydraulics, and electrical power system.

Generalized gas-solid adsorption modeling: Single-component equilibria

DOE PAGES

Ladshaw, Austin; Yiacoumi, Sotira; Tsouris, Costas; ...

2015-01-07

Over the last several decades, modeling of gas–solid adsorption at equilibrium has generally been accomplished through the use of isotherms such as the Freundlich, Langmuir, Tóth, and other similar models. While these models are relatively easy to adapt for describing experimental data, their simplicity limits their generality to be used with many different sets of data. This limitation forces engineers and scientists to test each different model in order to evaluate which one can best describe their data. Additionally, the parameters of these models all have a different physical interpretation, which may have an effect on how they can bemore » further extended into kinetic, thermodynamic, and/or mass transfer models for engineering applications. Therefore, it is paramount to adopt not only a more general isotherm model, but also a concise methodology to reliably optimize for and obtain the parameters of that model. A model of particular interest is the Generalized Statistical Thermodynamic Adsorption (GSTA) isotherm. The GSTA isotherm has enormous flexibility, which could potentially be used to describe a variety of different adsorption systems, but utilizing this model can be fairly difficult due to that flexibility. To circumvent this complication, a comprehensive methodology and computer code has been developed that can perform a full equilibrium analysis of adsorption data for any gas-solid system using the GSTA model. The code has been developed in C/C++ and utilizes a Levenberg–Marquardt’s algorithm to handle the non-linear optimization of the model parameters. Since the GSTA model has an adjustable number of parameters, the code iteratively goes through all number of plausible parameters for each data set and then returns the best solution based on a set of scrutiny criteria. Data sets at different temperatures are analyzed serially and then linear correlations with temperature are made for the parameters of the model. The end result is a full set of optimal GSTA parameters, both dimensional and non-dimensional, as well as the corresponding thermodynamic parameters necessary to predict the behavior of the system at temperatures for which data were not available. It will be shown that this code, utilizing the GSTA model, was able to describe a wide variety of gas-solid adsorption systems at equilibrium.In addition, a physical interpretation of these results will be provided, as well as an alternate derivation of the GSTA model, which intends to reaffirm the physical meaning.« less

Effects of Noise and Vibration on the Solid to Liquid Fluidization Transition in Small Dense Granular Systems Under Shear

NASA Astrophysics Data System (ADS)

Melhus, Martin Frederic

2011-07-01

Granular materials exhibit bulk properties that are distinct from conventional solids, liq- uids, and gases, due to the dissipative nature of the inter-granular forces. Understanding the fundamentals of granular materials draws upon and gives insight into many fields at the current frontiers of physics, such as plasticity of solids, fracture and friction, com- plex systems such as colloids, foams and suspensions, and a variety of biological systems. Particulate flows are widespread in geophysics, and are also essential to many industries. Despite the importance of these phenomena, we lack a theoretical model that explains most behaviors of granular materials. Since granular assemblies are highly dissipative, they are often far from mechanical equilibrium, making most classical analyses inappli- cable. A theory for dilute granular systems exists, but for dense granular systems (by far the majority of granular systems in the real world) no comparable theory is accepted. We approach this problem by examining the fluidization, or transition from solid to liquid, in dense granular systems. In this study, the separate effects of random noise and vibration on the static to flowing transition of a dense granular assembly under planar shear is studied numerically using soft contact particle dynamics simulations in two dimensions. We focus on small systems in a thin planar Couette cell, examining the bistable region while increasing shear, with varying amounts of random noise or vibration, and determine the statistics of the shear required for the onset of flow. We find that the applied power is the key parameter in determining the magnitude of the effects of the noise or vibration, with vibration frequency also having an influence. Similarities and differences between noise and vibration are determined, and the results compare favorably with a two phase model for dense granular flow.

Anaerobic Digestion Model No. 1 Simulation of High Solids Anaerobic Digestion with Feasibility Study for El Gabal El Asfar Water Resource Recovery Facility.

PubMed

Aboulfotoh, Ahmed M

2018-03-01

  Performance of continuous mesophilic high solids anaerobic digestion (HSAD) was simulated using Anaerobic Digestion Model No. 1 (ADM1), under different conditions (solids concentrations, sludge retention time (SRT), organic loading rate (OLR), and type of sludge). Implementation of ADM1, using the proposed biochemical parameters, proved to be a useful tool for the prediction and control of HSAD as the model predicted the behavior of the tested sets of data with considerable accuracy, especially for SRT more than 13 days. The model was then used to investigate the possibility of changing the existing conventional anaerobic digestion (CAD) units in Gabal El Asfar water resource recovery facility into HSAD, instead of establishing new CAD units, and results show that the system will be feasible. HSAD will produce the same bioenergy combined with a decrease in capital, operational, and maintenance costs.

Modelling solid solutions with cluster expansion, special quasirandom structures, and thermodynamic approaches

NASA Astrophysics Data System (ADS)

Saltas, V.; Horlait, D.; Sgourou, E. N.; Vallianatos, F.; Chroneos, A.

2017-12-01

Modelling solid solutions is fundamental in understanding the properties of numerous materials which are important for a range of applications in various fields including nanoelectronics and energy materials such as fuel cells, nuclear materials, and batteries, as the systematic understanding throughout the composition range of solid solutions for a range of conditions can be challenging from an experimental viewpoint. The main motivation of this review is to contribute to the discussion in the community of the applicability of methods that constitute the investigation of solid solutions computationally tractable. This is important as computational modelling is required to calculate numerous defect properties and to act synergistically with experiment to understand these materials. This review will examine in detail two examples: silicon germanium alloys and MAX phase solid solutions. Silicon germanium alloys are technologically important in nanoelectronic devices and are also relevant considering the recent advances in ternary and quaternary groups IV and III-V semiconductor alloys. MAX phase solid solutions display a palette of ceramic and metallic properties and it is anticipated that via their tuning they can have applications ranging from nuclear to aerospace industries as well as being precursors for particular MXenes. In the final part, a brief summary assesses the limitations and possibilities of the methodologies discussed, whereas there is discussion on the future directions and examples of solid solution systems that should prove fruitful to consider.

HYDROLOGY AND SEDIMENT MODELING USING THE BASINS NON-POINT SOURCE MODEL

EPA Science Inventory

The Non-Point Source Model (Hydrologic Simulation Program-Fortran, or HSPF) within the EPA Office of Water's BASINS watershed modeling system was used to simulate streamflow and total suspended solids within Contentnea Creek, North Carolina, which is a tributary of the Neuse Rive...

Solid object visualization of 3D ultrasound data

NASA Astrophysics Data System (ADS)

Nelson, Thomas R.; Bailey, Michael J.

2000-04-01

Visualization of volumetric medical data is challenging. Rapid-prototyping (RP) equipment producing solid object prototype models of computer generated structures is directly applicable to visualization of medical anatomic data. The purpose of this study was to develop methods for transferring 3D Ultrasound (3DUS) data to RP equipment for visualization of patient anatomy. 3DUS data were acquired using research and clinical scanning systems. Scaling information was preserved and the data were segmented using threshold and local operators to extract features of interest, converted from voxel raster coordinate format to a set of polygons representing an iso-surface and transferred to the RP machine to create a solid 3D object. Fabrication required 30 to 60 minutes depending on object size and complexity. After creation the model could be touched and viewed. A '3D visualization hardcopy device' has advantages for conveying spatial relations compared to visualization using computer display systems. The hardcopy model may be used for teaching or therapy planning. Objects may be produced at the exact dimension of the original object or scaled up (or down) to facilitate matching the viewers reference frame more optimally. RP models represent a useful means of communicating important information in a tangible fashion to patients and physicians.

Multi-phase CFD modeling of solid sorbent carbon capture system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryan, E. M.; DeCroix, D.; Breault, R.

2013-07-01

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian–Eulerian and Eulerian–Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capturemore » reactors. The results of the simulations show that the FLUENT® Eulerian–Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian–Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian–Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.« less

Multi-Phase CFD Modeling of Solid Sorbent Carbon Capture System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryan, Emily M.; DeCroix, David; Breault, Ronald W.

2013-07-30

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian-Eulerian and Eulerian-Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capturemore » reactors. The results of the simulations show that the FLUENT® Eulerian-Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian-Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian-Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.« less

EGFR gene overexpression retained in an invasive xenograft model by solid orthotopic transplantation of human glioblastoma multiforme into nude mice.

PubMed

Yi, Diao; Hua, Tian Xin; Lin, Huang Yan

2011-03-01

Orthotopic xenograft animal model from human glioblastoma multiforme (GBM) cell lines often do not recapitulate an extremely important aspect of invasive growth and epidermal growth factor receptor (EGFR) gene overexpression of human GBM. We developed an orthotopic xenograft model by solid transplantation of human GBM into the brain of nude mouse. The orthotopic xenografts sharing the same histopathological features with their original human GBMs were highly invasive and retained the overexpression of EGFR gene. The murine orthotopic GBM models constitute a valuable in vivo system for preclinical studies to test novel therapies for human GBM.

Thermofluid Modeling of Fuel Cells

NASA Astrophysics Data System (ADS)

Young, John B.

2007-01-01

Fuel cells offer the prospect of silent electrical power generation at high efficiency with near-zero pollutant emission. Many materials and fabrication problems have now been solved and attention has shifted toward system modeling, including the fluid flows that supply the cells with hydrogen and oxygen. This review describes the current thermofluid modeling capabilities for proton exchange membrane fuel cells (PEMFCs) and solid oxide fuel cells (SOFCs), the most promising candidates for commercial exploitation. Topics covered include basic operating principles and stack design, convective-diffusive flow in porous solids, special modeling issues for PEMFCs and SOFCs, and the use of computational fluid dynamics (CFD) methods.

Fischer-Tropsch Slurry Reactor modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soong, Y.; Gamwo, I.K.; Harke, F.W.

1995-12-31

This paper reports experimental and theoretical results on hydrodynamic studies. The experiments were conducted in a hot-pressurized Slurry-Bubble Column Reactor (SBCR). It includes experimental results of Drakeol-10 oil/nitrogen/glass beads hydrodynamic study and the development of an ultrasonic technique for measuring solids concentration. A model to describe the flow behavior in reactors was developed. The hydrodynamic properties in a 10.16 cm diameter bubble column with a perforated-plate gas distributor were studied at pressures ranging from 0.1 to 1.36 MPa, and at temperatures from 20 to 200{degrees}C, using a dual hot-wire probe with nitrogen, glass beads, and Drakeol-10 oil as the gas,more » solid, and liquid phase, respectively. It was found that the addition of 20 oil wt% glass beads in the system has a slight effect on the average gas holdup and bubble size. A well-posed three-dimensional model for bed dynamics was developed from an ill-posed model. The new model has computed solid holdup distributions consistent with experimental observations with no artificial {open_quotes}fountain{close_quotes} as predicted by the earlier model. The model can be applied to a variety of multiphase flows of practical interest. An ultrasonic technique is being developed to measure solids concentration in a three-phase slurry reactor. Preliminary measurements have been made on slurries consisting of molten paraffin wax, glass beads, and nitrogen bubbles at 180 {degrees}C and 0.1 MPa. The data show that both the sound speed and attenuation are well-defined functions of both the solid and gas concentrations in the slurries. The results suggest possibilities to directly measure solids concentration during the operation of an autoclave reactor containing molten wax.« less

Edge-defined film-fed growth of thin silicon sheets

NASA Technical Reports Server (NTRS)

Ettouney, H. M.; Kalejs, J. P.

1984-01-01

Finite element analysis was used on two length scales to understand crystal growth of thin silicon sheets. Thermal-capillary models of entire ribbon growth systems were developed. Microscopic modeling of morphological structure of melt/solid interfaces beyond the point of linear instability was carried out. The application to silicon system is discussed.

Thermodynamic Model Formulations for Inhomogeneous Solids with Application to Non-isothermal Phase Field Modelling

NASA Astrophysics Data System (ADS)

Gladkov, Svyatoslav; Kochmann, Julian; Reese, Stefanie; Hütter, Markus; Svendsen, Bob

2016-04-01

The purpose of the current work is the comparison of thermodynamic model formulations for chemically and structurally inhomogeneous solids at finite deformation based on "standard" non-equilibrium thermodynamics [SNET: e. g. S. de Groot and P. Mazur, Non-equilibrium Thermodynamics, North Holland, 1962] and the general equation for non-equilibrium reversible-irreversible coupling (GENERIC) [H. C. Öttinger, Beyond Equilibrium Thermodynamics, Wiley Interscience, 2005]. In the process, non-isothermal generalizations of standard isothermal conservative [e. g. J. W. Cahn and J. E. Hilliard, Free energy of a non-uniform system. I. Interfacial energy. J. Chem. Phys. 28 (1958), 258-267] and non-conservative [e. g. S. M. Allen and J. W. Cahn, A macroscopic theory for antiphase boundary motion and its application to antiphase domain coarsening. Acta Metall. 27 (1979), 1085-1095; A. G. Khachaturyan, Theory of Structural Transformations in Solids, Wiley, New York, 1983] diffuse interface or "phase-field" models [e. g. P. C. Hohenberg and B. I. Halperin, Theory of dynamic critical phenomena, Rev. Modern Phys. 49 (1977), 435-479; N. Provatas and K. Elder, Phase Field Methods in Material Science and Engineering, Wiley-VCH, 2010.] for solids are obtained. The current treatment is consistent with, and includes, previous works [e. g. O. Penrose and P. C. Fife, Thermodynamically consistent models of phase-field type for the kinetics of phase transitions, Phys. D 43 (1990), 44-62; O. Penrose and P. C. Fife, On the relation between the standard phase-field model and a "thermodynamically consistent" phase-field model. Phys. D 69 (1993), 107-113] on non-isothermal systems as a special case. In the context of no-flux boundary conditions, the SNET- and GENERIC-based approaches are shown to be completely consistent with each other and result in equivalent temperature evolution relations.

Analysis of pressure spectra measurements in a ducted combustion system. Ph.D. Thesis - Toledo Univ.

NASA Technical Reports Server (NTRS)

Miles, J. H.

1980-01-01

Combustion noise propagation in an operating ducted liquid fuel combustion system is studied in relation to the development of combustion noise prediction and suppression techniques. The presence of combustor emissions in the duct is proposed as the primary mechanism producing the attenuation and dispersion of combustion noise propagating in an operating liquid fuel combustion system. First, a complex mathematical model for calculating attenuation and dispersion taking into account mass transfer, heat transfer, and viscosity effects due to the presence of liquid fuel droplets or solid soot particles is discussed. Next, a simpler single parameter model for calculating pressure auto-spectra and cross-spectra which takes into account dispersion and attenuation due to heat transfer between solid soot particles and air is developed. Then, auto-spectra and cross-spectra obtained from internal pressure measurements in a combustion system consisting of a J-47 combustor can, a spool piece, and a long duct are presented. Last, analytical results obtained with the single parameter model are compared with the experimental measurements. The single parameter model results are shown to be in excellent agreement with the measurements.

Fluid-Structure Model of Lymphatic Valve and Vessel

NASA Astrophysics Data System (ADS)

Wolf, Ki; Ballard, Matthew; Nepiyushchikh, Zhanna; Razavi, Mohammad; Dixon, Brandon; Alexeev, Alexander

The lymphatic system is a part of the circulatory system that performs a range of important functions such as transportation of interstitial fluid, fatty acid, and immune cells. The lymphatic vessels are composed of contractile walls to pump lymph against adverse pressure gradient and lymphatic valves that prevent back flow. Despite the importance of lymphatic system, the contribution of mechanical and geometric changes of lymphatic valves and vessels in pathologies of lymphatic dysfunction, such as lymphedema, is not well understood. We developed a coupled fluid-solid computational model to simultaneously simulate a lymphatic vessel, valve, and flow. A lattice Boltzmann model is used to represent the fluid component, while lattice spring model is used for the solid component of the lymphatic vessel, whose mechanical properties are derived experimentally. Behaviors such as lymph flow pattern and lymphatic valve performance against backflow and adverse pressure gradient under varied parameters of lymphatic valve and vessel geometry and mechanical properties are investigated to provide a better insight into the dynamics of lymphatic vessels, valves, and system and give insight into how they might fail in disease. NSF CMMI-1635133.

Analysis of pressure spectra measurements in a ducted combustion system

NASA Astrophysics Data System (ADS)

Miles, J. H.

1980-11-01

Combustion noise propagation in an operating ducted liquid fuel combustion system is studied in relation to the development of combustion noise prediction and suppression techniques. The presence of combustor emissions in the duct is proposed as the primary mechanism producing the attenuation and dispersion of combustion noise propagating in an operating liquid fuel combustion system. First, a complex mathematical model for calculating attenuation and dispersion taking into account mass transfer, heat transfer, and viscosity effects due to the presence of liquid fuel droplets or solid soot particles is discussed. Next, a simpler single parameter model for calculating pressure auto-spectra and cross-spectra which takes into account dispersion and attenuation due to heat transfer between solid soot particles and air is developed. Then, auto-spectra and cross-spectra obtained from internal pressure measurements in a combustion system consisting of a J-47 combustor can, a spool piece, and a long duct are presented. Last, analytical results obtained with the single parameter model are compared with the experimental measurements. The single parameter model results are shown to be in excellent agreement with the measurements.

SORPTION OF TOXIC ORGANIC COMPOUNDS ON WATERWATER SOLIDS: MECHANISMS AND MODELING

EPA Science Inventory

It is proposed that sorption is a combination of two fundamentally different processes: adsorption and partitioning. A sorption model was developed for both single-component and multicomponent systems. The model was tested using single-component experimental isotherm data of eig...

Spectral modification of seismic waves propagating through solids exhibiting a resonance frequency: a 1-D coupled wave propagation-oscillation model

NASA Astrophysics Data System (ADS)

Frehner, Marcel; Schmalholz, Stefan M.; Podladchikov, Yuri

2009-02-01

A 1-D model is presented that couples the microscale oscillations of non-wetting fluid blobs in a partially saturated poroelastic medium with the macroscale wave propagation through the elastic skeleton. The fluid oscillations are caused by surface tension forces that act as the restoring forces driving the oscillations. The oscillations are described mathematically with the equation for a linear oscillator and the wave propagation is described with the 1-D elastic wave equation. Coupling is done using Hamilton's variational principle for continuous systems. The resulting linear system of two partial differential equations is solved numerically with explicit finite differences. Numerical simulations are used to analyse the effect of solids exhibiting internal oscillations, and consequently a resonance frequency, on seismic waves propagating through such media. The phase velocity dispersion relation shows a higher phase velocity in the high-frequency limit and a lower phase velocity in the low-frequency limit. At the resonance frequency a singularity in the dispersion relation occurs. Seismic waves can initiate oscillations of the fluid by transferring energy from solid to fluid at the resonance frequency. Due to this transfer, the spectral amplitude of the solid particle velocity decreases at the resonance frequency. After initiation, the oscillatory movement of the fluid continuously transfers energy at the resonance frequency back to the solid. Therefore, the spectral amplitude of the solid particle velocity is increased at the resonance frequency. Once initiated, fluid oscillations decrease in amplitude with increasing time. Consequently, the spectral peak of the solid particle velocity at the resonance frequency decreases with time.

Assessment of all-solid-state lithium-ion batteries

NASA Astrophysics Data System (ADS)

Braun, P.; Uhlmann, C.; Weiss, M.; Weber, A.; Ivers-Tiffée, E.

2018-07-01

All-solid-state lithium-ion batteries (ASSBs) are considered as next generation energy storage systems. A model might be very useful, which describes all contributions to the internal cell resistance, enables an optimization of the cell design, and calculates the performance of an open choice of cell architectures. A newly developed one-dimensional model for ASSBs is presented, based on a design concept which employs the use of composite electrodes. The internal cell resistance is calculated by linking two-phase transmission line models representing the composite electrodes with an ohmic resistance representing the solid electrolyte (separator). Thereby, electrical parameters, i.e. ionic and electronic conductivity, electrochemical parameters, i.e. charge-transfer resistance at interfaces and lithium solid-state diffusion, and microstructure parameters, i.e. electrode thickness, particle size, interface area, phase composition and tortuosity, are considered as the most important material and design parameters. Subsequently, discharge curves are simulated, and energy- and power-density characteristics of all-solid-state cell architectures are calculated. These model calculations are discussed and compared with experimental data from literature for a high power LiCoO2-Li10GeP2S12/Li10GeP2S12/Li4Ti5O12-Li10GeP2S12 cell.

Porous Silica-Supported Solid Lipid Particles for Enhanced Solubilization of Poorly Soluble Drugs.

PubMed

Yasmin, Rokhsana; Rao, Shasha; Bremmell, Kristen E; Prestidge, Clive A

2016-07-01

Low dissolution of drugs in the intestinal fluid can limit their effectiveness in oral therapies. Here, a novel porous silica-supported solid lipid system was developed to optimize the oral delivery of drugs with limited aqueous solubility. Using lovastatin (LOV) as the model poorly water-soluble drug, two porous silica-supported solid lipid systems (SSL-A and SSL-S) were fabricated from solid lipid (glyceryl monostearate, GMS) and nanoporous silica particles Aerosil 380 (silica-A) and Syloid 244FP (silica-S) via immersion/solvent evaporation. SSL particles demonstrated significantly higher rate and extent of lipolysis in comparison with the pure solid lipid, depending on the lipid loading levels and the morphology. The highest lipid digestion was observed when silica-S was loaded with 34% (w/w) solid lipid, and differential scanning calorimeter (DSC) analysis confirmed the encapsulation of up to 2% (w/w) non-crystalline LOV in this optimal SSL-S formulation. Drug dissolution under non-digesting intestinal conditions revealed a three- to sixfold increase in dissolution efficiencies when compared to the unformulated drug and a LOV-lipid suspension. Furthermore, the SSL-S provided superior drug solubilization under simulated intestinal digesting condition in comparison with the drug-lipid suspension and drug-loaded silica. Therefore, solid lipid and nanoporous silica provides a synergistic effect on optimizing the solubilization of poorly water-soluble compound and the solid lipid-based porous carrier system provides a promising delivery approach to overcome the oral delivery challenges of poorly water-soluble drugs.

Temporal model of an optically pumped co-doped solid state laser

NASA Technical Reports Server (NTRS)

Wangler, T. G.; Swetits, J. J.; Buoncristiani, A. M.

1993-01-01

Currently, research is being conducted on the optical properties of materials associated with the development of solid state lasers in the two micron region. In support of this effort, a mathematical model describing the energy transfer in a holmium laser sensitized with thulium is developed. In this paper, we establish some qualitative properties of the solution of the model, such as non-negativity, boundedness, and integrability. A local stability analysis is then performed from which conditions for asymptotic stability are attained. Finally, we report on our numerical analysis of the system and how it compares with experimental results.

The QuakeSim Project: Numerical Simulations for Active Tectonic Processes

NASA Technical Reports Server (NTRS)

Donnellan, Andrea; Parker, Jay; Lyzenga, Greg; Granat, Robert; Fox, Geoffrey; Pierce, Marlon; Rundle, John; McLeod, Dennis; Grant, Lisa; Tullis, Terry

2004-01-01

In order to develop a solid earth science framework for understanding and studying of active tectonic and earthquake processes, this task develops simulation and analysis tools to study the physics of earthquakes using state-of-the art modeling, data manipulation, and pattern recognition technologies. We develop clearly defined accessible data formats and code protocols as inputs to the simulations. these are adapted to high-performance computers because the solid earth system is extremely complex and nonlinear resulting in computationally intensive problems with millions of unknowns. With these tools it will be possible to construct the more complex models and simulations necessary to develop hazard assessment systems critical for reducing future losses from major earthquakes.

Mechanisms of deterioration of nutrients. [retention of flavor during freeze drying

NASA Technical Reports Server (NTRS)

Karel, M.; Flink, J. M.

1975-01-01

The retention of flavor during freeze drying was studied with model systems. Mechanisms by which flavor retention phenomena is explained were developed and process conditions specified so that flavor retention is optimized. The literature is reviewed and results of studies of the flavor retention behavior of a number of real food products, including both liquid and solid foods are evaluated. Process parameters predicted by the mechanisms to be of greatest significance are freezing rate, initial solids content, and conditions which result in maintenance of sample structure. Flavor quality for the real food showed the same behavior relative to process conditions as predicted by the mechanisms based on model system studies.

WastePlan model implementation for New York State. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Visalli, J.R.; Blackman, D.A.

1995-07-01

WastePlan is a computer software tool that models solid waste quantities, costs, and other parameters on a regional basis. The software was developed by the Tellus Institute, a nonprofit research and consulting firm. The project`s objective was to provide local solid waste management planners in New York State responsible to develop and implement comprehensive solid waste management plans authorized by the Solid Waste Management Act of 1988, with a WastePlan model specifically tailored to fit the demographic and other characteristics of New York State and to provide training and technical support to the users. Two-day workshops were held in 1992more » to introduce planners to the existing versions; subsequently, extensive changes were made to the model and a second set of two-day workshops were held in 1993 to introduce planners to the enhanced version of WastePlan. Following user evaluations, WastePlan was further modified to allow users to model systems using a simplified version, and to incorporate report forms required by New York State. A post-project survey of trainees revealed limited regular use of software. Possible reasons include lack of synchronicity with NYSDEC planning process; lack of computer literacy and aptitude among trainees; hardware limitations; software user-friendliness; and the work environment of the trainees. A number of recommendations are made to encourage use of WastePlan by local solid waste management planners.« less

Design and in vivo evaluation of solid lipid nanoparticulate systems of Olanzapine for acute phase schizophrenia treatment: Investigations on antipsychotic potential and adverse effects.

PubMed

Joseph, Emil; Reddi, Satish; Rinwa, Vibhu; Balwani, Garima; Saha, Ranendra

2017-06-15

The present paper discusses the design, characterization and in vivo evaluation of glyceryl monostearate nanoparticles of Olanzapine, an atypical antipsychotic drug for acute schizophrenia treatment, during which hospitalization is mandatory and adverse effects are at its peak. The solid lipid nanoparticulate system was obtained by emulsification-ultra sonication technique wherein three factors such as solid lipid content, concentration of surfactant and drug: solid lipid ratio were selected at three different levels in order to study their influence on significant characteristic responses such as particle size, encapsulation efficiency and drug content. A Box Behnken design with 17 runs involving whole factors at three levels was employed for the study. The optimized formulation was further coated with Polysorbate 80 in order to enhance its brain targeting potential through endocytosis transport process via blood brain barrier. The designed formulations were pre-clinically tested successfully in Wistar rat model for in vivo antipsychotic efficacy (apomorphine induced psychosis) and adverse effects (weight gain study for 28days). The results obtained indicated that solid lipid nanoparticles had very narrow size distribution (151.29±3.36nm) with very high encapsulation efficiency (74.51±1.75%). Morphological studies by SEM have shown that solid lipid nanoparticles were spherical in shape with smooth surface. Olanzapine-loaded nanoparticles prepared from solid lipid, extended the release of drug for 48h, as found by the in vitro release studies. The formulations also exhibited high redispersibility after freeze-drying and stability study results demonstrated good stability, with no significant change for a period of 6months. In vivo evaluation and adverse effects studies of Olanzapine-loaded nanoparticulate systems in animal model have demonstrated an improved therapeutic efficacy than pure Olanzapine. The antipsychotic effect of drug loaded nanoparticulate systems was maintained for 48h as compared to 8h antipsychotic action of pure Olanzapine solution. The weight gain studies for 28days demonstrated a significant inhibition in weight gain for Olanzapine-loaded nanoparticulate systems as compared to the pure Olanzapine. The present research findings indicate that OLN-loaded nanoparticulate systems may be highly promising for effective delivery of Olanzapine with better efficacy and minimum adverse effects. Copyright © 2017 Elsevier B.V. All rights reserved.

A CFD model for biomass combustion in a packed bed furnace

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karim, Md. Rezwanul; Department of Mechanical & Chemical Engineering, Islamic University of Technology, Gazipur 1704; Ovi, Ifat Rabbil Qudrat

Climate change has now become an important issue which is affecting environment and people around the world. Global warming is the main reason of climate change which is increasing day by day due to the growing demand of energy in developed countries. Use of renewable energy is now an established technique to decrease the adverse effect of global warming. Biomass is a widely accessible renewable energy source which reduces CO{sub 2} emissions for producing thermal energy or electricity. But the combustion of biomass is complex due its large variations and physical structures. Packed bed or fixed bed combustion is themore » most common method for the energy conversion of biomass. Experimental investigation of packed bed biomass combustion is difficult as the data collection inside the bed is challenging. CFD simulation of these combustion systems can be helpful to investigate different operational conditions and to evaluate the local values inside the investigation area. Available CFD codes can model the gas phase combustion but it can’t model the solid phase of biomass conversion. In this work, a complete three-dimensional CFD model is presented for numerical investigation of packed bed biomass combustion. The model describes the solid phase along with the interface between solid and gas phase. It also includes the bed shrinkage due to the continuous movement of the bed during solid fuel combustion. Several variables are employed to represent different parameters of solid mass. Packed bed is considered as a porous bed and User Defined Functions (UDFs) platform is used to introduce solid phase user defined variables in the CFD. Modified standard discrete transfer radiation method (DTRM) is applied to model the radiation heat transfer. Preliminary results of gas phase velocity and pressure drop over packed bed have been shown. The model can be useful for investigation of movement of the packed bed during solid fuel combustion.« less

HARMONIZATION AND COMMUNICATION OF PBPK MODELS USING THE EXPOSURE RELATED DOSE ESTIMATION MODEL (ERDEM) SYSTEM: TRICHLOROETHYLENE

EPA Science Inventory

In support of the trichloroethylene (TCE) risk assessment for the Office of Air and Radiation, Office of Solid Waste and Emergency Response, and Office of Water, NERL and NCEA are developing an updated physiologically-based pharmacokinetic (PBPK) model. The PBPK modeling effort ...

HARMONIZATION AND COMMUNICATION OF PBPK MODELS USING THE EXPOSURE RELATED DOSE MODEL (ERDEM) SYSTEM: TRICHLOROETHYLENE

EPA Science Inventory

In support of the trichloroethylene (TCE) risk assessment for the Office of Air and Radiation, Office of Solid Waste and Emergency Response, and Office of Water, NERL and NCEA are developing an updated physiologically-based pharmacokinetic (PBPK) model. The PBPK modeling effor...

Quantification of oil binding capacity of structuring fats: A novel method and its application.

PubMed

Omonov, Tolibjon S; Bouzidi, Laziz; Narine, Suresh S

2010-09-01

A robust, well-defined and reproducible method to accurately measure the oil binding capacity (OBC) of structuring fats was developed. The method was validated using two oil/fat model systems, i.e., fully hydrogenated canola oil (FHCO) in canola oil (CO) (FHCO/CO) and fully hydrogenated soybean oil (FHSO) in CO (FHSO/CO). The mixtures were crystallized from the melt down to three different temperatures (15, 25 and 35 degrees C) at constant rates of cooling and the OBC was measured after different periods of storage time. The critical concentration of hard fat at which the solid fat network is stable and effectively binds oil has been also measured for mixtures crystallized at temperatures close to room temperature, i.e., 25 degrees C. Crystal structure, melting behavior, microstructure, and solid fat content of these binary systems have been investigated in relation to the OBC of the solid fat network using X-ray diffraction (XRD), differential scanning calorimetry (DSC), polarized light microscopy (PLM), and wide-line pulsed nuclear magnetic resonance (pNMR) techniques. The two model systems exhibited similar trends in OBC over time, a behavior attributed to their similar TAG composition and polymorphism. However, relatively smaller OBC values were achieved by the CO/FHSO compared to CO/FHCO samples, largely due to differences in their solid network structure. Four successive decreasing linear segments, identifying successive mechanisms of oil migration/binding, were observed in the experimental OBC versus fat weight fraction curves. The critical concentration of hard fat, at which the solid fat network is effective in binding oil, was also determined and found to be approximately 6wt% for both systems. Copyright 2010 Elsevier Ireland Ltd. All rights reserved.

A novel osmotic pump-based controlled delivery system consisting of pH-modulated solid dispersion for poorly soluble drug flurbiprofen: in vitro and in vivo evaluation.

PubMed

Li, Shujuan; Wang, Xiaoyu; Wang, Yingying; Zhao, Qianqian; Zhang, Lina; Yang, Xinggang; Liu, Dandan; Pan, Weisan

2015-01-01

In this study, a novel controlled release osmotic pump capsule consisting of pH-modulated solid dispersion for poorly soluble drug flurbiprofen (FP) was developed to improve the solubility and oral bioavailability of FP and to minimize the fluctuation of plasma concentration. The pH-modulated solid dispersion containing FP, Kollidon® 12 PF and Na2CO3 at a weight ratio of 1/4.5/0.02 was prepared using the solvent evaporation method. The osmotic pump capsule was assembled by semi-permeable capsule shell of cellulose acetate (CA) prepared by the perfusion method. Then, the solid dispersion, penetration enhancer, and suspending agents were tableted and filled into the capsule. Central composite design-response surface methodology was used to evaluate the influence of factors on the responses. A second-order polynomial model and a multiple linear model were fitted to correlation coefficient of drug release profile and ultimate cumulative release in 12 h, respectively. The actual response values were in good accordance with the predicted ones. The optimized formulation showed a complete drug delivery and zero-order release rate. Beagle dogs were used to be conducted in the pharmacokinetic study. The in vivo study indicated that the relative bioavailability of the novel osmotic pump system was 133.99% compared with the commercial preparation. The novel controlled delivery system with combination of pH-modulated solid dispersion and osmotic pump system is not only a promising strategy to improve the solubility and oral bioavailability of poorly soluble ionizable drugs but also an effective way to reduce dosing frequency and minimize the plasma fluctuation.

Pulverized solid injection system. Application to laboratory burners and pyrometric temperature measurements

NASA Astrophysics Data System (ADS)

Therssen, E.; Delfosse, L.

1995-08-01

The design and setting up of a pulverized solid injection system for use in laboratory burners is presented. The original dual system consists of a screw feeder coupled to an acoustic sower. This laboratory device allows a good regularity and stability of the particle-gas mixture transported to the burner in a large scale of mass powder and gas vector rate flow. The thermal history of the particles has been followed by optical measurements. The quality of the particle cloud injected in the burner has been validated by the good agreement between experimental and modeling particle temperature.

Analysis and Modeling of Structure Formation in Granular and Fluid-Solid Flows

NASA Astrophysics Data System (ADS)

Murphy, Eric

Granular and multiphase flows are encountered in a number of industrial processes with particular emphasis in this manuscript given to the particular applications in cement pumping, pneumatic conveying, fluid catalytic cracking, CO2 capture, and fast pyrolysis of bio-materials. These processes are often modeled using averaged equations that may be simulated using computational fluid dynamics. Closure models are then required that describe the average forces that arise from both interparticle interactions, e.g. shear stress, and interphase interactions, such as mean drag. One of the biggest hurdles to this approach is the emergence of non-trivial spatio-temporal structures in the particulate phase, which can significantly modify the qualitative behavior of these forces and the resultant flow phenomenology. For example, the formation of large clusters in cohesive granular flows is responsible for a transition from solid-like to fluid-like rheology. Another example is found in gas-solid systems, where clustering at small scales is observed to significantly lower in the observed drag. Moreover, there remains the possibility that structure formation may occur at all scales, leading to a lack of scale separation required for traditional averaging approaches. In this context, several modeling problems are treated 1) first-principles based modeling of the rheology of cement slurries, 2) modeling the mean solid-solid drag experienced by polydisperse particles undergoing segregation, and 3) modeling clustering in homogeneous gas-solid flows. The first and third components are described in greater detail. In the study on the rheology of cements, several sub-problems are introduced, which systematically increase in the number and complexity of interparticle interactions. These interparticle interactions include inelasticity, friction, cohesion, and fluid interactions. In the first study, the interactions between cohesive inelastic particles was fully characterized for the first time. Next, kinetic theory was used to predict the cooling of a gas of such particles. DEM was then used to validate this approach. A study on the rheology of dry cohesive granules with and without friction was then carried out, where the physics of different flow phenomenology was exhaustively explored. Lastly, homogeneous cement slurry simulations were carried out, and compared with vane-rheometer experiments. Qualitative agreement between simulation and experiment were observed. Lastly, the physics of clustering in homogeneous gas-solid flows is explored in the hopes of gaining a mechanistic explanation of how particle-fluid interactions lead to clustering. Exact equations are derived, detailing the evolution of the two particle density, which may be closed using high-fidelity particle-resolved direct numerical simulation. Two canonical gas-solid flows are then addressed, the homogeneously cooling gas-solid flow (HCGSF) and sedimenting gas-solid flow (SGSF). A mechanism responsible for clustering in the HCGSF is identified. Clustering of plane-wave like structures is observed in the SGSF, and the exact terms are quantified. A method for modeling the dynamics of clustering in these systems is proposed, which may aid in the prediction of clustering and other correlation length-scales useful for less expensive computations.

A modified Chang Brown model for the determination of the dopant distribution in a Bridgman Stockbarger semiconductor crystal growth system

NASA Astrophysics Data System (ADS)

Balint, A. M.; Mihailovici, M. M.; Bãltean, D. G.; Balint, St.

2001-08-01

In this paper, we start from the Chang-Brown model which allows computation of flow, temperature and dopant concentration in a vertical Bridgman-Stockbarger semiconductor growth system. The modifications made by us concern the melt/solid interface. Namely, we assume that the phase transition does not take place on a flat mathematical surface, but in a thin region (the so-called precrystallization-zone), masking the crystal, where both phases, liquid and solid, co-exist. We deduce for this zone new effective equations which govern flow, heat and dopant transport and make the coupling of these equations with those governing the same phenomena in the pure melt. We compute flow, temperature and dopant concentration for crystal and melt with thermophysical properties similar to gallium-doped germanium using the modified Chang-Brown model and compare the results to those obtained using the Chang-Brown model.

Optimizing a tandem disk model

NASA Astrophysics Data System (ADS)

Healey, J. V.

1983-08-01

The optimum values of the solidity ratio, tip speed ratio (TSR), and the preset angle of attack, the corresponding distribution, and the breakdown mechanism for a tandem disk model for a crosswind machine such as a Darrieus are examined analytically. Equations are formulated for thin blades with zero drag in consideration of two plane rectangular disks, both perpendicular to the wind flow. Power coefficients are obtained for both disks and comparisons are made between a single-disk system and a two-disk system. The power coefficient for the tandem disk model is shown to be a sum of the coefficients of the individual disks, with a maximum value of twice the Betz limit at an angle of attack of -1 deg and the TSR between 4-7. The model, applied to the NACA 0012 profile, gives a maximum power coefficient of 0.967 with a solidity ratio of 0.275 and highly limited ranges for the angle of attack and TSR.

A nonlinear dynamical system approach for the yielding behaviour of a viscoplastic material.

PubMed

Burghelea, Teodor; Moyers-Gonzalez, Miguel; Sainudiin, Raazesh

2017-03-08

A nonlinear dynamical system model that approximates a microscopic Gibbs field model for the yielding of a viscoplastic material subjected to varying external stresses recently reported in R. Sainudiin, M. Moyers-Gonzalez and T. Burghelea, Soft Matter, 2015, 11(27), 5531-5545 is presented. The predictions of the model are in fair agreement with microscopic simulations and are in very good agreement with the micro-structural semi-empirical model reported in A. M. V. Putz and T. I. Burghelea, Rheol. Acta, 2009, 48, 673-689. With only two internal parameters, the nonlinear dynamical system model captures several key features of the solid-fluid transition observed in experiments: the effect of the interactions between microscopic constituents on the yield point, the abruptness of solid-fluid transition and the emergence of a hysteresis of the micro-structural states upon increasing/decreasing external forces. The scaling behaviour of the magnitude of the hysteresis with the degree of the steadiness of the flow is consistent with previous experimental observations. Finally, the practical usefulness of the approach is demonstrated by fitting a rheological data set measured with an elasto-viscoplastic material.

Modeling the Growth of Filamentous Fungi at the Particle Scale in Solid-State Fermentation Systems.

PubMed

Sugai-Guérios, Maura Harumi; Balmant, Wellington; Furigo, Agenor; Krieger, Nadia; Mitchell, David Alexander

2015-01-01

Solid-state fermentation (SSF) with filamentous fungi is a promising technique for the production of a range of biotechnological products and has the potential to play an important role in future biorefineries. The performance of such processes is intimately linked with the mycelial mode of growth of these fungi: Not only is the production of extracellular enzymes related to morphological characteristics, but also the mycelium can affect bed properties and, consequently, the efficiency of heat and mass transfer within the bed. A mathematical model that describes the development of the fungal mycelium in SSF systems at the particle scale would be a useful tool for investigating these phenomena, but, as yet, a sufficiently complete model has not been proposed. This review presents the biological and mass transfer phenomena that should be included in such a model and then evaluates how these phenomena have been modeled previously in the SSF and related literature. We conclude that a discrete lattice-based model that uses differential equations to describe the mass balances of the components within the system would be most appropriate and that mathematical expressions for describing the individual phenomena are available in the literature. It remains for these phenomena to be integrated into a complete model describing the development of fungal mycelia in SSF systems.

Systemic Inflammation-Based Biomarkers and Survival in HIV-Positive Subject With Solid Cancer in an Italian Multicenter Study.

PubMed

Raffetti, Elena; Donato, Francesco; Pezzoli, Chiara; Digiambenedetto, Simona; Bandera, Alessandra; Di Pietro, Massimo; Di Filippo, Elisa; Maggiolo, Franco; Sighinolfi, Laura; Fornabaio, Chiara; Castelnuovo, Filippo; Ladisa, Nicoletta; Castelli, Francesco; Quiros Roldan, Eugenia

2015-08-15

Recently, some systemic inflammation-based biomarkers have been demonstrated useful for predicting risk of death in patients with solid cancer independently of tumor characteristics. This study aimed to investigate the prognostic role of systemic inflammation-based biomarkers in HIV-infected patients with solid tumors and to propose a risk score for mortality in these subjects. Clinical and pathological data on solid AIDS-defining cancer (ADC) and non-AIDS-defining cancer (NADC), diagnosed between 1998 and 2012 in an Italian cohort, were analyzed. To evaluate the prognostic role of systemic inflammation- and nutrition-based markers, univariate and multivariable Cox regression models were applied. To compute the risk score equation, the patients were randomly assigned to a derivation and a validation sample. A total of 573 patients (76.3% males) with a mean age of 46.2 years (SD = 10.3) were enrolled. 178 patients died during a median of 3.2 years of follow-up. For solid NADCs, elevated Glasgow Prognostic Score, modified Glasgow Prognostic Score, neutrophil/lymphocyte ratio, platelet/lymphocyte ratio, and Prognostic Nutritional Index were independently associated with risk of death; for solid ADCs, none of these markers was associated with risk of death. For solid NADCs, we computed a mortality risk score on the basis of age at cancer diagnosis, intravenous drug use, and Prognostic Nutritional Index. The areas under the receiver operating characteristic curve were 0.67 (95% confidence interval: 0.58 to 0.75) in the derivation sample and 0.66 (95% confidence interval: 0.54 to 0.79) in the validation sample. Inflammatory biomarkers were associated with risk of death in HIV-infected patients with solid NADCs but not with ADCs.

Modeling of a thermally integrated 10 kWe planar solid oxide fuel cell system with anode offgas recycling and internal reforming by discretization in flow direction

NASA Astrophysics Data System (ADS)

Wahl, Stefanie; Segarra, Ana Gallet; Horstmann, Peter; Carré, Maxime; Bessler, Wolfgang G.; Lapicque, François; Friedrich, K. Andreas

2015-04-01

Combined heat and power production (CHP) based on solid oxide fuel cells (SOFC) is a very promising technology to achieve high electrical efficiency to cover power demand by decentralized production. This paper presents a dynamic quasi 2D model of an SOFC system which consists of stack and balance of plant and includes thermal coupling between the single components. The model is implemented in Modelica® and validated with experimental data for the stack UI-characteristic and the thermal behavior. The good agreement between experimental and simulation results demonstrates the validity of the model. Different operating conditions and system configurations are tested, increasing the net electrical efficiency to 57% by implementing an anode offgas recycle rate of 65%. A sensitivity analysis of characteristic values of the system like fuel utilization, oxygen-to-carbon ratio and electrical efficiency for different natural gas compositions is carried out. The result shows that a control strategy adapted to variable natural gas composition and its energy content should be developed in order to optimize the operation of the system.

Solid/liquid interfacial free energies in binary systems

NASA Technical Reports Server (NTRS)

Nason, D.; Tiller, W. A.

1973-01-01

Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

Drug delivery properties of macroporous polystyrene solid foams.

PubMed

Canal, Cristina; Aparicio, Rosa Maria; Vilchez, Alejandro; Esquena, Jordi; García-Celma, Maria José

2012-01-01

Polymeric porous foams have been evaluated as possible new pharmaceutical dosage forms. These materials were obtained by polymerization in the continuous phase of highly concentrated emulsions prepared by the phase inversion temperature method. Their porosity, specific surface and surface topography were characterized, and the incorporation and release of active principles was studied using ketoprofen as model lipophilic molecule. Solid foams with very high pore volume, mainly inside macropores, were obtained by this method. The pore morphology of the materials was characterized, and very rough topography was observed, which contributed to their nearly superhydrophobic properties. These solid foams could be used as delivery systems for active principles with pharmaceutical interest, and in the present work ketoprofen was used as a model lipophilic molecule. Drug incorporation and release was studied from solid foam disks, using different concentrations of the loading solutions, achieving a delayed release with short lag-time.

Reaction Kinetic Model of Dilute Acid-Catalyzed Hemicellulose Hydrolysis of Corn Stover under High-Solid Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Suan; Guan, Wenjian; Kang, Li

High solid conditions are desirable in pretreatment of lignocellulosic biomass. An advanced dilute-acid pretreatment reactor has been developed at National Renewable Energy Laboratory (NREL). It is a continuous auger-driven reactor that can be operated with high-solid charge at high temperature and with short residence time resulting high productivity and high sugar concentration. Here, we investigated the kinetics of the reactions associated with dilute-acid pretreatment of corn stover, covering the reaction conditions of the NREL reactor operation: 155-185 C, 1-2 wt% sulfuric acid concentration, and 1:2 solid to liquid ratio. The experimental data were fitted to a first-order biphasic model whichmore » assumes that xylan is comprised of two different fragments: fast and slow reacting fractions. Due to the high solid loading condition, significant amount of xylose oligomers was observed during the pretreatment. We also included the oligomers as an intermediate entity in the kinetic model. The effect of acid concentration was incorporated into the pre-exponential factor of Arrhenius equation. The kinetic model with bestfit kinetic parameters has shown good agreement with experimental data. The kinetic parameter values of the proposed model were noticeably different from those previously reported. The activation energies of xylan hydrolysis are lower and the acid exponents are higher than the average of literature values. The proposed model can serve as a useful tool for design and operation of pretreatment system pertaining to corn stover.« less

Reaction Kinetic Model of Dilute Acid-Catalyzed Hemicellulose Hydrolysis of Corn Stover under High-Solid Conditions

DOE PAGES

Shi, Suan; Guan, Wenjian; Kang, Li; ...

2017-09-13

High solid conditions are desirable in pretreatment of lignocellulosic biomass. An advanced dilute-acid pretreatment reactor has been developed at National Renewable Energy Laboratory (NREL). It is a continuous auger-driven reactor that can be operated with high-solid charge at high temperature and with short residence time resulting high productivity and high sugar concentration. Here, we investigated the kinetics of the reactions associated with dilute-acid pretreatment of corn stover, covering the reaction conditions of the NREL reactor operation: 155-185 C, 1-2 wt% sulfuric acid concentration, and 1:2 solid to liquid ratio. The experimental data were fitted to a first-order biphasic model whichmore » assumes that xylan is comprised of two different fragments: fast and slow reacting fractions. Due to the high solid loading condition, significant amount of xylose oligomers was observed during the pretreatment. We also included the oligomers as an intermediate entity in the kinetic model. The effect of acid concentration was incorporated into the pre-exponential factor of Arrhenius equation. The kinetic model with bestfit kinetic parameters has shown good agreement with experimental data. The kinetic parameter values of the proposed model were noticeably different from those previously reported. The activation energies of xylan hydrolysis are lower and the acid exponents are higher than the average of literature values. The proposed model can serve as a useful tool for design and operation of pretreatment system pertaining to corn stover.« less

Development of automation and robotics for space via computer graphic simulation methods

NASA Technical Reports Server (NTRS)

Fernandez, Ken

1988-01-01

A robot simulation system, has been developed to perform automation and robotics system design studies. The system uses a procedure-oriented solid modeling language to produce a model of the robotic mechanism. The simulator generates the kinematics, inverse kinematics, dynamics, control, and real-time graphic simulations needed to evaluate the performance of the model. Simulation examples are presented, including simulation of the Space Station and the design of telerobotics for the Orbital Maneuvering Vehicle.

A Hydrodynamic Characteristic of a Dual Fluidized Bed Gasification

NASA Astrophysics Data System (ADS)

Sung, Yeon Kyung; Song, Jae Hun; Bang, Byung Ryeul; Yu, Tae U.; Lee, Uen Do

A cold model dual fluidized bed (DFB) reactor, consisting of two parallel interconnected bubbling and fast fluidized beds, was designed for developing an auto-thermal biomass gasifier. The combustor of this system burns the rest char of the gasification process and provides heat to the gasifier by circulating solids inventory. To find an optimal mixing and circulation of heavy solid inventory and light biomass and char materials, we investigate two types of DFB reactors which have different configuration of distributor and way-out location of the solid inventory and char materials in the gasifier. To determine appropriate operating conditions, we measured minimum fluidization velocity, solid circulation rate, axial solid holdup and gas bypassing between the lower loop seal and the gasifier.

Molecular Momentum Transport at Fluid-Solid Interfaces in MEMS/NEMS: A Review

PubMed Central

Cao, Bing-Yang; Sun, Jun; Chen, Min; Guo, Zeng-Yuan

2009-01-01

This review is focused on molecular momentum transport at fluid-solid interfaces mainly related to microfluidics and nanofluidics in micro-/nano-electro-mechanical systems (MEMS/NEMS). This broad subject covers molecular dynamics behaviors, boundary conditions, molecular momentum accommodations, theoretical and phenomenological models in terms of gas-solid and liquid-solid interfaces affected by various physical factors, such as fluid and solid species, surface roughness, surface patterns, wettability, temperature, pressure, fluid viscosity and polarity. This review offers an overview of the major achievements, including experiments, theories and molecular dynamics simulations, in the field with particular emphasis on the effects on microfluidics and nanofluidics in nanoscience and nanotechnology. In Section 1 we present a brief introduction on the backgrounds, history and concepts. Sections 2 and 3 are focused on molecular momentum transport at gas-solid and liquid-solid interfaces, respectively. Summary and conclusions are finally presented in Section 4. PMID:20087458

Kinetic theory of shear thickening for a moderately dense gas-solid suspension: From discontinuous thickening to continuous thickening

NASA Astrophysics Data System (ADS)

Hayakawa, Hisao; Takada, Satoshi; Garzó, Vicente

2017-10-01

The Enskog kinetic theory for moderately dense gas-solid suspensions under simple shear flow is considered as a model to analyze the rheological properties of the system. The influence of the environmental fluid on solid particles is modeled via a viscous drag force plus a stochastic Langevin-like term. The Enskog equation is solved by means of two independent but complementary routes: (i) Grad's moment method and (ii) event-driven Langevin simulation of hard spheres. Both approaches clearly show that the flow curve (stress-strain rate relation) depends significantly on the volume fraction of the solid particles. In particular, as the density increases, there is a transition from the discontinuous shear thickening (observed in dilute gases) to the continuous shear thickening for denser systems. The comparison between theory and simulations indicates that while the theoretical predictions for the kinetic temperature agree well with simulations for densities φ ≲0.5 , the agreement for the other rheological quantities (the viscosity, the stress ratio, and the normal stress differences) is limited to more moderate densities (φ ≲0.3 ) if the inelasticity during collisions between particles is not large.

Composition design for Laves phase-related body-centered cubic-V solid solution alloys with large hydrogen storage capacities.

PubMed

Wang, H B; Wang, Q; Dong, C; Yuan, L; Xu, F; Sun, L X

2008-03-19

This paper analyzes the characteristics of alloy compositions with large hydrogen storage capacities in Laves phase-related body-centered cubic (bcc) solid solution alloy systems using the cluster line approach. Since a dense-packed icosahedral cluster A(6)B(7) characterizes the local structure of AB(2) Laves phases, in an A-B-C ternary system, such as Ti-Cr (Mn, Fe)-V, where A-B forms AB(2) Laves phases while A-C and B-C tend to form solid solutions, a cluster line A(6)B(7)-C is constructed by linking A(6)B(7) to C. The alloy compositions with large hydrogen storage capacities are generally located near this line and are approximately expressed with the cluster-plus-glue-atom model. The cluster line alloys (Ti(6)Cr(7))(100-x)V(x) (x = 2.5-70 at.%) exhibit different structures and hence different hydrogen storage capacities with increasing V content. The alloys (Ti(6)Cr(7))(95)V(5) and Ti(30)Cr(40)V(30) with bcc solid solution structure satisfy the cluster-plus-glue-atom model.

Kinetic theory of shear thickening for a moderately dense gas-solid suspension: From discontinuous thickening to continuous thickening.

PubMed

Hayakawa, Hisao; Takada, Satoshi; Garzó, Vicente

2017-10-01

The Enskog kinetic theory for moderately dense gas-solid suspensions under simple shear flow is considered as a model to analyze the rheological properties of the system. The influence of the environmental fluid on solid particles is modeled via a viscous drag force plus a stochastic Langevin-like term. The Enskog equation is solved by means of two independent but complementary routes: (i) Grad's moment method and (ii) event-driven Langevin simulation of hard spheres. Both approaches clearly show that the flow curve (stress-strain rate relation) depends significantly on the volume fraction of the solid particles. In particular, as the density increases, there is a transition from the discontinuous shear thickening (observed in dilute gases) to the continuous shear thickening for denser systems. The comparison between theory and simulations indicates that while the theoretical predictions for the kinetic temperature agree well with simulations for densities φ≲0.5, the agreement for the other rheological quantities (the viscosity, the stress ratio, and the normal stress differences) is limited to more moderate densities (φ≲0.3) if the inelasticity during collisions between particles is not large.

Spin Solid versus Magnetic Charge Ordered State in Artificial Honeycomb Lattice of Connected Elements

PubMed Central

Glavic, Artur; Summers, Brock; Dahal, Ashutosh; Kline, Joseph; Van Herck, Walter; Sukhov, Alexander; Ernst, Arthur

2018-01-01

Abstract The nature of magnetic correlation at low temperature in two‐dimensional artificial magnetic honeycomb lattice is a strongly debated issue. While theoretical researches suggest that the system will develop a novel zero entropy spin solid state as T → 0 K, a confirmation to this effect in artificial honeycomb lattice of connected elements is lacking. This study reports on the investigation of magnetic correlation in newly designed artificial permalloy honeycomb lattice of ultrasmall elements, with a typical length of ≈12 nm, using neutron scattering measurements and temperature‐dependent micromagnetic simulations. Numerical modeling of the polarized neutron reflectometry data elucidates the temperature‐dependent evolution of spin correlation in this system. As temperature reduces to ≈7 K, the system tends to develop novel spin solid state, manifested by the alternating distribution of magnetic vortex loops of opposite chiralities. Experimental results are complemented by temperature‐dependent micromagnetic simulations that confirm the dominance of spin solid state over local magnetic charge ordered state in the artificial honeycomb lattice with connected elements. These results enable a direct investigation of novel spin solid correlation in the connected honeycomb geometry of 2D artificial structure. PMID:29721429

Pulse Jet Mixing Tests With Noncohesive Solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meyer, Perry A.; Bamberger, Judith A.; Enderlin, Carl W.

2009-05-11

This report summarizes results from pulse jet mixing (PJM) tests with noncohesive solids in Newtonian liquid conducted during FY 2007 and 2008 to support the design of mixing systems for the Hanford Waste Treatment and Immobilization Plant (WTP). Tests were conducted at three geometric scales using noncohesive simulants. The test data were used to independently develop mixing models that can be used to predict full-scale WTP vessel performance and to rate current WTP mixing system designs against two specific performance requirements. One requirement is to ensure that all solids have been disturbed during the mixing action, which is important tomore » release gas from the solids. The second requirement is to maintain a suspended solids concentration below 20 weight percent at the pump inlet. The models predict the height to which solids will be lifted by the PJM action, and the minimum velocity needed to ensure all solids have been lifted from the floor. From the cloud height estimate we can calculate the concentration of solids at the pump inlet. The velocity needed to lift the solids is slightly more demanding than "disturbing" the solids, and is used as a surrogate for this metric. We applied the models to assess WTP mixing vessel performance with respect to the two perform¬ance requirements. Each mixing vessel was evaluated against these two criteria for two defined waste conditions. One of the wastes was defined by design limits and one was derived from Hanford waste characterization reports. The assessment predicts that three vessel types will satisfy the design criteria for all conditions evaluated. Seven vessel types will not satisfy the performance criteria used for any of the conditions evaluated. The remaining three vessel types provide varying assessments when the different particle characteristics are evaluated. The assessment predicts that three vessel types will satisfy the design criteria for all conditions evaluated. Seven vessel types will not satisfy the performance criteria used for any of the conditions evaluated. The remaining three vessel types provide varying assessments when the different particle characteristics are evaluated. The HLP-022 vessel was also evaluated using 12 m/s pulse jet velocity with 6-in. nozzles, and this design also did not satisfy the criteria for all of the conditions evaluated.« less

Development of the Multiple Use Plug Hybrid for Nanosats (MUPHyN) miniature thruster

NASA Astrophysics Data System (ADS)

Eilers, Shannon

The Multiple Use Plug Hybrid for Nanosats (MUPHyN) prototype thruster incorporates solutions to several major challenges that have traditionally limited the deployment of chemical propulsion systems on small spacecraft. The MUPHyN thruster offers several features that are uniquely suited for small satellite applications. These features include 1) a non-explosive ignition system, 2) non-mechanical thrust vectoring using secondary fluid injection on an aerospike nozzle cooled with the oxidizer flow, 3) a non-toxic, chemically-stable combination of liquid and inert solid propellants, 4) a compact form factor enabled by the direct digital manufacture of the inert solid fuel grain. Hybrid rocket motors provide significant safety and reliability advantages over both solid composite and liquid propulsion systems; however, hybrid motors have found only limited use on operational vehicles due to 1) difficulty in modeling the fuel flow rate 2) poor volumetric efficiency and/or form factor 3) significantly lower fuel flow rates than solid rocket motors 4) difficulty in obtaining high combustion efficiencies. The features of the MUPHyN thruster are designed to offset and/or overcome these shortcomings. The MUPHyN motor design represents a convergence of technologies, including hybrid rocket regression rate modeling, aerospike secondary injection thrust vectoring, multiphase injector modeling, non-pyrotechnic ignition, and nitrous oxide regenerative cooling that address the traditional challenges that limit the use of hybrid rocket motors and aerospike nozzles. This synthesis of technologies is unique to the MUPHyN thruster design and no comparable work has been published in the open literature.

Evaluation and modeling of the eutectic composition of various drug-polyethylene glycol solid dispersions.

PubMed

Baird, Jared A; Taylor, Lynne S

2011-06-01

The purpose of this study was to gain a better understanding of which factors contribute to the eutectic composition of drug-polyethylene glycol (PEG) blends and to compare experimental values with predictions from the semi-empirical model developed by Lacoulonche et al. Eutectic compositions of various drug-PEG 3350 solid dispersions were predicted, assuming athermal mixing, and compared to experimentally determined eutectic points. The presence or absence of specific interactions between the drug and PEG 3350 were investigated using Fourier transform infrared (FT-IR) spectroscopy. The eutectic composition for haloperidol-PEG and loratadine-PEG solid dispersions was accurately predicted using the model, while predictions for aceclofenac-PEG and chlorpropamide-PEG were very different from those experimentally observed. Deviations in the model prediction from ideal behavior for the systems evaluated were confirmed to be due to the presence of specific interactions between the drug and polymer, as demonstrated by IR spectroscopy. Detailed analysis showed that the eutectic composition prediction from the model is interdependent on the crystal lattice energy of the drug compound (evaluated from the melting temperature and the heat of fusion) as well as the nature of the drug-polymer interactions. In conclusion, for compounds with melting points less than 200°C, the model is ideally suited for predicting the eutectic composition of systems where there is an absence of drug-polymer interactions.

Numerical Modeling of Saturated Boiling in a Heated Tube

NASA Technical Reports Server (NTRS)

Majumdar, Alok; LeClair, Andre; Hartwig, Jason

2017-01-01

This paper describes a mathematical formulation and numerical solution of boiling in a heated tube. The mathematical formulation involves a discretization of the tube into a flow network consisting of fluid nodes and branches and a thermal network consisting of solid nodes and conductors. In the fluid network, the mass, momentum and energy conservation equations are solved and in the thermal network, the energy conservation equation of solids is solved. A pressure-based, finite-volume formulation has been used to solve the equations in the fluid network. The system of equations is solved by a hybrid numerical scheme which solves the mass and momentum conservation equations by a simultaneous Newton-Raphson method and the energy conservation equation by a successive substitution method. The fluid network and thermal network are coupled through heat transfer between the solid and fluid nodes which is computed by Chen's correlation of saturated boiling heat transfer. The computer model is developed using the Generalized Fluid System Simulation Program and the numerical predictions are compared with test data.

Quantifying fat, oil, and grease deposit formation kinetics.

PubMed

Iasmin, Mahbuba; Dean, Lisa O; Ducoste, Joel J

2016-01-01

Fat, oil, and grease (FOG) deposits formed in sanitary sewers are calcium-based saponified solids that are responsible for a significant number of nationwide sanitary sewer overflows (SSOs) across United States. In the current study, the kinetics of lab-based saponified solids were determined to understand the kinetics of FOG deposit formation in sewers for two types of fat (Canola and Beef Tallow) and two types of calcium sources (calcium chloride and calcium sulfate) under three pH (7 ± 0.5, 10 ± 0.5, and ≈14) and two temperature conditions (22 ± 0.5 and 45 ± 0.5 °C). The results of this study displayed quick reactions of a fraction of fats with calcium ions to form calcium based saponified solids. Results further showed that increased palmitic fatty acid content in source fats, the magnitude of the pH, and temperature significantly affect the FOG deposit formation and saponification rates. The experimental data of the kinetics were compared with two empirical models: a) Cotte saponification model and b) Foubert crystallization model and a mass-action based mechanistic model that included alkali driven hydrolysis of triglycerides. Results showed that the mass action based mechanistic model was able to predict changes in the rate of formation of saponified solids under the different experimental conditions compared to both empirical models. The mass-action based saponification model also revealed that the hydrolysis of Beef Tallow was slower compared to liquid Canola fat resulting in smaller quantities of saponified solids. This mechanistic saponification model, with its ability to track the saponified solids chemical precursors, may provide an initial framework to predict the spatial formation of FOG deposits in municipal sewers using system wide sewer collection modeling software. Copyright © 2015 Elsevier Ltd. All rights reserved.

Moving bed reactor setup to study complex gas-solid reactions.

PubMed

Gupta, Puneet; Velazquez-Vargas, Luis G; Valentine, Charles; Fan, Liang-Shih

2007-08-01

A moving bed scale reactor setup for studying complex gas-solid reactions has been designed in order to obtain kinetic data for scale-up purpose. In this bench scale reactor setup, gas and solid reactants can be contacted in a cocurrent and countercurrent manner at high temperatures. Gas and solid sampling can be performed through the reactor bed with their composition profiles determined at steady state. The reactor setup can be used to evaluate and corroborate model parameters accounting for intrinsic reaction rates in both simple and complex gas-solid reaction systems. The moving bed design allows experimentation over a variety of gas and solid compositions in a single experiment unlike differential bed reactors where the gas composition is usually fixed. The data obtained from the reactor can also be used for direct scale-up of designs for moving bed reactors.

Ab Initio Simulation Beryllium in Solid Molecular Hydrogen: Elastic Constant

NASA Astrophysics Data System (ADS)

Guerrero, Carlo L.; Perlado, Jose M.

2016-03-01

In systems of inertial confinement fusion targets Deuterium-Tritium are manufactured with a solid layer, it must have specific properties to increase the efficiency of ignition. Currently there have been some proposals to model the phases of hydrogen isotopes and hence their high pressure, but these works do not allow explaining some of the structures present at the solid phase change effect of increased pressure. By means of simulation with first principles methods and Quantum Molecular Dynamics, we compare the structural difference of solid molecular hydrogen pure and solid molecular hydrogen with beryllium, watching beryllium inclusion in solid hydrogen matrix, we obtain several differences in mechanical properties, in particular elastic constants. For C11 the difference between hydrogen and hydrogen with beryllium is 37.56%. This may produce a non-uniform initial compression and decreased efficiency of ignition.

Solid Lubricants for Oil-Free Turbomachinery

NASA Technical Reports Server (NTRS)

DellaCorte, Christopher

2005-01-01

Recent breakthroughs in gas foil bearing solid lubricants and computer based modeling has enabled the development of revolulionary Oil-Free turbomachinery systems. These innovative new and solid lubricants at low speeds (start-up and shut down). Foil bearings are hydrodynamic, self acting fluid film bearings made from thin, flexible sheet metal foils. These thin foils trap a hydrodynamic lubricating air film between their surfaces and moving shaft surface. For low temperature applications, like ainrafl air cycle machines (ACM's), polymer coatings provide important solid lubrication during start-up and shut down prior to the development of the lubricating fluid film. The successful development of Oil-Free gas turbine engines requires bearings which can operate at much higher temperatures (greater than 300 C). To address this extreme solid lubrication need, NASA has invented a new family of compostie solid lubricant coatings, NASA PS300.

Environmental performance evaluation of large-scale municipal solid waste incinerators using data envelopment analysis.

PubMed

Chen, Ho-Wen; Chang, Ni-Bin; Chen, Jeng-Chung; Tsai, Shu-Ju

2010-07-01

Limited to insufficient land resources, incinerators are considered in many countries such as Japan and Germany as the major technology for a waste management scheme capable of dealing with the increasing demand for municipal and industrial solid waste treatment in urban regions. The evaluation of these municipal incinerators in terms of secondary pollution potential, cost-effectiveness, and operational efficiency has become a new focus in the highly interdisciplinary area of production economics, systems analysis, and waste management. This paper aims to demonstrate the application of data envelopment analysis (DEA)--a production economics tool--to evaluate performance-based efficiencies of 19 large-scale municipal incinerators in Taiwan with different operational conditions. A 4-year operational data set from 2002 to 2005 was collected in support of DEA modeling using Monte Carlo simulation to outline the possibility distributions of operational efficiency of these incinerators. Uncertainty analysis using the Monte Carlo simulation provides a balance between simplifications of our analysis and the soundness of capturing the essential random features that complicate solid waste management systems. To cope with future challenges, efforts in the DEA modeling, systems analysis, and prediction of the performance of large-scale municipal solid waste incinerators under normal operation and special conditions were directed toward generating a compromised assessment procedure. Our research findings will eventually lead to the identification of the optimal management strategies for promoting the quality of solid waste incineration, not only in Taiwan, but also elsewhere in the world. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hurtubise, R.J.

Interaction models were developed for moisture effects on room-temperature fluorescence (RTF) and room-temperature phosphorescence (RTP) of compounds adsorbed on filter paper. The models described both dynamic and matrix quenching and also related the Young modulus of filter paper to quenching of phosphor on moist filter paper. Photophysical parameters for lumiphors in solution and on solid matrices were compared. Results showed that for some compounds, solid-matrix luminescence has greater analytical potential than solution luminescence. Also, the solid-matrix systems into one of two categories depending on how the intersystem crossing rate constants change with temperature. The first study was carried out onmore » effects of heavy atom on solid-matrix luminescence. With some heavy atoms, maximum solid-matrix phosphorescence quantum yield was obtained at room temperature, and there was no need to use low temperature to obtain a strong phosphorescence signal. By studying solid-matrix luminescence properties of phosphors adsorbed on sodium acetate and deuterated sodium acetate, an interaction model was developed for p-aminobenzoic acid anion adsorbed on sodium acetate. It was shown that the energy-gap law was applicable to solid-matrix luminescence. Also, deuterated phenanthrene and undeuterated phenanthrene were used to study nonradiative transition of excited triplet state of adsorbed phosphors. Heat capacities of several solid matrices were obtained vs temperature and related to vibrational coupling of solid matrix with phosphor. Photophysical study was performed on the hydrolysis products of benzo(a)pyrene-DNA adducts. Also, an analytical method was developed for tetrols in human lung fractions. Work was initiated on the formation of room temperature glasses with glucose and trehalose. Also, work has begun for the development of an oxygen sensor by measuring the RTP quenching of triphenylene on filter paper.« less

The effect of the liquid-solid system properties on the interline heat transfer coefficient

NASA Technical Reports Server (NTRS)

Wayner, P. C., Jr.

1977-01-01

A theoretical procedure to determine the heat transfer characteristics of the interline region of an evaporating meniscus using the macroscopic optical and thermophysical properties of the system is outlined. The analysis is based on the premise that the interline transport processes are controlled by the London-van der Waals forces between condensed phases (solid and liquid). The procedure is used to compare the relative size of the interline heat sink of various systems using a constant heat flux model. This solution demonstrates the importance of the interline heat flow number which is evaluated for various systems. The heat transfer characteristics of the decane-steel system are numerically compared with those of the carbon tetrachloride-quartz system.

Analytical investigation of solid rocket nozzle failure

NASA Technical Reports Server (NTRS)

Mccoy, K. E.; Hester, J.

1985-01-01

On April 5, 1983, an Inertial Upper Stage (IUS) spacecraft experienced loss of control during the burn of the second of two solid rocket motors. The anomaly investigation showed the cause to be a malfunction of the solid rocket motor. This paper presents a description of the IUS system, a failure analysis summary, an account of the thermal testing and computer modeling done at Marshall Space Flight Center, a comparison of analysis results with thermal data obtained from motor static tests, and describes some of the design enhancement incorporated to prevent recurrence of the anomaly.

Modelling a suitable location for Urban Solid Waste Management using AHP method and GIS -A geospatial approach and MCDM Model

NASA Astrophysics Data System (ADS)

Iqbal, M.; Islam, A.; Hossain, A.; Mustaque, S.

2016-12-01

Multi-Criteria Decision Making(MCDM) is advanced analytical method to evaluate appropriate result or decision from multiple criterion environment. Present time in advanced research, MCDM technique is progressive analytical process to evaluate a logical decision from various conflict. In addition, Present day Geospatial approach (e.g. Remote sensing and GIS) also another advanced technical approach in a research to collect, process and analyze various spatial data at a time. GIS and Remote sensing together with the MCDM technique could be the best platform to solve a complex decision making process. These two latest process combined very effectively used in site selection for solid waste management in urban policy. The most popular MCDM technique is Weighted Linear Method (WLC) where Analytical Hierarchy Process (AHP) is another popular and consistent techniques used in worldwide as dependable decision making. Consequently, the main objective of this study is improving a AHP model as MCDM technique with Geographic Information System (GIS) to select a suitable landfill site for urban solid waste management. Here AHP technique used as a MCDM tool to select the best suitable landfill location for urban solid waste management. To protect the urban environment in a sustainable way municipal waste needs an appropriate landfill site considering environmental, geological, social and technical aspect of the region. A MCDM model generate from five class related which related to environmental, geological, social and technical using AHP method and input the result set in GIS for final model location for urban solid waste management. The final suitable location comes out that 12.2% of the area corresponds to 22.89 km2 considering the total study area. In this study, Keraniganj sub-district of Dhaka district in Bangladesh is consider as study area which is densely populated city currently undergoes an unmanaged waste management system especially the suitable landfill sites for waste dumping site.

Analysis of the acceleration region in a circulating fluidized bed riser operating above fast fluidization velocities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monazam, E.R.; Shadle, L.J.

2008-11-05

In commercial circulating fluidized bed (CFB) processes the acceleration zone greatly contributes to solids mixing, gas and solids dispersion, and particle residence times. A new analysis was developed to describe the relative gas-solids concentration in the acceleration region of a transport system with air as the fluidizing agent for Geldart-type B particles. A theoretical expression was derived from a drag relationship and momentum and continuity equations to describe the evolution of the gas-solids profile along the axial direction. The acceleration zone was characterized using nondimensional analysis of the continuum equations (balances of masses and momenta) that described multiphase flows. Inmore » addition to acceleration length, the boundary condition for the solids fraction at the bottom of the riser and the fully developed regions were measured using an industrial scale CFB of 0.3 m diameter and 15 m tall. The operating factors affecting the flow development in the acceleration region were determined for three materials of various sizes and densities in core annular and dilute regimes of the riser. Performance data were taken from statistically designed experiments over a wide range of Fr (0.5-39), Re (8-600), Ar (29-3600), load ratio (0.2-28), riser to particle diameter ratio (375-5000), and gas to solids density ratio (138-1381). In this one-dimensional system of equations, velocities and solid fractions were assumed to be constant over any cross section. The model and engineering correlations were compared with literature expressions to assess their validity and range of applicability. These expressions can be used as tools for simulation and design of a CFB riser and can also be easily coupled to a kinetics model for process simulation.« less

An interactive modeling program for the generation of planar polygons for boundary type solids representations of wire frame models

NASA Technical Reports Server (NTRS)

Ozsoy, T.; Ochs, J. B.

1984-01-01

The development of a general link between three dimensional wire frame models and rigid solid models is discussed. An interactive computer graphics program was developed to serve as a front end to an algorithm (COSMIC Program No. ARC-11446) which offers a general solution to the hidden line problem where the input data is either line segments of n-sided planar polygons of the most general type with internal boundaries. The program provides a general interface to CAD/CAM data bases and is implemented for models created on the Unigraphics VAX 11/780-based CAD/CAM systems with the display software written for DEC's VS11 color graphics devices.

JANNAF 35th Combustion Subcommittee Meeting. Volume 1

NASA Technical Reports Server (NTRS)

Fry, Ronald S. (Editor); Gannaway, Mary T. (Editor); Rognan, Melanie (Editor)

1998-01-01

Volume 1, the first of two volumes is a compilation of 63 unclassified/unlimited distribution technical papers presented at the 35th meeting of the Joint Army-Navy-NASA-Air Force (JANNAF) Combustion Subcommittee (CS) held jointly with the 17th Propulsion Systems Hazards Subcommittee (PSHS) and Airbreathing Propulsion Subcommittee (APS). The meeting was held on 7-11 December 1998 at Raytheon Systems Company and the Marriott Hotel, Tucson, AZ. Topics covered include solid gun propellant processing, ignition and combustion, charge concepts, barrel erosion and flash, gun interior ballistics, kinetics and molecular modeling, ETC gun modeling, simulation and diagnostics, and liquid gun propellant combustion; solid rocket motor propellant combustion, combustion instability fundamentals, motor instability, and measurement techniques; and liquid and hybrid rocket combustion.

Hybrid boosters for future launch vehicles

NASA Astrophysics Data System (ADS)

Dargies, E.; Lo, R. E.

1987-10-01

Hybrid rocket propulsion systems furnish the advantages of much higher safety levels, due both to shut-down capability in case of ignition failure to one unit and the potential choice of nontoxic propellant combinations, such as LOX/polyethylene; they nevertheless yield performance levels comparable or superior to those of solid rocket boosters. Attention is presently given to the results of DFVLR analytical model studies of hybrid propulsion systems, with attention to solid fuel grain geometrical design and propellant grain surface ablation rate. The safety of hybrid rockets recommends them for use by manned spacecraft.

A study of alternative methods for reclaiming oxygen from carbon dioxide and water by a solid-electrolyte process for spacecraft applications

NASA Technical Reports Server (NTRS)

1971-01-01

Two alternative technical approaches were studied for application of an electrochemical process using a solid oxide electrolyte (zirconia stabilized by yttria or scandia) to oxygen reclamation from carbon dioxide and water, for spacecraft life support systems. Among the topics considered are the advisability of proceeding to engineering prototype development and fabrication of a full scale model for the system concept, the optimum choice of method or approach to be carried into prototype development, and the technical problem areas which exist.

Surface-mediated nucleation in the solid-state polymorph transformation of terephthalic acid.

PubMed

Beckham, Gregg T; Peters, Baron; Starbuck, Cindy; Variankaval, Narayan; Trout, Bernhardt L

2007-04-18

A molecular mechanism for nucleation for the solid-state polymorph transformation of terephthalic acid is presented. New methods recently developed in our group, aimless shooting and likelihood maximization, are employed to construct a model for the reaction coordinate for the two system sizes studied. The reaction coordinate approximation is validated using the committor probability analysis. The transformation proceeds via a localized, elongated nucleus along the crystal edge formed by fluctuations in the supramolecular synthons, suggesting a nucleation and growth mechanism in the macroscopic system.

Prediction of crosslink density of solid propellant binders. [curing of elastomers

NASA Technical Reports Server (NTRS)

Marsh, H. E., Jr.

1976-01-01

A quantitative theory is outlined which allows calculation of crosslink density of solid propellant binders from a small number of predetermined parameters such as the binder composition, the functionality distributions of the ingredients, and the extent of the curing reaction. The parameter which is partly dependent on process conditions is the extent of reaction. The proposed theoretical model is verified by independent measurement of effective chain concentration and sol and gel fractions in simple compositions prepared from model compounds. The model is shown to correlate tensile data with composition in the case of urethane-cured polyether and certain solid propellants. A formula for the branching coefficient is provided according to which if one knows the functionality distributions of the ingredients and the corresponding equivalent weights and can measure or predict the extent of reaction, he can calculate the branching coefficient of such a system for any desired composition.

Investigation of process temperature and screw speed on properties of a pharmaceutical solid dispersion using corotating and counter-rotating twin-screw extruders.

PubMed

Keen, Justin M; Martin, Charlie; Machado, Augie; Sandhu, Harpreet; McGinity, James W; DiNunzio, James C

2014-02-01

The use of corotating twin screw hot-melt extruders to prepare amorphous drug/polymer systems has become commonplace. As small molecule drug candidates exiting discovery pipelines trend towards higher MW and become more structurally complicated, the acceptable operating space shifts below the drug melting point. The objective of this research is to investigate the extrusion process space, which should be selected to ensure that the drug is solubilized in the polymer with minimal thermal exposure, is critical in ensuring the performance, stability and purity of the solid dispersion. The properties of a model solid dispersion were investigated using both corotating and counter-rotating hot-melt twin-screw extruders operated at various temperatures and screw speeds. The solid state and dissolution performance of the resulting solid dispersions was investigated and evaluated in context of thermodynamic predictions from Flory-Huggins Theory. In addition, the residence time distributions were measured using a tracer, modelled and characterized. The amorphous content in the resulting solid dispersions was dependent on the combination of screw speed, temperature and operating mode. The counter-rotating extruder was observed to form amorphous solid dispersions at a slightly lower temperature and with a narrower residence time distribution, which also exhibited a more desirable shape. © 2013 Royal Pharmaceutical Society.

Theoretical performance of hydrogen-bromine rechargeable SPE fuel cell. [Solid Polymer Electrolyte

NASA Technical Reports Server (NTRS)

Savinell, R. F.; Fritts, S. D.

1988-01-01

A mathematical model was formulated to describe the performance of a hydrogen-bromine fuel cell. Porous electrode theory was applied to the carbon felt flow-by electrode and was coupled to theory describing the solid polymer electrolyte (SPE) system. Parametric studies using the numerical solution to this model were performed to determine the effect of kinetic, mass transfer, and design parameters on the performance of the fuel cell. The results indicate that the cell performance is most sensitive to the transport properties of the SPE membrane. The model was also shown to be a useful tool for scale-up studies.

The critical boundary RSOS M(3,5) model

NASA Astrophysics Data System (ADS)

El Deeb, O.

2017-12-01

We consider the critical nonunitary minimal model M(3, 5) with integrable boundaries and analyze the patterns of zeros of the eigenvalues of the transfer matrix and then determine the spectrum of the critical theory using the thermodynamic Bethe ansatz ( TBA) equations. Solving the TBA functional equation satisfied by the transfer matrices of the associated A 4 restricted solid-on-solid Forrester-Baxter lattice model in regime III in the continuum scaling limit, we derive the integral TBA equations for all excitations in the ( r, s) = (1, 1) sector and then determine their corresponding energies. We classify the excitations in terms of ( m, n) systems.

The Delta launch vehicle Model 2914 series

NASA Technical Reports Server (NTRS)

Gunn, C. R.

1973-01-01

Description of a new, medium-class Delta launch-vehicle configuration, the three-stage Model 2914. The first stage of this vehicle is composed of a liquid-propellant core which is thrust-augmented with up to nine strap-on solid-propellant motors. The second stage, recently uprated with a strap-down inertial guidance system, is now being modified to adapt the liquid-propellant descent engine from the Apollo Lunar Excursion Module. The third stage is a spin-stabilized solid-propellant motor. The Model 2914 is capable of injecting 2040 kg into low earth orbit, 705 kg into geosynchronous transfer orbit, or 455 kg into an escape trajectory.

Conceptual design and feasibility evaluation model of a 10 to the 8th power bit oligatomic mass memory. Volume 2: Feasibility evaluation model

NASA Technical Reports Server (NTRS)

Horst, R. L.; Nordstrom, M. J.

1972-01-01

The partially populated oligatomic mass memory feasibility model is described and evaluated. A system was desired to verify the feasibility of the oligatomic (mirror) memory approach as applicable to large scale solid state mass memories.

Modeling Total Suspended Solids (TSS) Concentrations in Narragansett Bay.

EPA Science Inventory

This work covers mechanistic modeling of suspended particulates in estuarine systems with an application to Narragansett Bay, RI. Suspended particles directly affect water clarity and attenuate light in the water column. Water clarity affects both phytoplankton and submerged aqua...

A poroplastic model of structural reorganisation in porous media of biomechanical interest

NASA Astrophysics Data System (ADS)

Grillo, Alfio; Prohl, Raphael; Wittum, Gabriel

2016-03-01

We present a poroplastic model of structural reorganisation in a binary mixture comprising a solid and a fluid phase. The solid phase is the macroscopic representation of a deformable porous medium, which exemplifies the matrix of a biological system (consisting e.g. of cells, extracellular matrix, collagen fibres). The fluid occupies the interstices of the porous medium and is allowed to move throughout it. The system reorganises its internal structure in response to mechanical stimuli. Such structural reorganisation, referred to as remodelling, is described in terms of "plastic" distortions, whose evolution is assumed to obey a phenomenological flow rule driven by stress. We study the influence of remodelling on the mechanical and hydraulic behaviour of the system, showing how the plastic distortions modulate the flow pattern of the fluid, and the distributions of pressure and stress inside it. To accomplish this task, we solve a highly nonlinear set of model equations by elaborating a previously developed numerical procedure, which is implemented in a non-commercial finite element solver.

Density-matrix based determination of low-energy model Hamiltonians from ab initio wavefunctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Changlani, Hitesh J.; Zheng, Huihuo; Wagner, Lucas K.

2015-09-14

We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body density matrices and energies of the ground and excited states, and thus we refer to the method as ab initio density matrix based downfolding. For benzene (a finite system), we find good agreement with experimentally available energy gaps without using any experimental inputs. For graphene, a two dimensional solid (extended system) with periodic boundary conditions, we find the effective on-site Hubbard U{sup ∗}/t tomore » be 1.3 ± 0.2, comparable to a recent estimate based on the constrained random phase approximation. For molecules, such parameterizations enable calculation of excited states that are usually not accessible within ground state approaches. For solids, the effective Hamiltonian enables large-scale calculations using techniques designed for lattice models.« less

Nanoscale science and engineering forum (706c) design of solid lipid particles with iron oxide quantum dots for the delivery of therapeutic agents

USDA-ARS?s Scientific Manuscript database

Solid lipid particles provide a method to encapsulate and control the release of drugs in vivo but lack the imaging capability provided by CdS quantum dots. This shortcoming was addressed by combining these two technologies into a model system that uses iron oxide as a non-toxic imaging component in...

Basic Research Needs for Electrical Energy Storage. Report of the Basic Energy Sciences Workshop on Electrical Energy Storage, April 2-4, 2007

DOE R&D Accomplishments Database

Goodenough, J. B.; Abruna, H. D.; Buchanan, M. V.

2007-04-04

To identify research areas in geosciences, such as behavior of multiphase fluid-solid systems on a variety of scales, chemical migration processes in geologic media, characterization of geologic systems, and modeling and simulation of geologic systems, needed for improved energy systems.

A deformable surface model for real-time water drop animation.

PubMed

Zhang, Yizhong; Wang, Huamin; Wang, Shuai; Tong, Yiying; Zhou, Kun

2012-08-01

A water drop behaves differently from a large water body because of its strong viscosity and surface tension under the small scale. Surface tension causes the motion of a water drop to be largely determined by its boundary surface. Meanwhile, viscosity makes the interior of a water drop less relevant to its motion, as the smooth velocity field can be well approximated by an interpolation of the velocity on the boundary. Consequently, we propose a fast deformable surface model to realistically animate water drops and their flowing behaviors on solid surfaces. Our system efficiently simulates water drop motions in a Lagrangian fashion, by reducing 3D fluid dynamics over the whole liquid volume to a deformable surface model. In each time step, the model uses an implicit mean curvature flow operator to produce surface tension effects, a contact angle operator to change droplet shapes on solid surfaces, and a set of mesh connectivity updates to handle topological changes and improve mesh quality over time. Our numerical experiments demonstrate a variety of physically plausible water drop phenomena at a real-time rate, including capillary waves when water drops collide, pinch-off of water jets, and droplets flowing over solid materials. The whole system performs orders-of-magnitude faster than existing simulation approaches that generate comparable water drop effects.

Uncertainty in solid precipitation and snow depth prediction for Siberia using the Noah and Noah-MP land surface models

NASA Astrophysics Data System (ADS)

Suzuki, Kazuyoshi; Zupanski, Milija

2018-01-01

In this study, we investigate the uncertainties associated with land surface processes in an ensemble predication context. Specifically, we compare the uncertainties produced by a coupled atmosphere-land modeling system with two different land surface models, the Noah- MP land surface model (LSM) and the Noah LSM, by using the Maximum Likelihood Ensemble Filter (MLEF) data assimilation system as a platform for ensemble prediction. We carried out 24-hour prediction simulations in Siberia with 32 ensemble members beginning at 00:00 UTC on 5 March 2013. We then compared the model prediction uncertainty of snow depth and solid precipitation with observation-based research products and evaluated the standard deviation of the ensemble spread. The prediction skill and ensemble spread exhibited high positive correlation for both LSMs, indicating a realistic uncertainty estimation. The inclusion of a multiple snowlayer model in the Noah-MP LSM was beneficial for reducing the uncertainties of snow depth and snow depth change compared to the Noah LSM, but the uncertainty in daily solid precipitation showed minimal difference between the two LSMs. The impact of LSM choice in reducing temperature uncertainty was limited to surface layers of the atmosphere. In summary, we found that the more sophisticated Noah-MP LSM reduces uncertainties associated with land surface processes compared to the Noah LSM. Thus, using prediction models with improved skill implies improved predictability and greater certainty of prediction.

The Effects of Polymer Carrier, Hot Melt Extrusion Process and Downstream Processing Parameters on the Moisture Sorption Properties of Amorphous Solid Dispersions

PubMed Central

Feng, Xin; Vo, Anh; Patil, Hemlata; Tiwari, Roshan V.; Alshetaili, Abdullah S.; Pimparade, Manjeet B.; Repka, Michael A.

2017-01-01

Objective The aim of this study was to evaluate the effect of polymer carrier, hot melt extrusion (HME) and downstream processing parameters on the water uptake properties of amorphous solid dispersions. Methods Three polymers and a model drug were used to prepare amorphous solid dispersions utilizing HME technology. The sorption-desorption isotherms of solid dispersions and their physical mixtures were measured by the Dynamic Vapor Sorption system, and the effect of polymer hydrophobicity, hygroscopicity, molecular weight and the HME process were investigated. FTIR imaging was performed to understand the phase separation driven by the moisture. Key findings Solid dispersions with polymeric carriers with lower hydrophilicity, hygroscopicity, and higher molecular weight could sorb less moisture under the high RH conditions. The water uptake ability of polymer-drug solid dispersion systems were decreased compared to the physical mixture after HME, which might be due to the decreased surface area and porosity. The FTIR imaging indicated the homogeneity of the drug molecularly dispersed within the polymer matrix was changed after exposure to high RH. Conclusion Understanding the effect of formulation and processing on the moisture sorption properties of solid dispersions is essential for the development of drug products with desired physical and chemical stability. PMID:26589107

Finite element analysis of the effect of a non-planar solid-liquid interface on the lateral solute segregation during unidirectional solidification

NASA Technical Reports Server (NTRS)

Carlson, F. M.; Chin, L.-Y.; Fripp, A. L.; Crouch, R. K.

1982-01-01

The effect of solid-liquid interface shape on lateral solute segregation during steady-state unidirectional solidification of a binary mixture is calculated under the assumption of no convection in the liquid. A finite element technique is employed to compute the concentration field in the liquid and the lateral segregation in the solid with a curved boundary between the liquid and solid phases. The computational model is constructed assuming knowledge of the solid-liquid interface shape; no attempt is made to relate this shape to the thermal field. The influence of interface curvature on the lateral compositional variation is investigated over a range of system parameters including diffusivity, growth speed, distribution coefficient, and geometric factors of the system. In the limiting case of a slightly nonplanar interface, numerical results from the finite element technique are in good agreement with the analytical solutions of Coriell and Sekerka obtained by using linear theory. For the general case of highly non-planar interface shapes, the linear theory fails and the concentration field in the liquid as well as the lateral solute segregation in the solid can be calculated by using the finite element method.

The Unitary Plan Wind Tunnel(UPWT) Test 1891 Space Launch System

NASA Image and Video Library

2014-10-15

Stage Separation Test of the Space Launch System(SLS) in the Langley Unitary Plan Wind Tunnel (UPWT). The model used High Pressure air blown through the solid rocket boosters. (SRB) to simulate the booster separation motors (BSM) firing.

The Unitary Plan Wind Tunnel(UPWT) Test 1891 Space Launch System

NASA Image and Video Library

2014-10-14

Stage Separation Test of the Space Launch System(SLS) in the Langley Unitary Plan Wind Tunnel (UPWT). The model used High Pressure air blown through the solid rocket boosters. (SRB) to simulate the booster separation motors (BSM) firing.

Modeling of thermal expansion coefficient of perovskite oxide for solid oxide fuel cell cathode

NASA Astrophysics Data System (ADS)

Heydari, F.; Maghsoudipour, A.; Alizadeh, M.; Khakpour, Z.; Javaheri, M.

2015-09-01

Artificial intelligence models have the capacity to eliminate the need for expensive experimental investigation in various areas of manufacturing processes, including the material science. This study investigates the applicability of adaptive neuro-fuzzy inference system (ANFIS) approach for modeling the performance parameters of thermal expansion coefficient (TEC) of perovskite oxide for solid oxide fuel cell cathode. Oxides (Ln = La, Nd, Sm and M = Fe, Ni, Mn) have been prepared and characterized to study the influence of the different cations on TEC. Experimental results have shown TEC decreases favorably with substitution of Nd3+ and Mn3+ ions in the lattice. Structural parameters of compounds have been determined by X-ray diffraction, and field emission scanning electron microscopy has been used for the morphological study. Comparison results indicated that the ANFIS technique could be employed successfully in modeling thermal expansion coefficient of perovskite oxide for solid oxide fuel cell cathode, and considerable savings in terms of cost and time could be obtained by using ANFIS technique.

Fast intersection detection algorithm for PC-based robot off-line programming

NASA Astrophysics Data System (ADS)

Fedrowitz, Christian H.

1994-11-01

This paper presents a method for fast and reliable collision detection in complex production cells. The algorithm is part of the PC-based robot off-line programming system of the University of Siegen (Ropsus). The method is based on a solid model which is managed by a simplified constructive solid geometry model (CSG-model). The collision detection problem is divided in two steps. In the first step the complexity of the problem is reduced in linear time. In the second step the remaining solids are tested for intersection. For this the Simplex algorithm, which is known from linear optimization, is used. It computes a point which is common to two convex polyhedra. The polyhedra intersect, if such a point exists. Regarding the simplified geometrical model of Ropsus the algorithm runs also in linear time. In conjunction with the first step a resultant collision detection algorithm is found which requires linear time in all. Moreover it computes the resultant intersection polyhedron using the dual transformation.

Automatic programming of arc welding robots

NASA Astrophysics Data System (ADS)

Padmanabhan, Srikanth

Automatic programming of arc welding robots requires the geometric description of a part from a solid modeling system, expert weld process knowledge and the kinematic arrangement of the robot and positioner automatically. Current commercial solid models are incapable of storing explicitly product and process definitions of weld features. This work presents a paradigm to develop a computer-aided engineering environment that supports complete weld feature information in a solid model and to create an automatic programming system for robotic arc welding. In the first part, welding features are treated as properties or attributes of an object, features which are portions of the object surface--the topological boundary. The structure for representing the features and attributes is a graph called the Welding Attribute Graph (WAGRAPH). The method associates appropriate weld features to geometric primitives, adds welding attributes, and checks the validity of welding specifications. A systematic structure is provided to incorporate welding attributes and coordinate system information in a CSG tree. The specific implementation of this structure using a hybrid solid modeler (IDEAS) and an object-oriented programming paradigm is described. The second part provides a comprehensive methodology to acquire and represent weld process knowledge required for the proper selection of welding schedules. A methodology of knowledge acquisition using statistical methods is proposed. It is shown that these procedures did little to capture the private knowledge of experts (heuristics), but helped in determining general dependencies, and trends. A need was established for building the knowledge-based system using handbook knowledge and to allow the experts further to build the system. A methodology to check the consistency and validity for such knowledge addition is proposed. A mapping shell designed to transform the design features to application specific weld process schedules is described. A new approach using fixed path modified continuation methods is proposed in the final section to plan continuously the trajectory of weld seams in an integrated welding robot and positioner environment. The joint displacement, velocity, and acceleration histories all along the path as a function of the path parameter for the best possible welding condition are provided for the robot and the positioner to track various paths normally encountered in arc welding.

Life-cycle assessment of municipal solid waste management alternatives with consideration of uncertainty: SIWMS development and application.

PubMed

Hanandeh, Ali El; El-Zein, Abbas

2010-05-01

This paper describes the development and application of the Stochastic Integrated Waste Management Simulator (SIWMS) model. SIWMS provides a detailed view of the environmental impacts and associated costs of municipal solid waste (MSW) management alternatives under conditions of uncertainty. The model follows a life-cycle inventory approach extended with compensatory systems to provide more equitable bases for comparing different alternatives. Economic performance is measured by the net present value. The model is verified against four publicly available models under deterministic conditions and then used to study the impact of uncertainty on Sydney's MSW management 'best practices'. Uncertainty has a significant effect on all impact categories. The greatest effect is observed in the global warming category where a reversal of impact direction is predicted. The reliability of the system is most sensitive to uncertainties in the waste processing and disposal. The results highlight the importance of incorporating uncertainty at all stages to better understand the behaviour of the MSW system. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Contact angle of sessile drops in Lennard-Jones systems.

PubMed

Becker, Stefan; Urbassek, Herbert M; Horsch, Martin; Hasse, Hans

2014-11-18

Molecular dynamics simulations are used for studying the contact angle of nanoscale sessile drops on a planar solid wall in a system interacting via the truncated and shifted Lennard-Jones potential. The entire range between total wetting and dewetting is investigated by varying the solid-fluid dispersive interaction energy. The temperature is varied between the triple point and the critical temperature. A correlation is obtained for the contact angle in dependence of the temperature and the dispersive interaction energy. Size effects are studied by varying the number of fluid particles at otherwise constant conditions, using up to 150,000 particles. For particle numbers below 10,000, a decrease of the contact angle is found. This is attributed to a dependence of the solid-liquid surface tension on the droplet size. A convergence to a constant contact angle is observed for larger system sizes. The influence of the wall model is studied by varying the density of the wall. The effective solid-fluid dispersive interaction energy at a contact angle of θ = 90° is found to be independent of temperature and to decrease linearly with the solid density. A correlation is developed that describes the contact angle as a function of the dispersive interaction, the temperature, and the solid density. The density profile of the sessile drop and the surrounding vapor phase is described by a correlation combining a sigmoidal function and an oscillation term.

Thermodynamic Modeling of the YO(l.5)-ZrO2 System

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Liu, Zi-Kui; Kaufman, Larry; Zhang, Fan

2003-01-01

The YO1.5-ZrO2 system consists of five solid solutions, one liquid solution, and one intermediate compound. A thermodynamic description of this system is developed, which allows calculation of the phase diagram and thermodynamic properties. Two different solution models are used-a neutral species model with YO1.5 and ZrO2 as the components and a charged species model with Y(+3), Zr(+4), O(-2), and vacancies as components. For each model, regular and sub-regular solution parameters are derived fiom selected equilibrium phase and thermodynamic data.

Analysis and performance assessment of a new solar-based multigeneration system integrated with ammonia fuel cell and solid oxide fuel cell-gas turbine combined cycle

NASA Astrophysics Data System (ADS)

Siddiqui, Osamah; Dincer, Ibrahim

2017-12-01

In the present study, a new solar-based multigeneration system integrated with an ammonia fuel cell and solid oxide fuel cell-gas turbine combined cycle to produce electricity, hydrogen, cooling and hot water is developed for analysis and performance assessment. In this regard, thermodynamic analyses and modeling through both energy and exergy approaches are employed to assess and evaluate the overall system performance. Various parametric studies are conducted to study the effects of varying system parameters and operating conditions on the energy and exergy efficiencies. The results of this study show that the overall multigeneration system energy efficiency is obtained as 39.1% while the overall system exergy efficiency is calculated as 38.7%, respectively. The performance of this multigeneration system results in an increase of 19.3% in energy efficiency as compared to single generation system. Furthermore, the exergy efficiency of the multigeneration system is 17.8% higher than the single generation system. Moreover, both energy and exergy efficiencies of the solid oxide fuel cell-gas turbine combined cycle are determined as 68.5% and 55.9% respectively.

Lightning tests and analyses of tunnel bond straps and shielded cables on the Space Shuttle solid rocket booster

NASA Technical Reports Server (NTRS)

Druen, William M.

1993-01-01

The purposes of the tests and analyses described in this report are as follows: (1) determine the lightning current survivability of five alternative changed designs of the bond straps which electrically bond the solid rocket booster (SRB) systems tunnel to the solid rocket motor (SRM) case; (2) determine the amount of reduction in induced voltages on operational flight (OF) tunnel cables obtained by a modified design of tunnel bond straps (both tunnel cover-to-cover and cover-to-motor case); (3) determine the contribution of coupling to the OF tunnel cables by ground electrical and instrumentation (GEI) cables which enter the systems tunnel from unshielded areas on the surfaces of the motor case; and (4) develop a model (based on test data) and calculate the voltage levels at electronic 'black boxes' connected to the OF cables that run in the systems tunnel.

Solid propulsion advanced concepts

NASA Technical Reports Server (NTRS)

Nakamura, Y.; Shafer, J. I.

1972-01-01

The feasibility and application of a solid propulsion powered spacecraft concept to implement high energy missions independent of multiplanetary swingby opportunities are assessed and recommendations offered for future work. An upper stage, solid propulsion launch vehicle augmentation system was selected as the baseline configuration in view of the established program goals of low cost and high reliability. Spacecraft and propulsion system data that characterize mission performance capabilities were generated to serve as the basis for subsequent tradeoff studies. A cost effectiveness model was used for the preliminary feasibility assessment to provide a meaningful comparative effectiveness measure of the various candidate designs. The results substantiated the feasibility of the powered spacecraft concept when used in conjunction with several intermediate-sized launch vehicles as well as the existence of energy margins by which to exploit the attainment of extended mission capabilities. Additionally, in growth option applications, the employment of advanced propulsion systems and alternate spacecraft approaches appear promising.

A COMPARATIVE RISK REDUCTION ANALYSIS OF THE OFFICE OF SOLID WASTE'S WASTE MINIMIZATION PRIORITY CHEMICALS INITIATIVE USING THE 3MRA MULTIMEDIA MODELING SYSTEM

EPA Science Inventory

A study was initiated by the EPA/ORD National Exposure Research Lab (NERL) in FY05 to quantify risk reduction resulting from this national EPA initiative to reduce WMPC disposal. Using the 3MRA modeling system, which was recommended for use by the EPA Science Advisory Board for ...

A preliminary investigation of the growth of an aneurysm with a multiscale monolithic Fluid-Structure interaction solver

NASA Astrophysics Data System (ADS)

Cerroni, D.; Manservisi, S.; Pozzetti, G.

2015-11-01

In this work we investigate the potentialities of multi-scale engineering techniques to approach complex problems related to biomedical and biological fields. In particular we study the interaction between blood and blood vessel focusing on the presence of an aneurysm. The study of each component of the cardiovascular system is very difficult due to the fact that the movement of the fluid and solid is determined by the rest of system through dynamical boundary conditions. The use of multi-scale techniques allows us to investigate the effect of the whole loop on the aneurysm dynamic. A three-dimensional fluid-structure interaction model for the aneurysm is developed and coupled to a mono-dimensional one for the remaining part of the cardiovascular system, where a point zero-dimensional model for the heart is provided. In this manner it is possible to achieve rigorous and quantitative investigations of the cardiovascular disease without loosing the system dynamic. In order to study this biomedical problem we use a monolithic fluid-structure interaction (FSI) model where the fluid and solid equations are solved together. The use of a monolithic solver allows us to handle the convergence issues caused by large deformations. By using this monolithic approach different solid and fluid regions are treated as a single continuum and the interface conditions are automatically taken into account. In this way the iterative process characteristic of the commonly used segregated approach, it is not needed any more.

A Theoretical Solid Oxide Fuel Cell Model for Systems Controls and Stability Design

NASA Technical Reports Server (NTRS)

Kopasakis, George; Brinson, Thomas; Credle, Sydni

2008-01-01

As the aviation industry moves toward higher efficiency electrical power generation, all electric aircraft, or zero emissions and more quiet aircraft, fuel cells are sought as the technology that can deliver on these high expectations. The hybrid solid oxide fuel cell system combines the fuel cell with a micro-turbine to obtain up to 70% cycle efficiency, and then distributes the electrical power to the loads via a power distribution system. The challenge is to understand the dynamics of this complex multidiscipline system and the design distributed controls that take the system through its operating conditions in a stable and safe manner while maintaining the system performance. This particular system is a power generation and a distribution system, and the fuel cell and micro-turbine model fidelity should be compatible with the dynamics of the power distribution system in order to allow proper stability and distributed controls design. The novelty in this paper is that, first, the case is made why a high fidelity fuel cell mode is needed for systems control and stability designs. Second, a novel modeling approach is proposed for the fuel cell that will allow the fuel cell and the power system to be integrated and designed for stability, distributed controls, and other interface specifications. This investigation shows that for the fuel cell, the voltage characteristic should be modeled but in addition, conservation equation dynamics, ion diffusion, charge transfer kinetics, and the electron flow inherent impedance should also be included.

Some useful innovations with TRASYS and SINDA-85

NASA Technical Reports Server (NTRS)

Amundsen, Ruth M.

1993-01-01

Several innovative methods were used to allow more efficient and accurate thermal analysis using SINDA-85 and TRASYS, including model integration and reduction, planetary surface calculations, and model animation. Integration with other modeling and analysis codes allows an analyst to import a geometry from a solid modeling or computer-aided design (CAD) software package, rather than building the geometry 'by hand.' This is more efficient as well as potentially more accurate. However, the use of solid modeling software often generates large analytical models. The problem of reducing large models was elegantly solved using the response of the transient derivative to a forcing step function. The thermal analysis of a lunar rover implemented two unusual features of the TRASYS/SINDA system. A little-known TRASYS routine SURFP calculates the solar heating of a rover on the lunar surface for several different rover positions and orientations. This is used not only to determine the rover temperatures, but also to automatically determine the power generated by the solar arrays. The animation of transient thermal results is an effective tool, especially in a vivid case such as the 14-day progress of the sun over the lunar rover. An animated color map on the solid model displays the progression of temperatures.

Numerical Simulation of Combustion and Extinction of a Solid Cylinder in Low-Speed Cross Flow

NASA Technical Reports Server (NTRS)

Tien, J. S.; Yang, Chin Tien

1998-01-01

The combustion and extinction behavior of a diffusion flame around a solid fuel cylinder (PMMA) in low-speed forced flow in zero gravity was studied numerically using a quasi-steady gas phase model. This model includes two-dimensional continuity, full Navier Stokes' momentum, energy, and species equations with a one-step overall chemical reaction and second-order finite-rate Arrhenius kinetics. Surface radiation and Arrhenius pyrolysis kinetics are included on the solid fuel surface description and a parameter Phi, representing the percentage of gas-phase conductive heat flux going into the solid, is introduced into the interfacial energy balance boundary condition to complete the description for the quasi-steady gas-phase system. The model was solved numerically using a body-fitted coordinate transformation and the SIMPLE algorithm. The effects of varying freestream velocity and Phi were studied. These parameters have a significant effect on the flame structure and extinction limits. Two flame modes were identified: envelope flame and wake flame. Two kinds of flammability limits were found: quenching at low-flow speeds due to radiative loss and blow-off at high flow speeds due to insufficient gas residence time. A flammability map was constructed showing the existence of maximum Phi above which the solid is not flammable at any freestream velocity.

Grain size distribution in sheared polycrystals

NASA Astrophysics Data System (ADS)

Sarkar, Tanmoy; Biswas, Santidan; Chaudhuri, Pinaki; Sain, Anirban

2017-12-01

Plastic deformation in solids induced by external stresses is of both fundamental and practical interest. Using both phase field crystal modeling and molecular dynamics simulations, we study the shear response of monocomponent polycrystalline solids. We subject mesocale polycrystalline samples to constant strain rates in a planar Couette flow geometry for studying its plastic flow, in particular its grain deformation dynamics. As opposed to equilibrium solids where grain dynamics is mainly driven by thermal diffusion, external stress/strain induce a much higher level of grain deformation activity in the form of grain rotation, coalescence, and breakage, mediated by dislocations. Despite this, the grain size distribution of this driven system shows only a weak power-law correction to its equilibrium log-normal behavior. We interpret the grain reorganization dynamics using a stochastic model.

Application of the PM6 method to modeling the solid state

PubMed Central

2008-01-01

The applicability of the recently developed PM6 method for modeling various properties of a wide range of organic and inorganic crystalline solids has been investigated. Although the geometries of most systems examined were reproduced with good accuracy, severe errors were found in the predicted structures of a small number of solids. The origin of these errors was investigated, and a strategy for improving the method proposed. Figure Detail of Structure of Dihydrogen Phosphate in KH2PO4 (upper pair) and in (CH3)4NH2PO4. (Footnote): X-ray structures on left, PM6 structure on right. Electronic supplementary material The online version of this article (doi:10.1007/s00894-008-0299-7) contains supplementary material, which is available to authorized users. PMID:18449579

An afterburner-powered methane/steam reformer for a solid oxide fuel cells application

NASA Astrophysics Data System (ADS)

Mozdzierz, Marcin; Chalusiak, Maciej; Kimijima, Shinji; Szmyd, Janusz S.; Brus, Grzegorz

2018-04-01

Solid oxide fuel cell (SOFC) systems can be fueled by natural gas when the reforming reaction is conducted in a stack. Due to its maturity and safety, indirect internal reforming is usually used. A strong endothermic methane/steam reforming process needs a large amount of heat, and it is convenient to provide thermal energy by burning the remainders of fuel from a cell. In this work, the mathematical model of afterburner-powered methane/steam reformer is proposed. To analyze the effect of a fuel composition on SOFC performance, the zero-dimensional model of a fuel cell connected with a reformer is formulated. It is shown that the highest efficiency of a solid oxide fuel cell is achieved when the steam-to-methane ratio at the reforming reactor inlet is high.

Feasibility study of solid oxide fuel cell engines integrated with sprinter gas turbines: Modeling, design and control

NASA Astrophysics Data System (ADS)

Jia, Zhenzhong; Sun, Jing; Dobbs, Herb; King, Joel

2015-02-01

Conventional recuperating solid oxide fuel cell (SOFC)/gas turbine (GT) system suffers from its poor dynamic capability and load following performance. To meet the fast, safe and efficient load following requirements for mobile applications, a sprinter SOFC/GT system concept is proposed in this paper. In the proposed system, an SOFC stack operating at fairly constant temperature provides the baseline power with high efficiency while the fast dynamic capability of the GT-generator is fully explored for fast dynamic load following. System design and control studies have been conducted by using an SOFC/GT system model consisting of experimentally-verified component models. In particular, through analysis of the steady-state simulation results, an SOFC operation strategy is proposed to maintain fairly constant SOFC power (less than 2% power variation) and temperature (less than 2 K temperature variation) over the entire load range. A system design procedure well-suited to the proposed system has also been developed to help determining component sizes and the reference steady-state operation line. In addition, control analysis has been studied for both steady-state and transient operations. Simulation results suggest that the proposed system holds the promise to achieve fast and safe transient operations by taking full advantage of the fast dynamics of the GT-generator.

Dynamic modeling and evaluation of solid oxide fuel cell - combined heat and power system operating strategies

NASA Astrophysics Data System (ADS)

Nanaeda, Kimihiro; Mueller, Fabian; Brouwer, Jacob; Samuelsen, Scott

Operating strategies of solid oxide fuel cell (SOFC) combined heat and power (CHP) systems are developed and evaluated from a utility, and end-user perspective using a fully integrated SOFC-CHP system dynamic model that resolves the physical states, thermal integration and overall efficiency of the system. The model can be modified for any SOFC-CHP system, but the present analysis is applied to a hotel in southern California based on measured electric and heating loads. Analysis indicates that combined heat and power systems can be operated to benefit both the end-users and the utility, providing more efficient electric generation as well as grid ancillary services, namely dispatchable urban power. Design and operating strategies considered in the paper include optimal sizing of the fuel cell, thermal energy storage to dispatch heat, and operating the fuel cell to provide flexible grid power. Analysis results indicate that with a 13.1% average increase in price-of-electricity (POE), the system can provide the grid with a 50% operating range of dispatchable urban power at an overall thermal efficiency of 80%. This grid-support operating mode increases the operational flexibility of the SOFC-CHP system, which may make the technology an important utility asset for accommodating the increased penetration of intermittent renewable power.

Modeling of Solid State Transformer for the FREEDM System Demonstration

NASA Astrophysics Data System (ADS)

Jiang, Youyuan

The Solid State Transformer (SST) is an essential component in the FREEDM system. This research focuses on the modeling of the SST and the controller hardware in the loop (CHIL) implementation of the SST for the support of the FREEDM system demonstration. The energy based control strategy for a three-stage SST is analyzed and applied. A simplified average model of the three-stage SST that is suitable for simulation in real time digital simulator (RTDS) has been developed in this study. The model is also useful for general time-domain power system analysis and simulation. The proposed simplified av-erage model has been validated in MATLAB and PLECS. The accuracy of the model has been verified through comparison with the cycle-by-cycle average (CCA) model and de-tailed switching model. These models are also implemented in PSCAD, and a special strategy to implement the phase shift modulation has been proposed to enable the switching model simulation in PSCAD. The implementation of the CHIL test environment of the SST in RTDS is described in this report. The parameter setup of the model has been discussed in detail. One of the dif-ficulties is the choice of the damping factor, which is revealed in this paper. Also the grounding of the system has large impact on the RTDS simulation. Another problem is that the performance of the system is highly dependent on the switch parameters such as voltage and current ratings. Finally, the functionalities of the SST have been realized on the platform. The distributed energy storage interface power injection and reverse power flow have been validated. Some limitations are noticed and discussed through the simulation on RTDS.

Dynamic analysis of a circulating fluidized bed riser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Panday, Rupen; Shadle, Lawrence J.; Guenther, Chris

2012-01-01

A linear state model is proposed to analyze dynamic behavior of a circulating fluidized bed riser. Different operating regimes were attained with high density polyethylene beads at low and high system inventories. The riser was operated between the classical choking velocity and the upper transport velocity demarcating fast fluidized and transport regimes. At a given riser superficial gas velocity, the aerations fed at the standpipe were modulated resulting in a sinusoidal solids circulation rate that goes into the riser via L-valve. The state model was derived based on the mass balance equation in the riser. It treats the average solidsmore » fraction across the entire riser as a state variable. The total riser pressure drop was modeled using Newton’s second law of motion. The momentum balance equation involves contribution from the weight of solids and the wall friction caused by the solids to the riser pressure drop. The weight of solids utilizes the state variable and hence, the riser inventory could be easily calculated. The modeling problem boils down to estimating two parameters including solids friction coefficient and time constant of the riser. It has been shown that the wall friction force acts in the upward direction in fast fluidized regime which indicates that the solids were moving downwards on the average with respect to the riser wall. In transport regimes, the friction acts in the opposite direction. This behavior was quantified based on a sign of Fanning friction factor in the momentum balance equation. The time constant of the riser appears to be much higher in fast fluidized regime than in transport conditions.« less

Perspectives of advanced thermal management in solar thermochemical syngas production using a counter-flow solid-solid heat exchanger

NASA Astrophysics Data System (ADS)

Falter, Christoph; Sizmann, Andreas; Pitz-Paal, Robert

2017-06-01

A modular reactor model is presented for the description of solar thermochemical syngas production involving counter-flow heat exchangers that recuperate heat from the solid phase. The development of the model is described including heat diffusion within the reactive material as it travels through the heat exchanger, which was previously identified to be a possibly limiting factor in heat exchanger design. Heat transfer within the reactive medium is described by conduction and radiation, where the former is modeled with the three-resistor model and the latter with the Rosseland diffusion approximation. The applicability of the model is shown by the analysis of heat exchanger efficiency for different material thicknesses and porosities in a system with 8 chambers and oxidation and reduction temperatures of 1000 K and 1800 K, respectively. Heat exchanger efficiency is found to rise strongly for a reduction of material thickness, as the element mass is reduced and a larger part of the elements takes part in the heat exchange process. An increase of porosity enhances radiation heat exchange but deteriorates conduction. The overall heat exchange in the material is improved for high temperatures in the heat exchanger, as radiation dominates the energy transfer. The model is shown to be a valuable tool for the development and analysis of solar thermochemical reactor concepts involving heat exchange from the solid phase.

Experimental and numerical studies on the treatment of wet astronaut trash by forced-convection drying

NASA Astrophysics Data System (ADS)

Arquiza, J. M. R. Apollo; Morrow, Robert; Remiker, Ross; Hunter, Jean B.

2017-09-01

During long-term space missions, astronauts generate wet trash, including food containers with uneaten portions, moist hygiene wipes and wet paper towels. This waste produces two problems: the loss of water and the generation of odors and health hazards by microbial growth. These problems are solved by a closed-loop, forced-convection, heat-pump drying system which stops microbial activity by both pasteurization and desiccation, and recovers water in a gravity-independent porous media condensing heat exchanger. A transient, pseudo-homogeneous continuum model for the drying of wet ersatz trash was formulated for this system. The model is based on the conservation equations for energy and moisture applied to the air and solid phases and includes the unique trash characteristic of having both dry and wet solids. Experimentally determined heat and mass transfer coefficients, together with the moisture sorption equilibrium relationship for the wet material are used in the model. The resulting system of differential equations is solved by the finite-volume method as implemented by the commercial software COMSOL. Model simulations agreed well with experimental data under certain conditions. The validated model will be used in the optimization of the entire closed-loop system consisting of fan, air heater, dryer vessel, heat-pump condenser, and heat-recovery modules.

Research on multi - channel interactive virtual assembly system for power equipment under the “VR+” era

NASA Astrophysics Data System (ADS)

Ren, Yilong; Duan, Xitong; Wu, Lei; He, Jin; Xu, Wu

2017-06-01

With the development of the “VR+” era, the traditional virtual assembly system of power equipment has been unable to satisfy our growing needs. In this paper, based on the analysis of the traditional virtual assembly system of electric power equipment and the application of VR technology in the virtual assembly system of electric power equipment in our country, this paper puts forward the scheme of establishing the virtual assembly system of power equipment: At first, we should obtain the information of power equipment, then we should using OpenGL and multi texture technology to build 3D solid graphics library. After the completion of three-dimensional modeling, we can use the dynamic link library DLL package three-dimensional solid graphics generation program to realize the modularization of power equipment model library and power equipment model library generated hidden algorithm. After the establishment of 3D power equipment model database, we set up the virtual assembly system of 3D power equipment to separate the assembly operation of the power equipment from the space. At the same time, aiming at the deficiency of the traditional gesture recognition algorithm, we propose a gesture recognition algorithm based on improved PSO algorithm for BP neural network data glove. Finally, the virtual assembly system of power equipment can really achieve multi-channel interaction function.

Modeling the behavior of an earthquake base-isolated building.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coveney, V. A.; Jamil, S.; Johnson, D. E.

1997-11-26

Protecting a structure against earthquake excitation by supporting it on laminated elastomeric bearings has become a widely accepted practice. The ability to perform accurate simulation of the system, including FEA of the bearings, would be desirable--especially for key installations. In this paper attempts to model the behavior of elastomeric earthquake bearings are outlined. Attention is focused on modeling highly-filled, low-modulus, high-damping elastomeric isolator systems; comparisons are made between standard triboelastic solid model predictions and test results.

Black Hole on a Chip: Proposal for a Physical Realization of the Sachdev-Ye-Kitaev model in a Solid-State System

NASA Astrophysics Data System (ADS)

Pikulin, D. I.; Franz, M.

2017-07-01

A system of Majorana zero modes with random infinite-range interactions—the Sachdev-Ye-Kitaev (SYK) model—is thought to exhibit an intriguing relation to the horizons of extremal black holes in two-dimensional anti-de Sitter space. This connection provides a rare example of holographic duality between a solvable quantum-mechanical model and dilaton gravity. Here, we propose a physical realization of the SYK model in a solid-state system. The proposed setup employs the Fu-Kane superconductor realized at the interface between a three-dimensional topological insulator and an ordinary superconductor. The requisite N Majorana zero modes are bound to a nanoscale hole fabricated in the superconductor that is threaded by N quanta of magnetic flux. We show that when the system is tuned to the surface neutrality point (i.e., chemical potential coincident with the Dirac point of the topological insulator surface state) and the hole has sufficiently irregular shape, the Majorana zero modes are described by the SYK Hamiltonian. We perform extensive numerical simulations to demonstrate that the system indeed exhibits physical properties expected of the SYK model, including thermodynamic quantities and two-point as well as four-point correlators, and discuss ways in which these can be observed experimentally.

A Two-Phase Solid/Fluid Model for Dense Granular Flows Including Dilatancy Effects

NASA Astrophysics Data System (ADS)

Mangeney, Anne; Bouchut, Francois; Fernandez-Nieto, Enrique; Narbona-Reina, Gladys

2015-04-01

We propose a thin layer depth-averaged two-phase model to describe solid-fluid mixtures such as debris flows. It describes the velocity of the two phases, the compression/dilatation of the granular media and its interaction with the pore fluid pressure, that itself modifies the friction within the granular phase (Iverson et al., 2010). The model is derived from a 3D two-phase model proposed by Jackson (2000) based on the 4 equations of mass and momentum conservation within the two phases. This system has 5 unknowns: the solid and fluid velocities, the solid and fluid pressures and the solid volume fraction. As a result, an additional equation inside the mixture is necessary to close the system. Surprisingly, this issue is inadequately accounted for in the models that have been developed on the basis of Jackson's work (Bouchut et al., 2014). In particular, Pitman and Le replaced this closure simply by imposing an extra boundary condition at the surface of the flow. When making a shallow expansion, this condition can be considered as a closure condition. However, the corresponding model cannot account for a dissipative energy balance. We propose here an approach to correctly deal with the thermodynamics of Jackson's equations. We close the mixture equations by a weak compressibility relation involving a critical density, or equivalently a critical pressure. Moreover, we relax one boundary condition, making it possible for the fluid to escape the granular media when compression of the granular mass occurs. Furthermore, we introduce second order terms in the equations making it possible to describe the evolution of the pore fluid pressure in response to the compression/dilatation of the granular mass without prescribing an extra ad-hoc equation for the pore pressure. We prove that the energy balance associated with this Jackson closure is dissipative, as well as its thin layer associated model. We present several numerical tests for the 1D case that are compared to the results of the model proposed by Pitman and Le. Bouchut, Fernandez-Nieto, Mangeney, Narbona-Reina, 2014, ESAIM: Mathematical Modelling and Numerical Analysis, in press. Iverson et al., 2010, J. Geophys. Res. 115: F03005. Jackson, 2000, Cambridge Monographs on Mechanics. Pitman and Le, Phil.Trans. R. Soc. A 363, 1573-1601, 2005.

A Two-Phase Solid/Fluid Model for Dense Granular Flows Including Dilatancy Effects

NASA Astrophysics Data System (ADS)

Mangeney, A.; Bouchut, F.; Fernández-Nieto, E. D.; Narbona-Reina, G.; Kone, E. H.

2014-12-01

We propose a thin layer depth-averaged two-phase model to describe solid-fluid mixtures such as debris flows. It describes the velocity of the two phases, the compression/dilatation of the granular media and its interaction with the pore fluid pressure, that itself modifies the friction within the granular phase (Iverson et al., 2010). The model is derived from a 3D two-phase model proposed by Jackson (2000) based on the 4 equations of mass and momentum conservation within the two phases. This system has 5 unknowns: the solid and fluid velocities, the solid and fluid pressures and the solid volume fraction. As a result, an additional equation inside the mixture is necessary to close the system. Surprisingly, this issue is inadequately accounted for in the models that have been developed on the basis of Jackson's work (Bouchut et al., 2014). In particular, Pitman and Le replaced this closure simply by imposing an extra boundary condition at the surface of the flow. When making a shallow expansion, this condition can be considered as a closure condition. However, the corresponding model cannot account for a dissipative energy balance. We propose here an approach to correctly deal with the thermodynamics of Jackson's equations. We close the mixture equations by a weak compressibility relation involving a critical density, or equivalently a critical pressure. Moreover, we relax one boundary condition, making it possible for the fluid to escape the granular media when compression of the granular mass occurs. Furthermore, we introduce second order terms in the equations making it possible to describe the evolution of the pore fluid pressure in response to the compression/dilatation of the granular mass without prescribing an extra ad-hoc equation for the pore pressure. We prove that the energy balance associated with this Jackson closure is dissipative, as well as its thin layer associated model. We present several numerical tests for the 1D case that are compared to the results of the model proposed by Pitman and Le. Bouchut, Fernandez-Nieto, Mangeney, Narbona-Reina, 2014, ESAIM: Mathematical Modelling and Numerical Analysis, in press. Iverson, Logan, LaHusen, Berti, 2010, J. Geophys. Res. 115: F03005. Jackson, 2000, Cambridge Monographs on Mechanics. Pitman and Le, Phil.Trans. R. Soc. A 363, 1573-1601, 2005.

Complex-envelope alternating-direction-implicit FDTD method for simulating active photonic devices with semiconductor/solid-state media.

PubMed

Singh, Gurpreet; Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

2012-06-15

A complex-envelope (CE) alternating-direction-implicit (ADI) finite-difference time-domain (FDTD) approach to treat light-matter interaction self-consistently with electromagnetic field evolution for efficient simulations of active photonic devices is presented for the first time (to our best knowledge). The active medium (AM) is modeled using an efficient multilevel system of carrier rate equations to yield the correct carrier distributions, suitable for modeling semiconductor/solid-state media accurately. To include the AM in the CE-ADI-FDTD method, a first-order differential system involving CE fields in the AM is first set up. The system matrix that includes AM parameters is then split into two time-dependent submatrices that are then used in an efficient ADI splitting formula. The proposed CE-ADI-FDTD approach with AM takes 22% of the time as the approach of the corresponding explicit FDTD, as validated by semiconductor microdisk laser simulations.

Molecularly designed lipid microdomains for solid dispersions using a polymer/inorganic carrier matrix produced by hot-melt extrusion.

PubMed

Adler, Camille; Schönenberger, Monica; Teleki, Alexandra; Kuentz, Martin

2016-02-29

Amorphous solid dispersions have for many years been a focus in oral formulations, especially in combination with a hot-melt extrusion process. The present work targets a novel approach with a system based on a fatty acid, a polymer and an inorganic carrier. It was intended to adsorb the acidic lipid by specific molecular interactions onto the solid carrier to design disorder in the alkyl chains of the lipid. Such designed lipid microdomains (DLM) were created as a new microstructure to accommodate a compound in a solid dispersion. Vibrational spectroscopy, X-ray powder diffraction, atomic force microscopy as well as electron microscopic imaging were employed to study a system of stearic acid, hydroxypropylcellulose and aluminum magnesium silicate. β-carotene was used as a poorly water-soluble model substance that is difficult to formulate with conventional solid dispersion formulations. The results indicated that the targeted molecular excipient interactions indeed led to DLMs for specific compositions. The different methods provided complementary aspects and important insights into the created microstructure. The novel delivery system appeared to be especially promising for the formulation of oral compounds that exhibit both high crystal energy and lipophilicity. Copyright © 2015 Elsevier B.V. All rights reserved.

Formation of a disordered solid via a shock-induced transition in a dense particle suspension

NASA Astrophysics Data System (ADS)

Petel, Oren E.; Frost, David L.; Higgins, Andrew J.; Ouellet, Simon

2012-02-01

Shock wave propagation in multiphase media is typically dominated by the relative compressibility of the two components of the mixture. The difference in the compressibility of the components results in a shock-induced variation in the effective volume fraction of the suspension tending toward the random-close-packing limit for the system, and a disordered solid can take form within the suspension. The present study uses a Hugoniot-based model to demonstrate this variation in the volume fraction of the solid phase as well as a simple hard-sphere model to investigate the formation of disordered structures within uniaxially compressed model suspensions. Both models are discussed in terms of available experimental plate impact data in dense suspensions. Through coordination number statistics of the mesoscopic hard-sphere model, comparisons are made with the trends of the experimental pressure-volume fraction relationship to illustrate the role of these disordered structures in the bulk properties of the suspensions. A criterion for the dynamic stiffening of suspensions under high-rate dynamic loading is suggested as an analog to quasi-static jamming based on the results of the simulations.

A conceptual approach to approximate tree root architecture in infinite slope models

NASA Astrophysics Data System (ADS)

Schmaltz, Elmar; Glade, Thomas

2016-04-01

Vegetation-related properties - particularly tree root distribution and coherent hydrologic and mechanical effects on the underlying soil mantle - are commonly not considered in infinite slope models. Indeed, from a geotechnical point of view, these effects appear to be difficult to be reproduced reliably in a physically-based modelling approach. The growth of a tree and the expansion of its root architecture are directly connected with both intrinsic properties such as species and age, and extrinsic factors like topography, availability of nutrients, climate and soil type. These parameters control four main issues of the tree root architecture: 1) Type of rooting; 2) maximum growing distance to the tree stem (radius r); 3) maximum growing depth (height h); and 4) potential deformation of the root system. Geometric solids are able to approximate the distribution of a tree root system. The objective of this paper is to investigate whether it is possible to implement root systems and the connected hydrological and mechanical attributes sufficiently in a 3-dimensional slope stability model. Hereby, a spatio-dynamic vegetation module should cope with the demands of performance, computation time and significance. However, in this presentation, we focus only on the distribution of roots. The assumption is that the horizontal root distribution around a tree stem on a 2-dimensional plane can be described by a circle with the stem located at the centroid and a distinct radius r that is dependent on age and species. We classified three main types of tree root systems and reproduced the species-age-related root distribution with three respective mathematical solids in a synthetic 3-dimensional hillslope ambience. Thus, two solids in an Euclidian space were distinguished to represent the three root systems: i) cylinders with radius r and height h, whilst the dimension of latter defines the shape of a taproot-system or a shallow-root-system respectively; ii) elliptic paraboloids represent a cordate-root-system with radius r, height h and a constant, species-independent curvature. This procedure simplifies the classification of tree species into the three defined geometric solids. In this study we introduce a conceptual approach to estimate the 2- and 3-dimensional distribution of different tree root systems, and to implement it in a raster environment, as it is used in infinite slope models. Hereto we used the PCRaster extension in a python framework. The results show that root distribution and root growth are spatially reproducible in a simple raster framework. The outputs exhibit significant effects for a synthetically generated slope on local scale for equal time-steps. The preliminary results depict an initial step to develop a vegetation module that can be coupled with hydro-mechanical slope stability models. This approach is expected to yield a valuable contribution to the implementation of vegetation-related properties, in particular effects of root-reinforcement, into physically-based approaches using infinite slope models.

Heterogenous Combustion of Porous Graphite Particles in Normal and Microgravity

NASA Technical Reports Server (NTRS)

Chelliah, Harsha K.; Miller, Fletcher J.; Delisle, Andrew J.

2001-01-01

Combustion of solid fuel particles has many important applications, including power generation and space propulsion systems. The current models available for describing the combustion process of these particles, especially porous solid particles, include various simplifying approximations. One of the most limiting approximations is the lumping of the physical properties of the porous fuel with the heterogeneous chemical reaction rate constants. The primary objective of the present work is to develop a rigorous model that could decouple such physical and chemical effects from the global heterogeneous reaction rates. For the purpose of validating this model, experiments with porous graphite particles of varying sizes and porosity are being performed. The details of this experimental and theoretical model development effort are described.

A Sublimation Model for the Martian Polar Swiss-Cheese Features. Observational and Modeling Studies of the South Polar Residual Cap

NASA Technical Reports Server (NTRS)

Byrne, Shane; Ingersoll, Andrew P.

2002-01-01

In their pioneering work Leighton and Murray argued that the Mars atmosphere, which is 95 percent CO2 today, is controlled by vapor equilibrium with a much larger polar reservoir of solid CO2. Here we argue that the polar reservoir is small and cannot function as a long-term buffer to the more massive atmosphere. Our work is based on modeling the circular depressions (Swiss-cheese features) in the south polar cap. We argue that a solid CO2 layer approximately 8 meters thick is being etched away to reveal water ice underneath. Preliminary results from the THEMIS (Thermal Emission Imaging System) instrument seem to confirm our model.

A method for using solid modeling CAD software to create an implant library for the fabrication of a custom abutment.

PubMed

Zhang, Jing; Zhang, Rimei; Ren, Guanghui; Zhang, Xiaojie

2017-02-01

This article describes a method that incorporates the solid modeling CAD software Solidworks with a dental milling machine to fabricate individual abutments in house. This process involves creating an implant library with 3-dimensional (3D) models and manufacturing a base, scan element, abutment, and crown anatomy. The 3D models can be imported into any dental computer-aided design and computer-aided (CAD-CAM) manufacturing system. This platform increases abutment design flexibility, as the base and scan elements can be designed to fit several shapes as needed to meet clinical requirements. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Thermal Response Modeling System for a Mars Sample Return Vehicle

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Miles, Frank S.; Arnold, Jim (Technical Monitor)

2001-01-01

A multi-dimensional, coupled thermal response modeling system for analysis of hypersonic entry vehicles is presented. The system consists of a high fidelity Navier-Stokes equation solver (GIANTS), a two-dimensional implicit thermal response, pyrolysis and ablation program (TITAN), and a commercial finite-element thermal and mechanical analysis code (MARC). The simulations performed by this integrated system include hypersonic flowfield, fluid and solid interaction, ablation, shape change, pyrolysis gas eneration and flow, and thermal response of heatshield and structure. The thermal response of the heatshield is simulated using TITAN, and that of the underlying structural is simulated using MARC. The ablating heatshield is treated as an outer boundary condition of the structure, and continuity conditions of temperature and heat flux are imposed at the interface between TITAN and MARC. Aerothermal environments with fluid and solid interaction are predicted by coupling TITAN and GIANTS through surface energy balance equations. With this integrated system, the aerothermal environments for an entry vehicle and the thermal response of the entire vehicle can be obtained simultaneously. Representative computations for a flat-faced arc-jet test model and a proposed Mars sample return capsule are presented and discussed.

Thermal Response Modeling System for a Mars Sample Return Vehicle

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Milos, F. S.

2002-01-01

A multi-dimensional, coupled thermal response modeling system for analysis of hypersonic entry vehicles is presented. The system consists of a high fidelity Navier-Stokes equation solver (GIANTS), a two-dimensional implicit thermal response, pyrolysis and ablation program (TITAN), and a commercial finite element thermal and mechanical analysis code (MARC). The simulations performed by this integrated system include hypersonic flowfield, fluid and solid interaction, ablation, shape change, pyrolysis gas generation and flow, and thermal response of heatshield and structure. The thermal response of the heatshield is simulated using TITAN, and that of the underlying structural is simulated using MARC. The ablating heatshield is treated as an outer boundary condition of the structure, and continuity conditions of temperature and heat flux are imposed at the interface between TITAN and MARC. Aerothermal environments with fluid and solid interaction are predicted by coupling TITAN and GIANTS through surface energy balance equations. With this integrated system, the aerothermal environments for an entry vehicle and the thermal response of the entire vehicle can be obtained simultaneously. Representative computations for a flat-faced arc-jet test model and a proposed Mars sample return capsule are presented and discussed.

Systems Analysis Initiated for All-Electric Aircraft Propulsion

NASA Technical Reports Server (NTRS)

Kohout, Lisa L.

2003-01-01

A multidisciplinary effort is underway at the NASA Glenn Research Center to develop concepts for revolutionary, nontraditional fuel cell power and propulsion systems for aircraft applications. There is a growing interest in the use of fuel cells as a power source for electric propulsion as well as an auxiliary power unit to substantially reduce or eliminate environmentally harmful emissions. A systems analysis effort was initiated to assess potential concepts in an effort to identify those configurations with the highest payoff potential. Among the technologies under consideration are advanced proton exchange membrane (PEM) and solid oxide fuel cells, alternative fuels and fuel processing, and fuel storage. Prior to this effort, the majority of fuel cell analysis done at Glenn was done for space applications. Because of this, a new suite of models was developed. These models include the hydrogen-air PEM fuel cell; internal reforming solid oxide fuel cell; balance-of-plant components (compressor, humidifier, separator, and heat exchangers); compressed gas, cryogenic, and liquid fuel storage tanks; and gas turbine/generator models for hybrid system applications. Initial mass, volume, and performance estimates of a variety of PEM systems operating on hydrogen and reformate have been completed for a baseline general aviation aircraft. Solid oxide/turbine hybrid systems are being analyzed. In conjunction with the analysis efforts, a joint effort has been initiated with Glenn s Computer Services Division to integrate fuel cell stack and component models with the visualization environment that supports the GRUVE lab, Glenn s virtual reality facility. The objective of this work is to provide an environment to assist engineers in the integration of fuel cell propulsion systems into aircraft and provide a better understanding of the interaction between system components and the resulting effect on the overall design and performance of the aircraft. Initially, three-dimensional computer-aided design (CAD) models of representative PEM fuel cell stack and components were developed and integrated into the virtual reality environment along with an Excel-based model used to calculate fuel cell electrical performance on the basis of cell dimensions (see the figure). CAD models of a representative general aviation aircraft were also developed and added to the environment. With the use of special headgear, users will be able to virtually manipulate the fuel cell s physical characteristics and its placement within the aircraft while receiving information on the resultant fuel cell output power and performance. As the systems analysis effort progresses, we will add more component models to the GRUVE environment to help us more fully understand the effect of various system configurations on the aircraft.

Measuring charge carrier diffusion in coupled colloidal quantum dot solids.

PubMed

Zhitomirsky, David; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H

2013-06-25

Colloidal quantum dots (CQDs) are attractive materials for inexpensive, room-temperature-, and solution-processed optoelectronic devices. A high carrier diffusion length is desirable for many CQD device applications. In this work we develop two new experimental methods to investigate charge carrier diffusion in coupled CQD solids under charge-neutral, i.e., undepleted, conditions. The methods take advantage of the quantum-size-effect tunability of our materials, utilizing a smaller-bandgap population of quantum dots as a reporter system. We develop analytical models of diffusion in 1D and 3D structures that allow direct extraction of diffusion length from convenient parametric plots and purely optical measurements. We measure several CQD solids fabricated using a number of distinct methods and having significantly different doping and surface ligand treatments. We find that CQD materials recently reported to achieve a certified power conversion efficiency of 7% with hybrid organic-inorganic passivation have a diffusion length of 80 ± 10 nm. The model further allows us to extract the lifetime, trap density, mobility, and diffusion coefficient independently in each material system. This work will facilitate further progress in extending the diffusion length, ultimately leading to high-quality CQD solid semiconducting materials and improved CQD optoelectronic devices, including CQD solar cells.

Combustion of metal agglomerates in a solid rocket core flow

NASA Astrophysics Data System (ADS)

Maggi, Filippo; Dossi, Stefano; DeLuca, Luigi T.

2013-12-01

The need for access to space may require the use of solid propellants. High thrust and density are appealing features for different applications, spanning from boosting phase to other service applications (separation, de-orbiting, orbit insertion). Aluminum is widely used as a fuel in composite solid rocket motors because metal oxidation increases enthalpy release in combustion chamber and grants higher specific impulse. Combustion process of metal particles is complex and involves aggregation, agglomeration and evolution of reacting particulate inside the core flow of the rocket. It is always stated that residence time should be enough in order to grant complete metal oxidation but agglomerate initial size, rocket grain geometry, burning rate, and other factors have to be reconsidered. New space missions may not require large rocket systems and metal combustion efficiency becomes potentially a key issue to understand whether solid propulsion embodies a viable solution or liquid/hybrid systems are better. A simple model for metal combustion is set up in this paper. Metal particles are represented as single drops trailed by the core flow and reacted according to Beckstead's model. The fluid dynamics is inviscid, incompressible, 1D. The paper presents parametric computations on ideal single-size particles as well as on experimental agglomerate populations as a function of operating rocket conditions and geometries.

Atomic-level simulation of ferroelectricity in perovskite solid solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sepliarsky, M.; Instituto de Fisica Rosario, CONICET-UNR, Rosario,; Phillpot, S. R.

2000-06-26

Building on the insights gained from electronic-structure calculations and from experience obtained with an earlier atomic-level method, we developed an atomic-level simulation approach based on the traditional Buckingham potential with shell model which correctly reproduces the ferroelectric phase behavior and dielectric and piezoelectric properties of KNbO{sub 3}. This approach now enables the simulation of solid solutions and defected systems; we illustrate this capability by elucidating the ferroelectric properties of a KTa{sub 0.5}Nb{sub 0.5}O{sub 3} random solid solution. (c) 2000 American Institute of Physics.

Solid-state greenhouses and their implications for icy satellites

NASA Technical Reports Server (NTRS)

Matson, Dennis L.; Brown, Robert H.

1989-01-01

The 'solid-state greenhouse effect' model constituted by the subsurface solar heating of translucent, high-albedo materials is presently applied to the study of planetary surfaces, with attention to frost and ice surfaces of the solar system's outer satellites. Temperature is computed as a function of depth for an illustrative range of thermal variables, and it is discovered that the surfaces and interiors of such bodies can be warmer than otherwise suspected. Mechanisms are identified through which the modest alteration of surface properties can substantially change the solid-state greenhouse and force an interior temperature adjustment.

Analysis and Thermodynamic Prediction of Hydrogen Solution in Solid and Liquid Multicomponent Aluminum Alloys

NASA Astrophysics Data System (ADS)

Anyalebechi, P. N.

Reported experimentally determined values of hydrogen solubility in liquid and solid Al-H and Al-H-X (where X = Cu, Si, Zn, Mg, Li, Fe or Ti) systems have been critically reviewed and analyzed in terms of Wagner's interaction parameter. An attempt has been made to use Wagner's interaction parameter and statistic linear regression models derived from reported hydrogen solubility limits for binary aluminum alloys to predict the hydrogen solubility limits in liquid and solid (commercial) multicomponent aluminum alloys. Reasons for the observed poor agreement between the predicted and experimentally determined hydrogen solubility limits are discussed.

The stability of a flexible cantilever in viscous channel flow

NASA Astrophysics Data System (ADS)

Cisonni, Julien; Lucey, Anthony D.; Elliott, Novak S. J.; Heil, Matthias

2017-05-01

Most studies of the flow-induced flutter instability of a flexible cantilever have assumed inviscid flow because of the high flow speeds and the large scale of the structures encountered in the wide range of applications of this fluid-structure interaction (FSI) system. However, for instance, in the fields of energy harvesting and biomechanics, low flow speeds and small- and micro-scale systems can give relatively low Reynolds numbers so that fluid viscosity needs to be explicitly accounted for to provide reliable predictions of channel-immersed-cantilever stability. In this study, we employ a numerical model coupling the Navier-Stokes equations and a one-dimensional elastic beam model. We conduct a parametric investigation to determine the conditions leading to flutter instability of a slender flexible cantilever immersed in two-dimensional viscous channel flow for Reynolds numbers lower than 1000. The large set of numerical simulations carried out allows predictions of the influence of decreasing Reynolds numbers and of the cantilever confinement on the single-mode neutral stability of the FSI system and on the pre- and post-critical cantilever motion. This model's predictions are also compared to those of a FSI model containing a two-dimensional solid model in order to assess, primarily, the effect of the cantilever slenderness in the simulations. Results show that an increasing contribution of viscosity to the hydrodynamic forces significantly alters the instability boundaries. In general, a decrease in Reynolds number is predicted to produce a stabilisation of the FSI system, which is more pronounced for high fluid-to-solid mass ratios. For particular fluid-to-solid mass ratios, viscous effects can lower the critical velocity and lead to a change in the first unstable structural mode. However, at constant Reynolds number, the effects of viscosity on the system stability are diminished by the confinement of the cantilever, which strengthens the importance of flow inertia.

Studies in Three Phase Gas-Liquid Fluidised Systems

NASA Astrophysics Data System (ADS)

Awofisayo, Joyce Ololade

1992-01-01

Available from UMI in association with The British Library. The work is a logical continuation of research started at Aston some years ago when studies were conducted on fermentations in bubble columns. The present work highlights typical design and operating problems that could arise in such systems as waste water, chemical, biochemical and petroleum operations involving three-phase, gas-liquid -solid fluidisation; such systems are in increasing use. It is believed that this is one of few studies concerned with "true" three-phase, gas-liquid-solid fluidised systems, and that this work will contribute significantly to closing some of the gaps in knowledge in this area. The research work was experimentally based and involved studies of the hydrodynamic parameters, phase holdups (gas and solid), particle mixing and segregation, and phase flow dynamics (flow regime and circulation patterns). The studies have focused particularly on the solid behaviour and the influence of properties of solids present on the above parameters in three-phase, gas-liquid-solid fluidised systems containing single particle components and those containing binary and ternary mixtures of particles. All particles were near spherical in shape and two particle sizes and total concentration levels were used. Experiments were carried out in two- and three-dimensional bubble columns. Quantitative results are presented in graphical form and are supported by qualitative results from visual studies which are also shown as schematic diagrams and in photographic form. Gas and solid holdup results are compared for air-water containing single, binary and ternary component particle mixtures. It should be noted that the criteria for selection of the materials used are very important if true three-phase fluidisation is to be achieved: this is very evident when comparing the results with those in the literature. The fluid flow and circulation patterns observed were assessed for validation of the generally accepted patterns, and the author believes that the present work provides more accurate insight into the modelling of liquid circulation in bubble columns. The characteristic bubbly flow at low gas velocity in a two-phase system is suppressed in the three-phase system. The degree of mixing within the system is found to be dependent on flow regime, liquid circulation and the ratio of solid phase physical properties.

A new percolation model for composite solid electrolytes and dispersed ionic conductors

NASA Astrophysics Data System (ADS)

Risyad Hasyim, Muhammad; Lanagan, Michael T.

2018-02-01

Composite solid electrolytes (CSEs) including conductor/insulator composites known as dispersed ionic conductors (DICs) have motivated the development of novel percolation models that describe their conductivity. Despite the long history, existing models lack in one or more key areas: (1) rigorous foundation for their physical theory, (2) explanation for non-universal conductor-insulator transition, (3) classification of DICs, and (4) extension to frequency-domain. This work describes a frequency-domain effective medium approximation (EMA) of a bond percolation model for CSEs. The EMA is derived entirely from Maxwell’s equations and contains basic microstructure parameters. The model was applied successfully to several composite systems from literature. Simulations and fitting of literature data address these key areas and illustrate the interplay between space charge layer properties and bulk microstructure.

A finite difference method for a coupled model of wave propagation in poroelastic materials.

PubMed

Zhang, Yang; Song, Limin; Deffenbaugh, Max; Toksöz, M Nafi

2010-05-01

A computational method for time-domain multi-physics simulation of wave propagation in a poroelastic medium is presented. The medium is composed of an elastic matrix saturated with a Newtonian fluid, and the method operates on a digital representation of the medium where a distinct material phase and properties are specified at each volume cell. The dynamic response to an acoustic excitation is modeled mathematically with a coupled system of equations: elastic wave equation in the solid matrix and linearized Navier-Stokes equation in the fluid. Implementation of the solution is simplified by introducing a common numerical form for both solid and fluid cells and using a rotated-staggered-grid which allows stable solutions without explicitly handling the fluid-solid boundary conditions. A stability analysis is presented which can be used to select gridding and time step size as a function of material properties. The numerical results are shown to agree with the analytical solution for an idealized porous medium of periodically alternating solid and fluid layers.

Liquid Adsorption of Organic Compounds on Hematite α-Fe2O3 Using ReaxFF.

PubMed

Chia, Chung-Lim; Avendaño, Carlos; Siperstein, Flor R; Filip, Sorin

2017-10-24

ReaxFF-based molecular dynamics simulations are used in this work to study the effect of the polarity of adsorbed molecules in the liquid phase on the structure and polarization of hematite (α-Fe 2 O 3 ). We compared the adsorption of organic molecules with different polarities on a rigid hematite surface and on a flexible and polarizable surface. We show that the displacements of surface atoms and surface polarization in a flexible hematite model are proportional to the adsorbed molecule's polarity. The increase in electrostatic interactions resulting from charge transfer in the outermost solid atoms in a flexible hematite model results in better-defined adsorbed layers that are less ordered than those obtained assuming a rigid solid. These results suggest that care must be taken when parametrizing empirical transferable force fields because the calculated charges on a solid slab in vacuum may not be representative of a real system, especially when the solid is in contact with a polar liquid.

Model-based development of a fault signature matrix to improve solid oxide fuel cell systems on-site diagnosis

NASA Astrophysics Data System (ADS)

Polverino, Pierpaolo; Pianese, Cesare; Sorrentino, Marco; Marra, Dario

2015-04-01

The paper focuses on the design of a procedure for the development of an on-field diagnostic algorithm for solid oxide fuel cell (SOFC) systems. The diagnosis design phase relies on an in-deep analysis of the mutual interactions among all system components by exploiting the physical knowledge of the SOFC system as a whole. This phase consists of the Fault Tree Analysis (FTA), which identifies the correlations among possible faults and their corresponding symptoms at system components level. The main outcome of the FTA is an inferential isolation tool (Fault Signature Matrix - FSM), which univocally links the faults to the symptoms detected during the system monitoring. In this work the FTA is considered as a starting point to develop an improved FSM. Making use of a model-based investigation, a fault-to-symptoms dependency study is performed. To this purpose a dynamic model, previously developed by the authors, is exploited to simulate the system under faulty conditions. Five faults are simulated, one for the stack and four occurring at BOP level. Moreover, the robustness of the FSM design is increased by exploiting symptom thresholds defined for the investigation of the quantitative effects of the simulated faults on the affected variables.

High-Power Collective Charging of a Solid-State Quantum Battery

NASA Astrophysics Data System (ADS)

Ferraro, Dario; Campisi, Michele; Andolina, Gian Marcello; Pellegrini, Vittorio; Polini, Marco

2018-03-01

Quantum information theorems state that it is possible to exploit collective quantum resources to greatly enhance the charging power of quantum batteries (QBs) made of many identical elementary units. We here present and solve a model of a QB that can be engineered in solid-state architectures. It consists of N two-level systems coupled to a single photonic mode in a cavity. We contrast this collective model ("Dicke QB"), whereby entanglement is genuinely created by the common photonic mode, to the one in which each two-level system is coupled to its own separate cavity mode ("Rabi QB"). By employing exact diagonalization, we demonstrate the emergence of a quantum advantage in the charging power of Dicke QBs, which scales like √{N } for N ≫1 .

Intelligent Control via Wireless Sensor Networks for Advanced Coal Combustion Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aman Behal; Sunil Kumar; Goodarz Ahmadi

2007-08-05

Numerical Modeling of Solid Gas Flow, System Identification for purposes of modeling and control, and Wireless Sensor and Actor Network design were pursued as part of this project. Time series input-output data was obtained from NETL's Morgantown CFB facility courtesy of Dr. Lawrence Shadle. It was run through a nonlinear kernel estimator and nonparametric models were obtained for the system. Linear and first-order nonlinear kernels were then utilized to obtain a state-space description of the system. Neural networks were trained that performed better at capturing the plant dynamics. It is possible to use these networks to find a plant modelmore » and the inversion of this model can be used to control the system. These models allow one to compare with physics based models whose parameters can then be determined by comparing them against the available data based model. On a parallel track, Dr. Kumar designed an energy-efficient and reliable transport protocol for wireless sensor and actor networks, where the sensors could be different types of wireless sensors used in CFB based coal combustion systems and actors are more powerful wireless nodes to set up a communication network while avoiding the data congestion. Dr. Ahmadi's group studied gas solid flow in a duct. It was seen that particle concentration clearly shows a preferential distribution. The particles strongly interact with the turbulence eddies and are concentrated in narrow bands that are evolving with time. It is believed that observed preferential concentration is due to the fact that these particles are flung out of eddies by centrifugal force.« less

A physics-based fractional order model and state of energy estimation for lithium ion batteries. Part I: Model development and observability analysis

NASA Astrophysics Data System (ADS)

Li, Xiaoyu; Fan, Guodong; Pan, Ke; Wei, Guo; Zhu, Chunbo; Rizzoni, Giorgio; Canova, Marcello

2017-11-01

The design of a lumped parameter battery model preserving physical meaning is especially desired by the automotive researchers and engineers due to the strong demand for battery system control, estimation, diagnosis and prognostics. In light of this, a novel simplified fractional order electrochemical model is developed for electric vehicle (EV) applications in this paper. In the model, a general fractional order transfer function is designed for the solid phase lithium ion diffusion approximation. The dynamic characteristics of the electrolyte concentration overpotential are approximated by a first-order resistance-capacitor transfer function in the electrolyte phase. The Ohmic resistances and electrochemical reaction kinetics resistance are simplified to a lumped Ohmic resistance parameter. Overall, the number of model parameters is reduced from 30 to 9, yet the accuracy of the model is still guaranteed. In order to address the dynamics of phase-change phenomenon in the active particle during charging and discharging, variable solid-state diffusivity is taken into consideration in the model. Also, the observability of the model is analyzed on two types of lithium ion batteries subsequently. Results show the fractional order model with variable solid-state diffusivity agrees very well with experimental data at various current input conditions and is suitable for electric vehicle applications.

In vitro characterization of a novel polymeric system for preparation of amorphous solid drug dispersions.

PubMed

Mahmoudi, Zahra N; Upadhye, Sampada B; Ferrizzi, David; Rajabi-Siahboomi, Ali R

2014-07-01

Preparation of amorphous solid dispersions using polymers is a commonly used formulation strategy for enhancing the solubility of poorly water-soluble drugs. However, often a single polymer may not bring about a significant enhancement in solubility or amorphous stability of a poorly water-soluble drug. This study describes application of a unique and novel binary polymeric blend in preparation of solid dispersions. The objective of this study was to investigate amorphous solid dispersions of glipizide, a BCS class II model drug, in a binary polymeric system of polyvinyl acetate phthalate (PVAP) and hypromellose (hydroxypropyl methylcellulose, HPMC). The solid dispersions were prepared using two different solvent methods: rotary evaporation (rotavap) and fluid bed drug layering on sugar spheres. The performance and physical stability of the dispersions were evaluated with non-sink dissolution testing, powder X-ray diffraction (PXRD), and modulated differential scanning calorimetry (mDSC). PXRD analysis demonstrated an amorphous state for glipizide, and mDSC showed no evidence of phase separation. Non-sink dissolution testing in pH 7.5 phosphate buffer indicated more than twofold increase in apparent solubility of the drug with PVAP-HPMC system. The glipizide solid dispersions demonstrated a high glass transition temperature (Tg) and acceptable chemical and physical stability during the stability period irrespective of the manufacturing process. In conclusion, the polymeric blend of PVAP-HPMC offers a unique formulation approach for developing amorphous solid dispersions with the flexibility towards the use of these polymers in different ratios and combined quantities depending on drug properties.

Combustion Of Porous Graphite Particles In Oxygen Enriched Air

NASA Technical Reports Server (NTRS)

Delisle, Andrew J.; Miller, Fletcher J.; Chelliah, Harsha K.

2003-01-01

Combustion of solid fuel particles has many important applications, including power generation and space propulsion systems. The current models available for describing the combustion process of these particles, especially porous solid particles, include various simplifying approximations. One of the most limiting approximations is the lumping of the physical properties of the porous fuel with the heterogeneous chemical reaction rate constants [1]. The primary objective of the present work is to develop a rigorous modeling approach that could decouple such physical and chemical effects from the global heterogeneous reaction rates. For the purpose of validating this model, experiments with porous graphite particles of varying sizes and porosity are being performed under normal and micro gravity.

Modelling Equilibrium and Fractional Crystallization in the System MgO-FeO-CaO-Al2O3-SiO2

NASA Technical Reports Server (NTRS)

Herbert, F.

1985-01-01

A mathematical modelling technique for use in petrogenesis calculations in the system MgO-FeO-CaO-Al2O3-SiO2 is reported. Semiempirical phase boundary and elemental distribution information was combined with mass balance to compute approximate equilibrium crystallization paths for arbitrary system compositions. The calculation is applicable to a range of system compositions and fractionation calculations are possible. The goal of the calculation is the computation of the composition and quantity of each phase present as a function of the degree of solidification. The degree of solidification is parameterized by the heat released by the solidifying phases. The mathematical requirement for the solution of this problem is: (1) An equation constraining the composition of the magma for each solid phase in equilibrium with the liquidus phase, and (2) an equation for each solid phase and each component giving the distribution of that element between that phase and the magma.

Investigating pyrolysis/incineration as a method of resource recovery from solid waste

NASA Technical Reports Server (NTRS)

Robertson, Bobby J.; Lemay, Christopher S.

1993-01-01

Pyrolysis/incineration (P/I) is a physicochemical method for the generation of recoverable resources from solid waste materials such as inedible plant biomass (IPB), paper, plastics, cardboard, etc. P/I permits the collection of numerous gases with a minimal amount of solid residue. Pyrolysis, also known as starved air incineration, is usually conducted at relatively high temperatures (greater than 500 deg C) in the absence of oxygen. Incineration is conducted at lower temperatures in the presence of oxygen. The primary purpose of this study was to design, construct, and test a model P/I. The system design includes safety requirements for temperature and pressure. The objectives of this study were: (1) to design and construct a P/I system for incorporation with the Hybrid Regenerative Water Recovery System; (2) to initiate testing of the P/I system; (3) to collect and analyze P/I system data; (4) to consider test variables; and (5) to determine the feasibility of P/I as an effective method of resource recovery. A P/I system for the recovery of reuseable resources from solid waste materials was designed, constructed, and tested. Since a large amount of inedible plant biomass (IPB) will be generated in a space-based habitat on the lunar surface and Mars, IPB was the primary waste material tested in the system. Analysis of the effluent gases was performed to determine which gases could be used in a life support system.

Design of robotic cells based on relative handling modules with use of SolidWorks system

NASA Astrophysics Data System (ADS)

Gaponenko, E. V.; Anciferov, S. I.

2018-05-01

The article presents a diagramed engineering solution for a robotic cell with six degrees of freedom for machining of complex details, consisting of the base with a tool installation module and a detail machining module made as parallel structure mechanisms. The output links of the detail machining module and the tool installation module can move along X-Y-Z coordinate axes each. A 3D-model of the complex is designed in the SolidWorks system. It will be used further for carrying out engineering calculations and mathematical analysis and obtaining all required documentation.

Fuzzy Logic Based Controller for a Grid-Connected Solid Oxide Fuel Cell Power Plant.

PubMed

Chatterjee, Kalyan; Shankar, Ravi; Kumar, Amit

2014-10-01

This paper describes a mathematical model of a solid oxide fuel cell (SOFC) power plant integrated in a multimachine power system. The utilization factor of a fuel stack maintains steady state by tuning the fuel valve in the fuel processor at a rate proportional to a current drawn from the fuel stack. A suitable fuzzy logic control is used for the overall system, its objective being controlling the current drawn by the power conditioning unit and meet a desirable output power demand. The proposed control scheme is verified through computer simulations.

The Liquid Droplet Radiator - an Ultralightweight Heat Rejection System for Efficient Energy Conversion in Space

NASA Technical Reports Server (NTRS)

Mattick, A. T.; Hertzberg, A.

1984-01-01

A heat rejection system for space is described which uses a recirculating free stream of liquid droplets in place of a solid surface to radiate waste heat. By using sufficiently small droplets ( 100 micron diameter) of low vapor pressure liquids the radiating droplet sheet can be made many times lighter than the lightest solid surface radiators (heat pipes). The liquid droplet radiator (LDR) is less vulnerable to damage by micrometeoroids than solid surface radiators, and may be transported into space far more efficiently. Analyses are presented of LDR applications in thermal and photovoltaic energy conversion which indicate that fluid handling components (droplet generator, droplet collector, heat exchanger, and pump) may comprise most of the radiator system mass. Even the unoptimized models employed yield LDR system masses less than heat pipe radiator system masses, and significant improvement is expected using design approaches that incorporate fluid handling components more efficiently. Technical problems (e.g., spacecraft contamination and electrostatic deflection of droplets) unique to this method of heat rejectioon are discussed and solutions are suggested.

The liquid droplet radiator - An ultralightweight heat rejection system for efficient energy conversion in space

NASA Technical Reports Server (NTRS)

Mattick, A. T.; Hertzberg, A.

1981-01-01

A heat rejection system for space is described which uses a recirculating free stream of liquid droplets in place of a solid surface to radiate waste heat. By using sufficiently small droplets (less than about 100 micron diameter) of low vapor pressure liquids (tin, tin-lead-bismuth eutectics, vacuum oils) the radiating droplet sheet can be made many times lighter than the lightest solid surface radiators (heat pipes). The liquid droplet radiator (LDR) is less vulnerable to damage by micrometeoroids than solid surface radiators, and may be transported into space far more efficiently. Analyses are presented of LDR applications in thermal and photovoltaic energy conversion which indicate that fluid handling components (droplet generator, droplet collector, heat exchanger, and pump) may comprise most of the radiator system mass. Even the unoptimized models employed yield LDR system masses less than heat pipe radiator system masses, and significant improvement is expected using design approaches that incorporate fluid handling components more efficiently. Technical problems (e.g., spacecraft contamination and electrostatic deflection of droplets) unique to this method of heat rejection are discussed and solutions are suggested.

Dynamic modeling of sludge compaction and consolidation processes in wastewater secondary settling tanks.

PubMed

Abusam, A; Keesman, K J

2009-01-01

The double exponential settling model is the widely accepted model for wastewater secondary settling tanks. However, this model does not estimate accurately solids concentrations in the settler underflow stream, mainly because sludge compression and consolidation processes are not considered. In activated sludge systems, accurate estimation of the solids in the underflow stream will facilitate the calibration process and can lead to correct estimates of particularly kinetic parameters related to biomass growth. Using principles of compaction and consolidation, as in soil mechanics, a dynamic model of the sludge consolidation processes taking place in the secondary settling tanks is developed and incorporated to the commonly used double exponential settling model. The modified double exponential model is calibrated and validated using data obtained from a full-scale wastewater treatment plant. Good agreement between predicted and measured data confirmed the validity of the modified model.

Experimental study and thermodynamic modeling of the phase relation in the Fe-S-Si system with implications for the distribution of S and Si in a partially solidified core

NASA Astrophysics Data System (ADS)

Tao, R.; Fei, Y.

2017-12-01

Planetary cooling leads to solidification of any initially molten metallic core. Some terrestrial cores (e.g. Mercury) are formed and differentiated under relatively reduced conditions, and they are thought to be composed of Fe-S-Si. However, there are limited understanding of the phase relations in the Fe-S-Si system at high pressure and temperature. In this study, we conducted high-pressure experiments to investigate the phase relations in the Fe-S-Si system up to 25 GPa. Experimental results show that the liquidus and solidus in this study are slightly lower than those in the Fe-S binary system for the same S concentration in liquid at same pressure. The Fe3S, which is supposed to be the stable sub-solidus S-bearing phase in the Fe-S binary system above 17 GPa, is not observed in the Fe-S-Si system at 21 GPa. Almost all S prefers to partition into liquid, while the distribution of Si between solid and liquid depends on experimental P and T conditions. We obtained the partition coefficient log(KDSi) by fitting the experimental data as a function of P, T and S concentration in liquid. At a constant pressure, the log(KDSi) linearly decreases with 1/T(K). With increase of pressure, the slopes of linear correlation between log(KDSi) and 1/T(K) decreases, indicating that more Si partitions into solid at higher pressure. In order to interpolate and extrapolate the phase relations over a wide pressure and temperature range, we established a comprehensive thermodynamic model in the Fe-S-Si system. The results will be used to constrain the distribution of S and Si between solid inner core and liquid outer core for a range of planet sizes. A Si-rich solid inner core and a S-rich liquid outer core are suggested for an iron-rich core.

Surface Premelting Coupled with Bulk Phase Transitions in Colloidal Crystals

NASA Astrophysics Data System (ADS)

Li, Bo; Wang, Feng; Zhou, Di; Cao, Xin; Peng, Yi; Ni, Ran; Liao, Maijia; Han, Yilong

2015-03-01

Colloids have been used as outstanding model systems for the studies of various phase transitions in bulk, but not at interface yet. Here we obtained equilibrium crystal-vapor interfaces using tunable attractive colloidal spheres and studied the surface premelting at the single-particle level by video microscopy. We found that monolayer crystals exhibit a bulk isostructural solid-solid transition which triggers the surface premelting. The premelting is incomplete due to the interruption of a mechanical-instability-induced bulk melting. By contrast, two- or multilayer crystals do not have the solid-solid transition and the mechanical instability, hence they exhibit complete premelting with divergent surface-liquid thickness. These novel interplays between bulk and surface phase transitions cast new lights for both types of transitions.

Ion adsorption-induced wetting transition in oil-water-mineral systems.

PubMed

Mugele, Frieder; Bera, Bijoyendra; Cavalli, Andrea; Siretanu, Igor; Maestro, Armando; Duits, Michel; Cohen-Stuart, Martien; van den Ende, Dirk; Stocker, Isabella; Collins, Ian

2015-05-27

The relative wettability of oil and water on solid surfaces is generally governed by a complex competition of molecular interaction forces acting in such three-phase systems. Herein, we experimentally demonstrate how the adsorption of in nature abundant divalent Ca(2+) cations to solid-liquid interfaces induces a macroscopic wetting transition from finite contact angles (≈ 10°) with to near-zero contact angles without divalent cations. We developed a quantitative model based on DLVO theory to demonstrate that this transition, which is observed on model clay surfaces, mica, but not on silica surfaces nor for monovalent K(+) and Na(+) cations is driven by charge reversal of the solid-liquid interface. Small amounts of a polar hydrocarbon, stearic acid, added to the ambient decane synergistically enhance the effect and lead to water contact angles up to 70° in the presence of Ca(2+). Our results imply that it is the removal of divalent cations that makes reservoir rocks more hydrophilic, suggesting a generalizable strategy to control wettability and an explanation for the success of so-called low salinity water flooding, a recent enhanced oil recovery technology.

Numerical Modeling of Conjugate Heat Transfer in Fluid Network

NASA Technical Reports Server (NTRS)

Majumdar, Alok

2004-01-01

Fluid network modeling with conjugate heat transfer has many applications in Aerospace engineering. In modeling unsteady flow with heat transfer, it is important to know the variation of wall temperature in time and space to calculate heat transfer between solid to fluid. Since wall temperature is a function of flow, a coupled analysis of temperature of solid and fluid is necessary. In cryogenic applications, modeling of conjugate heat transfer is of great importance to correctly predict boil-off rate in propellant tanks and chill down of transfer lines. In TFAWS 2003, the present author delivered a paper to describe a general-purpose computer program, GFSSP (Generalized Fluid System Simulation Program). GFSSP calculates flow distribution in complex flow circuit for compressible/incompressible, with or without heat transfer or phase change in all real fluids or mixtures. The flow circuit constitutes of fluid nodes and branches. The mass, energy and specie conservation equations are solved at the nodes where as momentum conservation equations are solved at the branches. The proposed paper describes the extension of GFSSP to model conjugate heat transfer. The network also includes solid nodes and conductors in addition to fluid nodes and branches. The energy conservation equations for solid nodes solves to determine the temperatures of the solid nodes simultaneously with all conservation equations governing fluid flow. The numerical scheme accounts for conduction, convection and radiation heat transfer. The paper will also describe the applications of the code to predict chill down of cryogenic transfer line and boil-off rate of cryogenic propellant storage tank.

Mechatronic Materials and Systems. Design and Demonstration of High Aughtority Shape Morphing Structures

DTIC Science & Technology

2005-09-01

thermal expansion of these truss elements. One side of the structure is fully clamped, while the other is free to displace. As in prior assessments [6...levels, by using the finite element package ABAQUS . To simulate the complete system, the core and the Kagome face members are modeled using linear...code ABAQUS . To simulate the complete actuation system, the core and Kagome members are modeled using linear Timoshenko-type beams, while the solid

Modeling of polymer networks for application to solid propellant formulating

NASA Technical Reports Server (NTRS)

Marsh, H. E.

1979-01-01

Methods for predicting the network structural characteristics formed by the curing of pourable elastomers were presented; as well as the logic which was applied in the development of mathematical models. A universal approach for modeling was developed and verified by comparison with other methods in application to a complex system. Several applications of network models to practical problems are described.

[Application of classical isothermal adsorption models in heavy metal ions/ diatomite system and related problems].

PubMed

Zhu, Jian; Wu, Qing-Ding; Wang, Ping; Li, Ke-Lin; Lei, Ming-Jing; Zhang, Wei-Li

2013-11-01

In order to fully understand adsorption nature of Cu2+, Zn2+, Pb2+, Cd2+, Mn2+, Fe3+ onto natural diatomite, and to find problems of classical isothermal adsorption models' application in liquid/solid system, a series of isothermal adsorption tests were conducted. As results indicate, the most suitable isotherm models for describing adsorption of Pb2+, Cd2+, Cu2+, Zn2+, Mn2+, Fe3+ onto natural diatomite are Tenkin, Tenkin, Langmuir, Tenkin, Freundlich and Freundlich, respectively, the adsorption of each ion onto natural diatomite is mainly a physical process, and the adsorption reaction is favorable. It also can be found that, when using classical isothermal adsorption models to fit the experimental data in liquid/solid system, the equilibrium adsorption amount q(e) is not a single function of ion equilibrium concentration c(e), while is a function of two variables, namely c(e) and the adsorbent concentration W0, q(e) only depends on c(e)/W(0). Results also show that the classical isothermal adsorption models have a significant adsorbent effect, and their parameter values are unstable, the simulation values of parameter differ greatly from the measured values, which is unhelpful for practical use. The tests prove that four-adsorption-components model can be used for describing adsorption behavior of single ion in nature diatomite-liquid system, its parameters k and q(m) have constant values, which is favorable for practical quantitative calculation in a given system.

Task 2: Flight prototype system design report, pulsed plasma solid propellant microthruster for the Synchronous Meteorological Satellite

NASA Technical Reports Server (NTRS)

Guman, W. J. (Editor)

1972-01-01

Design details are presented of the solid propellant pulsed plasma microthruster which was analyzed during the Task 1 effort. The design details presented show that the inherent functional simplicity underlying the flight proven LES-6 design can be maintained in the SMS systems design even with minimum weight constraints imposed. A 1293 hour uninterrupted vacuum test with the engineering thermal model, simulating an 18.8 to 33 g environment of the propellant, its feed system and electrode assembly, revealed that program thruster performance requirements could be met. This latter g environment is a more severe environment than will be ever encountered in the SMS spacecraft.

High order ADER schemes for a unified first order hyperbolic formulation of Newtonian continuum mechanics coupled with electro-dynamics

NASA Astrophysics Data System (ADS)

Dumbser, Michael; Peshkov, Ilya; Romenski, Evgeniy; Zanotti, Olindo

2017-11-01

In this paper, we propose a new unified first order hyperbolic model of Newtonian continuum mechanics coupled with electro-dynamics. The model is able to describe the behavior of moving elasto-plastic dielectric solids as well as viscous and inviscid fluids in the presence of electro-magnetic fields. It is actually a very peculiar feature of the proposed PDE system that viscous fluids are treated just as a special case of elasto-plastic solids. This is achieved by introducing a strain relaxation mechanism in the evolution equations of the distortion matrix A, which in the case of purely elastic solids maps the current configuration to the reference configuration. The model also contains a hyperbolic formulation of heat conduction as well as a dissipative source term in the evolution equations for the electric field given by Ohm's law. Via formal asymptotic analysis we show that in the stiff limit, the governing first order hyperbolic PDE system with relaxation source terms tends asymptotically to the well-known viscous and resistive magnetohydrodynamics (MHD) equations. Furthermore, a rigorous derivation of the model from variational principles is presented, together with the transformation of the Euler-Lagrange differential equations associated with the underlying variational problem from Lagrangian coordinates to Eulerian coordinates in a fixed laboratory frame. The present paper hence extends the unified first order hyperbolic model of Newtonian continuum mechanics recently proposed in [110,42] to the more general case where the continuum is coupled with electro-magnetic fields. The governing PDE system is symmetric hyperbolic and satisfies the first and second principle of thermodynamics, hence it belongs to the so-called class of symmetric hyperbolic thermodynamically compatible systems (SHTC), which have been studied for the first time by Godunov in 1961 [61] and later in a series of papers by Godunov and Romenski [67,69,119]. An important feature of the proposed model is that the propagation speeds of all physical processes, including dissipative processes, are finite. The model is discretized using high order accurate ADER discontinuous Galerkin (DG) finite element schemes with a posteriori subcell finite volume limiter and using high order ADER-WENO finite volume schemes. We show numerical test problems that explore a rather large parameter space of the model ranging from ideal MHD, viscous and resistive MHD over pure electro-dynamics to moving dielectric elastic solids in a magnetic field.

The effects of polymer carrier, hot melt extrusion process and downstream processing parameters on the moisture sorption properties of amorphous solid dispersions.

PubMed

Feng, Xin; Vo, Anh; Patil, Hemlata; Tiwari, Roshan V; Alshetaili, Abdullah S; Pimparade, Manjeet B; Repka, Michael A

2016-05-01

The aim of this study was to evaluate the effect of polymer carrier, hot melt extrusion and downstream processing parameters on the water uptake properties of amorphous solid dispersions. Three polymers and a model drug were used to prepare amorphous solid dispersions utilizing the hot melt extrusion technology. The sorption-desorption isotherms of solid dispersions and their physical mixtures were measured by the dynamic vapour sorption system, and the effects of polymer hydrophobicity, hygroscopicity, molecular weight and the hot melt extrusion process were investigated. Fourier transform infrared (FTIR) imaging was performed to understand the phase separation driven by the moisture. Solid dispersions with polymeric carriers with lower hydrophilicity, hygroscopicity and higher molecular weight could sorb less moisture under the high relative humidity (RH) conditions. The water uptake ability of polymer-drug solid dispersion systems were decreased compared with the physical mixture after hot melt extrusion, which might be due to the decreased surface area and porosity. The FTIR imaging indicated that the homogeneity of the drug molecularly dispersed within the polymer matrix was changed after exposure to high RH. Understanding the effect of formulation and processing on the moisture sorption properties of solid dispersions is essential for the development of drug products with desired physical and chemical stability. © 2015 Royal Pharmaceutical Society.

Verification of Modelica-Based Models with Analytical Solutions for Tritium Diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rader, Jordan D.; Greenwood, Michael Scott; Humrickhouse, Paul W.

Here, tritium transport in metal and molten salt fluids combined with diffusion through high-temperature structural materials is an important phenomenon in both magnetic confinement fusion (MCF) and molten salt reactor (MSR) applications. For MCF, tritium is desirable to capture for fusion fuel. For MSRs, uncaptured tritium potentially can be released to the environment. In either application, quantifying the time- and space-dependent tritium concentration in the working fluid(s) and structural components is necessary.Whereas capability exists specifically for calculating tritium transport in such systems (e.g., using TMAP for fusion reactors), it is desirable to unify the calculation of tritium transport with othermore » system variables such as dynamic fluid and structure temperature combined with control systems such as those that might be found in a system code. Some capability for radioactive trace substance transport exists in thermal-hydraulic systems codes (e.g., RELAP5-3D); however, this capability is not coupled to species diffusion through solids. Combined calculations of tritium transport and thermal-hydraulic solution have been demonstrated with TRIDENT but only for a specific type of MSR.Researchers at Oak Ridge National Laboratory have developed a set of Modelica-based dynamic system modeling tools called TRANsient Simulation Framework Of Reconfigurable Models (TRANSFORM) that were used previously to model advanced fission reactors and associated systems. In this system, the augmented TRANSFORM library includes dynamically coupled fluid and solid trace substance transport and diffusion. Results from simulations are compared against analytical solutions for verification.« less

Verification of Modelica-Based Models with Analytical Solutions for Tritium Diffusion

DOE PAGES

Rader, Jordan D.; Greenwood, Michael Scott; Humrickhouse, Paul W.

2018-03-20

Here, tritium transport in metal and molten salt fluids combined with diffusion through high-temperature structural materials is an important phenomenon in both magnetic confinement fusion (MCF) and molten salt reactor (MSR) applications. For MCF, tritium is desirable to capture for fusion fuel. For MSRs, uncaptured tritium potentially can be released to the environment. In either application, quantifying the time- and space-dependent tritium concentration in the working fluid(s) and structural components is necessary.Whereas capability exists specifically for calculating tritium transport in such systems (e.g., using TMAP for fusion reactors), it is desirable to unify the calculation of tritium transport with othermore » system variables such as dynamic fluid and structure temperature combined with control systems such as those that might be found in a system code. Some capability for radioactive trace substance transport exists in thermal-hydraulic systems codes (e.g., RELAP5-3D); however, this capability is not coupled to species diffusion through solids. Combined calculations of tritium transport and thermal-hydraulic solution have been demonstrated with TRIDENT but only for a specific type of MSR.Researchers at Oak Ridge National Laboratory have developed a set of Modelica-based dynamic system modeling tools called TRANsient Simulation Framework Of Reconfigurable Models (TRANSFORM) that were used previously to model advanced fission reactors and associated systems. In this system, the augmented TRANSFORM library includes dynamically coupled fluid and solid trace substance transport and diffusion. Results from simulations are compared against analytical solutions for verification.« less

New Density Functional Approach for Solid-Liquid-Vapor Transitions in Pure Materials

NASA Astrophysics Data System (ADS)

Kocher, Gabriel; Provatas, Nikolas

2015-04-01

A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most quantitative features to date in PFC modeling of pure substances, and full consistency with thermodynamics in pressure-volume-temperature space is demonstrated. A method to control either the volume or the pressure of the system is also introduced. Nonequilibrium simulations show that 2- and 3-phase growth of solid, vapor, and liquid can be achieved, while our formalism also allows for a full range of pressure-induced transformations. This model opens up a new window for the study of pressure driven interactions of condensed phases with vapor, an experimentally relevant paradigm previously missing from phase field crystal theories.

A new model for fluid velocity slip on a solid surface.

PubMed

Shu, Jian-Jun; Teo, Ji Bin Melvin; Chan, Weng Kong

2016-10-12

A general adsorption model is developed to describe the interactions between near-wall fluid molecules and solid surfaces. This model serves as a framework for the theoretical modelling of boundary slip phenomena. Based on this adsorption model, a new general model for the slip velocity of fluids on solid surfaces is introduced. The slip boundary condition at a fluid-solid interface has hitherto been considered separately for gases and liquids. In this paper, we show that the slip velocity in both gases and liquids may originate from dynamical adsorption processes at the interface. A unified analytical model that is valid for both gas-solid and liquid-solid slip boundary conditions is proposed based on surface science theory. The corroboration with the experimental data extracted from the literature shows that the proposed model provides an improved prediction compared to existing analytical models for gases at higher shear rates and close agreement for liquid-solid interfaces in general.

Feasibility Studies on Pipeline Disposal of Concentrated Copper Tailings Slurry for Waste Minimization

NASA Astrophysics Data System (ADS)

Senapati, Pradipta Kumar; Mishra, Barada Kanta

2017-06-01

The conventional lean phase copper tailings slurry disposal systems create pollution all around the disposal area through seepage and flooding of waste slurry water. In order to reduce water consumption and minimize pollution, the pipeline disposal of these waste slurries at high solids concentrations may be considered as a viable option. The paper presents the rheological and pipeline flow characteristics of copper tailings samples in the solids concentration range of 65-72 % by weight. The tailings slurry indicated non-Newtonian behaviour at these solids concentrations and the rheological data were best fitted by Bingham plastic model. The influence of solids concentration on yield stress and plastic viscosity for the copper tailings samples were discussed. Using a high concentration test loop, pipeline experiments were conducted in a 50 mm nominal bore (NB) pipe by varying the pipe flow velocity from 1.5 to 3.5 m/s. A non-Newtonian Bingham plastic pressure drop model predicted the experimental data reasonably well for the concentrated tailings slurry. The pressure drop model was used for higher size pipes and the operating conditions for pipeline disposal of concentrated copper tailings slurry in a 200 mm NB pipe with respect to specific power consumption were discussed.

Patterns formation in ferrofluids and solid dissolutions using stochastic models with dissipative dynamics

NASA Astrophysics Data System (ADS)

Morales, Marco A.; Fernández-Cervantes, Irving; Agustín-Serrano, Ricardo; Anzo, Andrés; Sampedro, Mercedes P.

2016-08-01

A functional with interactions short-range and long-range low coarse-grained approximation is proposed. This functional satisfies models with dissipative dynamics A, B and the stochastic Swift-Hohenberg equation. Furthermore, terms associated with multiplicative noise source are added in these models. These models are solved numerically using the method known as fast Fourier transform. Results of the spatio-temporal dynamic show similarity with respect to patterns behaviour in ferrofluids phases subject to external fields (magnetic, electric and temperature), as well as with the nucleation and growth phenomena present in some solid dissolutions. As a result of the multiplicative noise effect over the dynamic, some microstructures formed by changing solid phase and composed by binary alloys of Pb-Sn, Fe-C and Cu-Ni, as well as a NiAl-Cr(Mo) eutectic composite material. The model A for active-particles with a non-potential term in form of quadratic gradient explain the formation of nanostructured particles of silver phosphate. With these models is shown that the underlying mechanisms in the patterns formation in all these systems depends of: (a) dissipative dynamics; (b) the short-range and long-range interactions and (c) the appropiate combination of quadratic and multiplicative noise terms.

Displacement and Deflection of AN Optical Beam by Airborne Ultrasound

NASA Astrophysics Data System (ADS)

Caron, James N.

2008-02-01

Gas-Coupled Laser Acoustic Detection enables laser-based sensing of ultrasound from a solid without contact of the surface, and independent of the optical properties of the solid surface. The interaction between the probe beam and acoustic field has typically been modeled as creating a deflection in the optical beam. This paper describes this interaction as a combination of displacement and deflection. Sensing displacement can significantly decrease the system's dependence of length.

Water impact test of aft skirt end ring, and mid ring segments of the Space Shuttle Solid Rocket Booster

NASA Technical Reports Server (NTRS)

1983-01-01

The results of water impact loads tests using aft skirt end ring, and mid ring segments of the Space Shuttle Solid Rocket Booster (SRB) are examined. Dynamic structural response data is developed and an evaluation of the model in various configurations is presented. Impact velocities are determined for the SRB with the larger main chute system. Various failure modes are also investigated.

Simulation of the Lower Walker River Basin hydrologic system, west-central Nevada, using PRMS and MODFLOW models

USGS Publications Warehouse

Allander, Kip K.; Niswonger, Richard G.; Jeton, Anne E.

2014-01-01

The effects of fallowing of Walker River Indian Irrigation Project fields from 2007 to 2010 on Walker Lake inflow, level, and dissolved solids were evaluated. Fallowing resulted in a near doubling of Walker River inflow to Walker Lake during this period, an increase in Walker Lake level of about 1.4 feet, and a decrease in dissolved-solids concentration of about 540 mg/L.

Effect of Chamber Pressurization Rate on Combustion and Propagation of Solid Propellant Cracks

NASA Astrophysics Data System (ADS)

Yuan, Wei-Lan; Wei, Shen; Yuan, Shu-Shen

2002-01-01

area of the propellant grain satisfies the designed value. But cracks in propellant grain can be generated during manufacture, storage, handing and so on. The cracks can provide additional surface area for combustion. The additional combustion may significantly deviate the performance of the rocket motor from the designed conditions, even lead to explosive catastrophe. Therefore a thorough study on the combustion, propagation and fracture of solid propellant cracks must be conducted. This paper takes an isolated propellant crack as the object and studies the effect of chamber pressurization rate on the combustion, propagation and fracture of the crack by experiment and theoretical calculation. deformable, the burning inside a solid propellant crack is a coupling of solid mechanics and combustion dynamics. In this paper, a theoretical model describing the combustion, propagation and fracture of the crack was formulated and solved numerically. The interaction of structural deformation and combustion process was included in the theoretical model. The conservation equations for compressible fluid flow, the equation of state for perfect gas, the heat conducting equation for the solid-phase, constitutive equation for propellant, J-integral fracture criterion and so on are used in the model. The convective burning inside the crack and the propagation and fracture of the crack were numerically studied by solving the set of nonlinear, inhomogeneous gas-phase governing equations and solid-phase equations. On the other hand, the combustion experiments for propellant specimens with a precut crack were conducted by RTR system. Predicted results are in good agreement with experimental data, which validates the reasonableness of the theoretical model. Both theoretical and experimental results indicate that the chamber pressurization rate has strong effects on the convective burning in the crack, crack fracture initiation and fracture pattern.

Integrated rheology model: Explosive Composition B-3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, Stephen M.; Zerkle, David K.; Smilowitz, Laura B.

Composition B-3 (Comp B-3) is a high explosive formulation composed of 60/40wt% RDX (1,3,5-trinitroperhydro-1,3,5-triazine) /TNT (2,4,6 trinitrotoluene). Above approximately 78°C this formulation partially melts to form a multiphase system with solid RDX particles in a molten TNT matrix. This multiphase system presents a number of phenomena that influence its apparent viscosity. In an earlier study explosive Composition B-3 (Comp B-3, 60/40wt% RDX/TNT) was examined for evidence of yield stress using a non-isothermal falling ball viscometer and a yield stress model was proposed in this paper. An integrated viscosity model suitable for use in computational fluid dynamics (CFD) simulations is developedmore » to capture the transition from a heterogeneous solid to a Bingham viscoplastic fluid. This viscosity model is used to simulate the motion of imbedded spheres falling through molten Comp B-3. Finally, comparison of the simulations to physical tests show agreement between the positions predicted by the model and the measured locations of the spheres as a function of temperature between 90C and 165C.« less

Integrated rheology model: Explosive Composition B-3

DOE PAGES

Davis, Stephen M.; Zerkle, David K.; Smilowitz, Laura B.; ...

2018-03-20

Composition B-3 (Comp B-3) is a high explosive formulation composed of 60/40wt% RDX (1,3,5-trinitroperhydro-1,3,5-triazine) /TNT (2,4,6 trinitrotoluene). Above approximately 78°C this formulation partially melts to form a multiphase system with solid RDX particles in a molten TNT matrix. This multiphase system presents a number of phenomena that influence its apparent viscosity. In an earlier study explosive Composition B-3 (Comp B-3, 60/40wt% RDX/TNT) was examined for evidence of yield stress using a non-isothermal falling ball viscometer and a yield stress model was proposed in this paper. An integrated viscosity model suitable for use in computational fluid dynamics (CFD) simulations is developedmore » to capture the transition from a heterogeneous solid to a Bingham viscoplastic fluid. This viscosity model is used to simulate the motion of imbedded spheres falling through molten Comp B-3. Finally, comparison of the simulations to physical tests show agreement between the positions predicted by the model and the measured locations of the spheres as a function of temperature between 90C and 165C.« less

Improved modeling of two-dimensional transitions in dense phases on crystalline surfaces. Krypton–graphite system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ustinov, E. A., E-mail: eustinov@mail.wplus.net

This paper presents a refined technique to describe two-dimensional phase transitions in dense fluids adsorbed on a crystalline surface. Prediction of parameters of 2D liquid–solid equilibrium is known to be an extremely challenging problem, which is mainly due to a small difference in thermodynamic functions of coexisting phases and lack of accuracy of numerical experiments in case of their high density. This is a serious limitation of various attempts to circumvent this problem. To improve this situation, a new methodology based on the kinetic Monte Carlo method was applied. The methodology involves analysis of equilibrium gas–liquid and gas–solid systems undergoingmore » an external potential, which allows gradual shifting parameters of the phase coexistence. The interrelation of the chemical potential and tangential pressure for each system is then treated with the Gibbs–Duhem equation to obtain the point of intersection corresponding to the liquid/solid–solid equilibrium coexistence. The methodology is demonstrated on the krypton–graphite system below and above the 2D critical temperature. Using experimental data on the liquid–solid and the commensurate–incommensurate transitions in the krypton monolayer derived from adsorption isotherms, the Kr–graphite Lennard–Jones parameters have been corrected resulting in a higher periodic potential modulation.« less

An incentive-based source separation model for sustainable municipal solid waste management in China.

PubMed

Xu, Wanying; Zhou, Chuanbin; Lan, Yajun; Jin, Jiasheng; Cao, Aixin

2015-05-01

Municipal solid waste (MSW) management (MSWM) is most important and challenging in large urban communities. Sound community-based waste management systems normally include waste reduction and material recycling elements, often entailing the separation of recyclable materials by the residents. To increase the efficiency of source separation and recycling, an incentive-based source separation model was designed and this model was tested in 76 households in Guiyang, a city of almost three million people in southwest China. This model embraced the concepts of rewarding households for sorting organic waste, government funds for waste reduction, and introducing small recycling enterprises for promoting source separation. Results show that after one year of operation, the waste reduction rate was 87.3%, and the comprehensive net benefit under the incentive-based source separation model increased by 18.3 CNY tonne(-1) (2.4 Euros tonne(-1)), compared to that under the normal model. The stakeholder analysis (SA) shows that the centralized MSW disposal enterprises had minimum interest and may oppose the start-up of a new recycling system, while small recycling enterprises had a primary interest in promoting the incentive-based source separation model, but they had the least ability to make any change to the current recycling system. The strategies for promoting this incentive-based source separation model are also discussed in this study. © The Author(s) 2015.

Modified Nose-Hoover thermostat for solid state for constant temperature molecular dynamics simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Wen-Hwa, E-mail: whchen@pme.nthu.edu.tw; National Applied Research Laboratories, Taipei 10622, Taiwan, ROC; Wu, Chun-Hung

2011-07-10

Nose-Hoover (NH) thermostat methods incorporated with molecular dynamics (MD) simulation have been widely used to simulate the instantaneous system temperature and feedback energy in a canonical ensemble. The method simply relates the kinetic energy to the system temperature via the particles' momenta based on the ideal gas law. However, when used in a tightly bound system such as solids, the method may suffer from deriving a lower system temperature and potentially inducing early breaking of atomic bonds at relatively high temperature due to the neglect of the effect of the potential energy of atoms based on solid state physics. Inmore » this paper, a modified NH thermostat method is proposed for solid system. The method takes into account the contribution of phonons by virtue of the vibrational energy of lattice and the zero-point energy, derived based on the Debye theory. Proof of the equivalence of the method and the canonical ensemble is first made. The modified NH thermostat is tested on different gold nanocrystals to characterize their melting point and constant volume specific heat, and also their size and temperature dependence. Results show that the modified NH method can give much more comparable results to both the literature experimental and theoretical data than the standard NH. Most importantly, the present model is the only one, among the six thermostat algorithms under comparison, that can accurately reproduce the experimental data and also the T{sup 3}-law at temperature below the Debye temperature, where the specific heat of a solid at constant volume is proportional to the cube of temperature.« less

Hybrid boosters for future launch vehicles

NASA Astrophysics Data System (ADS)

Dargies, E.; Lo, R. E.

There is a striking similarity in the design of the US Space Transportation System, the European ARI-ANE 5P and the Japanese II-II: they all use a high energy cryogenic core stage along with two large solid propellant rocket boosters (SRB's) in order to provide for a high lift-off thrust level. Prior to last years disasters with Challenger and Titan it was widely held that SRB's were cheap, uncomplicated and safe. Even before the revelation by these accidents of severe safety hazards, shuttle operations demonstrated that the SRB's were by no means as cheap as reusable systems ought to be. In addition, they became known as sources of considerable environmental pollution. In contrast, hybrid rocket propulsion systems offer the following potential advantages: • much higher savety level (TNT equivalent almost zero, shut-down capability in case of ignition failure of one unit, inert against unbonding) • choice of non-toxic propellant combinations • equal or higher specific performance For these reasons, system analysis were carried out to examine hybrids as potential alternative to SRB's. Various analytical tools (mass- and performance models, trajectory simulation etc.) were developed for parametrical studies of hybrid propulsion systems. Special attention was devoted to the well-known primary concern of hybrids: geometrical design of the solid fuel grain and regression rate of the ablating surface. Experimental data were used as input wherever possible. In 1985 first studies were carried out to find possible fields of application for hybrid rocket engines. A mass model and a performance model for hybrid rocket motors were developed, taking into account the peculiarities of hybrid combustion as there are i.e. low regression rate and shifting mixture ratio during operation. After some analytical work was done, hybrids proved to be a promising alternative to SRB's. Compared with solids, hybrids offer many advantages.

Atmospheric cloud physics thermal systems analysis

NASA Technical Reports Server (NTRS)

1977-01-01

Engineering analyses performed on the Atmospheric Cloud Physics (ACPL) Science Simulator expansion chamber and associated thermal control/conditioning system are reported. Analyses were made to develop a verified thermal model and to perform parametric thermal investigations to evaluate systems performance characteristics. Thermal network representations of solid components and the complete fluid conditioning system were solved simultaneously using the Systems Improved Numerical Differencing Analyzer (SINDA) computer program.

Reference-material system for estimating health and environmental risks of selected material cycles and energy systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crowther, M.A.; Moskowitz, P.D.

1981-07-01

Sample analyses and detailed documentation are presented for a Reference Material System (RMS) to estimate health and environmental risks of different material cycles and energy systems. Data inputs described include: end-use material demands, efficiency coefficients, environmental emission coefficients, fuel demand coefficients, labor productivity estimates, and occupational health and safety coefficients. Application of this model permits analysts to estimate fuel use (e.g., Btu), occupational risk (e.g., fatalities), and environmental emissions (e.g., sulfur oxide) for specific material trajectories or complete energy systems. Model uncertainty is quantitatively defined by presenting a range of estimates for each data input. Systematic uncertainty not quantified relatesmore » to the boundaries chosen for analysis and reference system specification. Although the RMS can be used to analyze material system impacts for many different energy technologies, it was specifically used to examine the health and environmental risks of producing the following four types of photovoltaic devices: silicon n/p single-crystal cells produced by a Czochralski process; silicon metal/insulator/semiconductor (MIS) cells produced by a ribbon-growing process; cadmium sulfide/copper sulfide backwall cells produced by a spray deposition process; and gallium arsenide cells with 500X concentrator produced by a modified Czochralski process. Emission coefficients for particulates, sulfur dioxide and nitrogen dioxide; solid waste; total suspended solids in water; and, where applicable, air and solid waste residuals for arsenic, cadmium, gallium, and silicon are examined and presented. Where data are available the coefficients for particulates, sulfur oxides, and nitrogen oxides include both process and on-site fuel-burning emissions.« less

Accuracy of real time radiography burning rate measurement

NASA Astrophysics Data System (ADS)

Olaniyi, Bisola

The design of a solid propellant rocket motor requires the determination of a propellant's burning-rate and its dependency upon environmental parameters. The requirement that the burning-rate be physically measured, establishes the need for methods and equipment to obtain such data. A literature review reveals that no measurement has provided the desired burning rate accuracy. In the current study, flash x-ray modeling and digitized film-density data were employed to predict motor-port area to length ratio. The pre-fired port-areas and base burning rate were within 2.5% and 1.2% of their known values, respectively. To verify the accuracy of the method, a continuous x-ray and a solid propellant rocket motor model (Plexiglas cylinder) were used. The solid propellant motor model was translated laterally through a real-time radiography system at different speeds simulating different burning rates. X-ray images were captured and the burning-rate was then determined. The measured burning rate was within 1.65% of the known values.

Greenhouse gases emissions from waste management practices using Life Cycle Inventory model.

PubMed

Chen, Tsao-Chou; Lin, Cheng-Fang

2008-06-30

When exploring the correlation between municipal solid waste management and green house gas emission, the volume and physical composition of the waste matter must be taken into account. Due to differences in local environments and lifestyles the quantity and composition of waste often vary. This leads to differences in waste treatment methods and causes different volumes of greenhouse gases (GHGs), highlighting the need for local research. In this study the Life Cycle Inventory method was used with global warming indicator GHGs as the variables. By quantifying the data and adopting a region-based approach, this created a model of household MSWM in Taipei City, a metropolitan region in Taiwan. To allow analysis and comparison a compensatory system was then added to expand the system boundary. The results of the analysis indicated that out of all the solid waste management sub-models for a function unit, recycling was the most effective method for reducing GHG emissions while using kitchen food waste as swine feeding resulted in the most GHG emissions. As for the impact of waste collection vehicles on emissions, if the efficiency of transportation could be improved and energy consumption reduced, this will help solid waste management to achieve its goal of reducing GHG emissions.

The structure and properties of a simple model mixture of amphiphilic molecules and ions at a solid surface

NASA Astrophysics Data System (ADS)

Pizio, O.; Sokołowski, S.; Sokołowska, Z.

2014-05-01

We investigate microscopic structure, adsorption, and electric properties of a mixture that consists of amphiphilic molecules and charged hard spheres in contact with uncharged or charged solid surfaces. The amphiphilic molecules are modeled as spheres composed of attractive and repulsive parts. The electrolyte component of the mixture is considered in the framework of the restricted primitive model (RPM). The system is studied using a density functional theory that combines fundamental measure theory for hard sphere mixtures, weighted density approach for inhomogeneous charged hard spheres, and a mean-field approximation to describe anisotropic interactions. Our principal focus is in exploring the effects brought by the presence of ions on the distribution of amphiphilic particles at the wall, as well as the effects of amphiphilic molecules on the electric double layer formed at solid surface. In particular, we have found that under certain thermodynamic conditions a long-range translational and orientational order can develop. The presence of amphiphiles produces changes of the shape of the differential capacitance from symmetric or non-symmetric bell-like to camel-like. Moreover, for some systems the value of the potential of the zero charge is non-zero, in contrast to the RPM at a charged surface.

Microbial response to environmental gradients in a ceramic-based diffusion system.

PubMed

Wolfaardt, G M; Hendry, M J; Birkham, T; Bressel, A; Gardner, M N; Sousa, A J; Korber, D R; Pilaski, M

2008-05-01

A solid, porous matrix was used to establish steady-state concentration profiles upon which microbial responses to concentration gradients of nutrients or antimicrobial agents could be quantified. This technique relies on the development of spatially defined concentration gradients across a ceramic plate resulting from the diffusion of solutes through the porous ceramic matrix. A two-dimensional, finite-element numerical transport model was used to predict the establishment of concentration profiles, after which concentration profiles of conservative tracers were quantified fluorometrically and chemically at the solid-liquid interface to verify the simulated profiles. Microbial growth responses to nutrient, hypochloride, and antimicrobial concentration gradients were then quantified using epifluorescent or scanning confocal laser microscopy. The observed microbial response verified the establishment and maintenance of stable concentration gradients along the solid-liquid interface. These results indicate the ceramic diffusion system has potential for the isolation of heterogeneous microbial communities as well as for testing the efficacy of antimicrobial agents. In addition, the durability of the solid matrix allowed long-term investigations, making this approach preferable to conventional gel-stabilized systems that are impeded by erosion as well as expansion or shrinkage of the gel. Copyright 2008 Wiley Periodicals, Inc.

Some Useful Innovations with Trasys and Sinda-85

NASA Technical Reports Server (NTRS)

Amundsen, Ruth M.

1993-01-01

Several innovative methods have been used to allow more efficient and accurate thermal analysis using SINDA-85 and TRASYS, including model integration and reduction, planetary surface calculations, and model animation. Integration with other modeling and analysis codes allows an analyst to import a geometry from a solid modeling or computer-aided design (CAD) software package, rather than building the geometry "by hand." This is more efficient as well as potentially more accurate. However, the use of solid modeling software often generates large analytical models. The problem of reducing large models has been elegantly solved using the response of the transient derivative to a forcing step function. The thermal analysis of a lunar rover implemented two unusual features of the TRASYS/SINDA system. A little-known TRASYS routine SURFP calculates the solar heating of a rover on the lunar surface for several different rover positions and orientations. This is used not only to determine the rover temperatures, but also to automatically determine the power generated by the solar arrays. The animation of transient thermal results is an effective tool, especially in a vivid case such as the 14-day progress of the sun over the lunar rover. An animated color map on the solid model displays the progression of temperatures.

Modeling multicomponent ion exchange equilibrium utilizing hydrous crystalline silicotitanates by a multiple interactive ion exchange site model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Z.; Anthony, R.G.; Miller, J.E.

1997-06-01

An equilibrium multicomponent ion exchange model is presented for the ion exchange of group I metals by TAM-5, a hydrous crystalline silicotitanate. On the basis of the data from ion exchange and structure studies, the solid phase is represented as Na{sub 3}X instead of the usual form of NaX. By using this solid phase representation, the solid can be considered as an ideal phase. A set of model ion exchange reactions is proposed for ion exchange between H{sup +}, Na{sup +}, K{sup +}, Rb{sup +}, and Cs{sup +}. The equilibrium constants for these reactions were estimated from experiments with simplemore » ion exchange systems. Bromley`s model for activity coefficients of electrolytic solutions was used to account for liquid phase nonideality. Bromley`s model parameters for CsOH at high ionic strength and for NO{sub 2}{sup {minus}} and Al(OH){sub 4}{sup {minus}} were estimated in order to apply the model for complex waste simulants. The equilibrium compositions and distribution coefficients of counterions were calculated for complex simulants typical of DOE wastes by solving the equilibrium equations for the model reactions and material balance equations. The predictions match the experimental results within 10% for all of these solutions.« less

PERSPECTIVE: Physical aspects of cancer invasion

NASA Astrophysics Data System (ADS)

Guiot, Caterina; Pugno, Nicola; Delsanto, Pier Paolo; Deisboeck, Thomas S.

2007-12-01

Invasiveness, one of the hallmarks of tumor progression, represents the tumor's ability to expand into the host tissue by means of several complex biochemical and biomechanical processes. Since certain aspects of the problem present a striking resemblance with well-known physical mechanisms, such as the mechanical insertion of a solid inclusion in an elastic material specimen (G Eaves 1973 The invasive growth of malignant tumours as a purely mechanical process J. Pathol. 109 233; C Guiot, N Pugno and P P Delsanto 2006 Elastomechanical model of tumor invasion Appl. Phys. Lett. 89 233901) or a water drop impinging on a surface (C Guiot, P P Delsanto and T S Deisboeck 2007 Morphological instability and cancer invasion: a 'splashing water drop' analogy Theor. Biol. Med. Model 4 4), we propose here an analogy between these physical processes and a cancer system's invasive branching into the surrounding tissue. Accounting for its solid and viscous properties, we then arrive, as a unifying model, to an analogy with a granular solid. While our model has been explicitly formulated for multicellular tumor spheroids in vitro, it should also contribute to a better understanding of tumor invasion in vivo.

Axisymmetric Lattice Boltzmann Model of Droplet Impact on Solid Surfaces

NASA Astrophysics Data System (ADS)

Dalgamoni, Hussein; Yong, Xin

2017-11-01

Droplet impact is a ubiquitous fluid phenomena encountered in scientific and engineering applications such as ink-jet printing, coating, electronics manufacturing, and many others. It is of great technological importance to understand the detailed dynamics of drop impact on various surfaces. The lattice Boltzmann method (LBM) emerges as an efficient method for modeling complex fluid systems involving rapidly evolving fluid-fluid and fluid-solid interfaces with complex geometries. In this work, we model droplet impact on flat solid substrates with well-defined wetting behavior using a two-phase axisymmetric LBM with high density and viscosity contrasts. We extend the two-dimensional Lee and Liu model to capture axisymmetric effect in the normal impact. First we compare the 2D axisymmetric results with the 2D and 3D results reported by Lee and Liu to probe the effect of axisymmetric terms. Then, we explore the effects of Weber number, Ohnesorge number, and droplet-surface equilibrium contact angle on the impact. The dynamic contact angle and spreading factor of the droplet during impact are investigated to qualitatively characterize the impact dynamics.

A CAD/CAE analysis of photographic and engineering data

NASA Technical Reports Server (NTRS)

Goza, S. Michael; Peterson, Wayne L.

1987-01-01

In the investigation of the STS 51L accident, NASA engineers were given the task of visual analysis of photographic data extracted from the tracking cameras located at the launch pad. An analysis of the rotations associated with the right Solid Rocket Booster (SRB) was also performed. The visual analysis involved pinpointing coordinates of specific areas on the photographs. The objective of the analysis on the right SRB was to duplicate the rotations provided by the SRB rate gyros and to determine the effects of the rotations on the launch configuration. To accomplish the objectives, computer aided design and engineering was employed. The solid modeler, GEOMOD, inside the Structural Dynamics Research Corp. I-DEAS package, proved invaluable. The problem areas that were encountered and the corresponding solutions that were obtained are discussed. A brief description detailing the construction of the computer generated solid model of the STS launch configuration is given. A discussion of the coordinate systems used in the analysis is provided for the purpose of positioning the model in coordinate space. The techniques and theory used in the model analysis are described.

Visualization Skills: A Prerequisite to Advanced Solid Modeling

ERIC Educational Resources Information Center

Gow, George

2007-01-01

Many educators believe that solid modeling software has made teaching two- and three-dimensional visualization skills obsolete. They claim that the visual tools built into the solid modeling software serve as a replacement for the CAD operator's personal visualization skills. They also claim that because solid modeling software can produce…

[Individualized fluid-solid coupled model of intracranial aneurysms based on computed tomography angiography data].

PubMed

Wang, Fuyu; Xu, Bainan; Sun, Zhenghui; Liu, Lei; Wu, Chen; Zhang, Xiaojun

2012-10-01

To establish an individualized fluid-solid coupled model of intracranial aneurysms based on computed tomography angiography (CTA) image data. The original Dicom format image data from a patient with an intracranial aneurysm were imported into Mimics software to construct the 3D model. The fluid-solid coupled model was simulated with ANSYS and CFX software, and the sensitivity of the model was analyzed. The difference between the rigid model and fluid-solid coupled model was also compared. The fluid-solid coupled model of intracranial aneurysm was established successfully, which allowed direct simulation of the blood flow of the intracranial aneurysm and the deformation of the solid wall. The pressure field, stress field, and distribution of Von Mises stress and deformation of the aneurysm could be exported from the model. A small Young's modulus led to an obvious deformation of the vascular wall, and the walls with greater thicknesses had smaller deformations. The rigid model and the fluid-solid coupled model showed more differences in the wall shear stress and blood flow velocity than in pressure. The fluid-solid coupled model more accurately represents the actual condition of the intracranial aneurysm than the rigid model. The results of numerical simulation with the model are reliable to study the origin, growth and rupture of the aneurysms.

Dynamic Burning Effects in the Combustion of Solid Propellants with Cracks, and the Use of Granular Bed Combustion Models

DTIC Science & Technology

1980-12-01

Detachment, White Oak Laboratory, Silver Spring Code 240, Sigmund Jacobs (1) G. B. Wilmot (1) 1 Naval Underwater Systems Center, Newport (Code 5B331...Models by Kenneth K. Kuo and Mridul Kumar Systems Associates DTIC Pennsylvanir State University ELECTE for the APR 8 1981 Research Department B...ACTIVTY OF THE NAVAL MATERIAL COMMAND FOREWORD This is the final report for a research program conducted by Systems Associates, Pennsylvania State

Solid-state diffusion in amorphous zirconolite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, C.; Dove, M. T.; Trachenko, K.

2014-11-14

We discuss how structural disorder and amorphization affect solid-state diffusion, and consider zirconolite as a currently important case study. By performing extensive molecular dynamics simulations, we disentangle the effects of amorphization and density, and show that a profound increase of solid-state diffusion takes place as a result of amorphization. Importantly, this can take place at the same density as in the crystal, representing an interesting general insight regarding solid-state diffusion. We find that decreasing the density in the amorphous system increases pre-factors of diffusion constants, but does not change the activation energy in the density range considered. We also findmore » that atomic species in zirconolite are affected differently by amorphization and density change. Our microscopic insights are relevant for understanding how solid-state diffusion changes due to disorder and for building predictive models of operation of materials to be used to encapsulate nuclear waste.« less

Oil-Free Turbomachinery Being Developed

NASA Technical Reports Server (NTRS)

DellaCorte, Christopher; Valco, Mark J.

2001-01-01

NASA and the Army Research Laboratory (ARL) along with industry and university researchers, are developing Oil-Free technology that will have a revolutionary impact on turbomachinery systems used in commercial and military applications. System studies have shown that eliminating an engine's oil system can yield significant savings in weight, maintenance, and operational costs. The Oil-Free technology (foil air bearings, high-temperature coatings, and advanced modeling) is being developed to eliminate the need for oil lubrication systems on high-speed turbomachinery such as turbochargers and gas turbine engines that are used in aircraft propulsion systems. The Oil-Free technology is enabled by recent breakthroughs in foil bearing load capacity, solid lubricant coatings, and computer-based analytical modeling. During the past fiscal year, a U.S. patent was awarded for the NASA PS300 solid lubricant coating, which was developed at the NASA Glenn Research Center. PS300 has enabled the successful operation of foil air bearings to temperatures over 650 C and has resulted in wear lives in excess of 100,000 start/stop cycles. This leapfrog improvement in performance over conventional solid lubricants (limited to 300 C) creates new application opportunities for high-speed, high-temperature Oil-Free gas turbine engines. On the basis of this break-through coating technology and the world's first successful demonstration of an Oil-Free turbocharger in fiscal year 1999, industry is partnering with NASA on a 3-year project to demonstrate a small, Oil-Free turbofan engine for aeropropulsion.

Optimization of greenhouse gas emissions in second-hand consumer product recovery through reuse platforms.

PubMed

Fortuna, Lorena M; Diyamandoglu, Vasil

2017-08-01

Product reuse in the solid waste management sector is promoted as one of the key strategies for waste prevention. This practice is considered to have favorable impact on the environment, but its benefits have yet to be established. Existing research describes the perspective of "avoided production" only, but has failed to examine the interdependent nature of reuse practices within an entire solid waste management system. This study proposes a new framework that uses optimization to minimize the greenhouse gas emissions of an integrated solid waste management system that includes reuse strategies and practices such as reuse enterprises, online platforms, and materials exchanges along with traditional solid waste management practices such as recycling, landfilling, and incineration. The proposed framework uses material flow analysis in combination with an optimization model to provide the best outcome in terms of GHG emissions by redistributing product flows in the integrated solid waste management system to the least impacting routes and processes. The optimization results provide a basis for understanding the contributions of reuse to the environmental benefits of the integrated solid waste management system and the exploration of the effects of reuse activities on waste prevention. A case study involving second-hand clothing is presented to illustrate the implementation of the proposed framework as applied to the material flow. Results of the case study showed the considerable impact of reuse on GHG emissions even for small replacement rates, and helped illustrate the interdependency of the reuse sector with other waste management practices. One major contribution of this study is the development of a framework centered on product reuse that can be applied to identify the best management strategies to reduce the environmental impact of product disposal and to increase recovery of reusable products. Copyright © 2017 Elsevier Ltd. All rights reserved.

Charge transfer kinetics at the solid-solid interface in porous electrodes

NASA Astrophysics Data System (ADS)

Bai, Peng; Bazant, Martin Z.

2014-04-01

Interfacial charge transfer is widely assumed to obey the Butler-Volmer kinetics. For certain liquid-solid interfaces, the Marcus-Hush-Chidsey theory is more accurate and predictive, but it has not been applied to porous electrodes. Here we report a simple method to extract the charge transfer rates in carbon-coated LiFePO4 porous electrodes from chronoamperometry experiments, obtaining curved Tafel plots that contradict the Butler-Volmer equation but fit the Marcus-Hush-Chidsey prediction over a range of temperatures. The fitted reorganization energy matches the Born solvation energy for electron transfer from carbon to the iron redox site. The kinetics are thus limited by electron transfer at the solid-solid (carbon-LixFePO4) interface rather than by ion transfer at the liquid-solid interface, as previously assumed. The proposed experimental method generalizes Chidsey’s method for phase-transforming particles and porous electrodes, and the results show the need to incorporate Marcus kinetics in modelling batteries and other electrochemical systems.

On bifurcation in dynamics of hemispherical resonator gyroscope

NASA Astrophysics Data System (ADS)

Volkov, D. Yu.; Galunova, K. V.

2018-05-01

A mathematical model of wave solid-state gyro (HRG) are constructed. Wave pattern of resonant oscillations was studied applying normal form method. We calculate the Birkhoff-Gustavson normal form of unterturbed system.

Anderson localization and Mott insulator phase in the time domain

PubMed Central

Sacha, Krzysztof

2015-01-01

Particles in space periodic potentials constitute standard models for investigation of crystalline phenomena in solid state physics. Time periodicity of periodically driven systems is a close analogue of space periodicity of solid state crystals. There is an intriguing question if solid state phenomena can be observed in the time domain. Here we show that wave-packets localized on resonant classical trajectories of periodically driven systems are ideal elements to realize Anderson localization or Mott insulator phase in the time domain. Uniform superpositions of the wave-packets form stationary states of a periodically driven particle. However, an additional perturbation that fluctuates in time results in disorder in time and Anderson localization effects emerge. Switching to many-particle systems we observe that depending on how strong particle interactions are, stationary states can be Bose-Einstein condensates or single Fock states where definite numbers of particles occupy the periodically evolving wave-packets. Our study shows that non-trivial crystal-like phenomena can be observed in the time domain. PMID:26074169

"Artificial lymphatic system": a new approach to reduce interstitial hypertension and increase blood flow, pH and pO2 in solid tumors.

PubMed

DiResta, G R; Lee, J; Healey, J H; Levchenko, A; Larson, S M; Arbit, E

2000-05-01

A mechanical drainage system, the "artificial lymphatic system" (ALS), consisting of a vacuum source and drain, is evaluated for its ability to aspirate the interstitial fluids responsible for the elevated interstitial fluid pressure (IFP) observed in solid tumors. IFP, pH, and pO2 radial profiles were measured before and after aspiration using wick-in-needle (WIN) probes, needle pH and oxygen electrodes, respectively. Laser Doppler flowmetry measured temporal changes in blood flow rate (BFR) at the tumor surface during aspiration. The WIN probe and IFP profile data were analyzed using numerical simulation and distributed mathematical models, respectively. The model parameter, P(E), reflecting central tumor IFP, was reduced from 15.3 to 5.7 mm Hg in neuroblastoma and from 13.3 to 12.1 mm Hg in Walker 256, respectively, following aspiration. The simulation demonstrated that spatial averaging inherent in WIN measurements reduced the calculated magnitude of the model parameter changes. IFP was significantly lower (p<0.05), especially in regions surrounding the drain, and BFR was significantly higher (p<0.05) following 25 and 45 min of aspiration, respectively; pH and pO2 profiles increased following aspiration. The experimental and mathematical findings suggest that ALS aspiration may be a viable way of reducing IFP and increasing BFR, pO2, and pH and should enhance solid tumor chemo and radiation therapy.

The Chameleon Solid Rocket Propulsion Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robertson, Glen A.

The Khoury and Weltman (2004a and 2004b) Chameleon Model presents an addition to the gravitation force and was shown by the author (Robertson, 2009a and 2009b) to present a new means by which one can view other forces in the Universe. The Chameleon Model is basically a density-dependent model and while the idea is not new, this model is novel in that densities in the Universe to include the vacuum of space are viewed as scalar fields. Such an analogy gives the Chameleon scalar field, dark energy/dark matter like characteristics; fitting well within cosmological expansion theories. In respect to thismore » forum, in this paper, it is shown how the Chameleon Model can be used to derive the thrust of a solid rocket motor. This presents a first step toward the development of new propulsion models using density variations verse mass ejection as the mechanism for thrust. Further, through the Chameleon Model connection, these new propulsion models can be tied to dark energy/dark matter toward new space propulsion systems utilizing the vacuum scalar field in a way understandable by engineers, the key toward the development of such systems. This paper provides corrections to the Chameleon rocket model in Robertson (2009b).« less

Simulation of glioblastoma multiforme (GBM) tumor cells using ising model on the Creutz Cellular Automaton

NASA Astrophysics Data System (ADS)

Züleyha, Artuç; Ziya, Merdan; Selçuk, Yeşiltaş; Kemal, Öztürk M.; Mesut, Tez

2017-11-01

Computational models for tumors have difficulties due to complexity of tumor nature and capacities of computational tools, however, these models provide visions to understand interactions between tumor and its micro environment. Moreover computational models have potential to develop strategies for individualized treatments for cancer. To observe a solid brain tumor, glioblastoma multiforme (GBM), we present a two dimensional Ising Model applied on Creutz cellular automaton (CCA). The aim of this study is to analyze avascular spherical solid tumor growth, considering transitions between non tumor cells and cancer cells are like phase transitions in physical system. Ising model on CCA algorithm provides a deterministic approach with discrete time steps and local interactions in position space to view tumor growth as a function of time. Our simulation results are given for fixed tumor radius and they are compatible with theoretical and clinic data.

Transformation of Swine Manure and Algal Consortia to Value-added Products

NASA Astrophysics Data System (ADS)

Sharara, Mahmoud A.

The swine production sector is projected to grow globally. In the past, this growth manifested itself in increased herd sizes and geographically concentrated production. Although economically sound, these trends had negative consequences on surrounding ecosystems. Over-application of manure resulted in water quality degradation, while long-term storage of manure slurries was found to promote release of potent GHG emissions. There is a need for innovative approaches for swine manure management that are compatible with current scales of production, and increasingly strict environmental regulations. This study aims to investigate the potential for incorporating gasification as part of a novel swine manure management system which utilizes liquid-solid separation and periphytic algal consortia as a phycoremediation vector for the liquid slurry. The gasification of swine manure solids, and algal biomass solids generate both a gaseous fuel product (producer gas) in addition to a biochar co-product. First, the decomposition kinetics for both feedstock, i.e., swine manure solids, and algal solids, were quantified using thermogravimetry at different heating rates (1 ~ 40°C min-1) under different atmospheres (nitrogen, and air). Pyrolysis kinetics were determined for manure solids from two farms with different manure management systems. Similarly, the pyrolysis kinetics were determined for phycoremediation algae grown on swine manure slurries. Modeling algal solids pyrolysis as first-order independent parallel reactions was sufficient to describe sample devolatilization. Combustion of swine manure solids blended with algal solids, at different ratios, showed no synergistic effects. Gasification of phycoremediation algal biomass was studied using a bench-scale auger gasification system at temperatures between 760 and 960°C. The temperature profile suggested a stratification of reaction zones common to fixed-bed reactors. The producer gas heating value ranged between 2.2 MJ m-3 at 760°C, and 3.6 MJ m-3 at 960°C. Finally, life cycle assessment (LCA) was used to evaluate a proposed swine manure management system that includes a thermochemical conversion sub-system: drying, gasification, and producer-gas combustion (boiler). Liquid manure storage (uncovered tank) was the biggest contributor to GHG emissions. Liquid slurry management stages were credited with the highest fossil fuel use. Improvements to separation and drying technologies can improve this conversion scenario.

A visual LISP program for voxelizing AutoCAD solid models

NASA Astrophysics Data System (ADS)

Marschallinger, Robert; Jandrisevits, Carmen; Zobl, Fritz

2015-01-01

AutoCAD solid models are increasingly recognized in geological and geotechnical 3D modeling. In order to bridge the currently existing gap between AutoCAD solid models and the grid modeling realm, a Visual LISP program is presented that converts AutoCAD solid models into voxel arrays. Acad2Vox voxelizer works on a 3D-model that is made up of arbitrary non-overlapping 3D-solids. After definition of the target voxel array geometry, 3D-solids are scanned at grid positions and properties are streamed to an ASCII output file. Acad2Vox has a novel voxelization strategy that combines a hierarchical reduction of sampling dimensionality with an innovative use of AutoCAD-specific methods for a fast and memory-saving operation. Acad2Vox provides georeferenced, voxelized analogs of 3D design data that can act as regions-of-interest in later geostatistical modeling and simulation. The Supplement includes sample geological solid models with instructions for practical work with Acad2Vox.

Simulation of Non-Acoustic Combustion Instability in a Hybrid Rocket Motor

NASA Technical Reports Server (NTRS)

Rocker, Marvin

1999-01-01

A transient model of a hybrid motor was formulated to study the cause and elimination of non-acoustic combustion instability. The transient model was used to simulate four key tests out of a series of seventeen hybrid motor tests conducted by Thiokol, Rocketdyne and Martin Marietta at NASA/Marshall Space Flight Center (NASAIMSFC). These tests were performed under the Hybrid Propulsion Technology for Launch Vehicle Boosters (HPTLVB) program. The first test resulted in stable combustion. The second test resulted in large-amplitude, 6.5 Hz chamber pressure oscillations that gradually damped away by the end of the test. The third test resulted in large-amplitude, 7.5 Hz chamber pressure oscillations that were sustained throughout the test. The seventh test resulted in the elimination of combustion instability with the installation of an orifice immediately upstream of the injector. The formulation and implementation of the model are the scope of this presentation. The current model is an independent continuation of modeling presented previously by joint Thiokol-Rocketdyne collaborators Boardman, Hawkins, Wassom, and Claflin. The previous model simulated an unstable IR&D hybrid motor test performed by Thiokol. There was very good agreement between the model and the test data. Like the previous model, the current model was developed using Matrix-x simulation software. However, the tests performed at NASA/MSFC under the HPTLVB program were actually simulated. In the current model, the hybrid motor consisting of the liquid oxygen (LOX) injector, the multi-port solid fuel grain and the nozzle was simulated. Also, simulated in the model was the LOX feed system consisting of the tank, venturi, valve and feed lines. All components of the hybrid motor and LOX feed system are treated by a lumped-parameter approach. Agreement between the results of the transient model and the actual test data was very good. This agreement between simulated and actual test data indicated that the combustion instability in the hybrid motor was due to two causes. The first cause was a LOX feed system of insufficient stiffness. The second cause was a LOX injector with an impedance or pressure drop that was too low to provide damping against the feed system oscillations. Also, it was discovered that testing with a new grain of solid fuel sustained the combustion instability. However, testing with a used grain of solid fuel caused the combustion instability to gradually decay.

Simulation of Non-Acoustic Combustion Instability in a Hybrid Rocket Motor

NASA Technical Reports Server (NTRS)

Rocker, Marvin

1999-01-01

A transient model of a hybrid motor was formulated to study the cause and elimination of non-acoustic combustion instability. The transient model was used to simulate four key tests out of a series of seventeen hybrid motor tests conducted by Thiokol, Rocketdyne and Martin Marietta at NASA/Marshall Space Flight Center (NASA/MSFC). These tests were performed under the Hybrid Propulsion Technology for Launch Vehicle Boosters (HPTLVB) program. The first test resulted in stable combustion. The second test resulted in large-amplitude, 6.5 Hz chamber pressure oscillations that gradually damped away by the end of the test. The third test resulted in large-amplitude, 7.5 Hz chamber pressure oscillations that were sustained throughout the test. The seventh test resulted in the elimination of combustion instability with the installation of an orifice immediately upstream of the injector. The formulation and implementation of the model are the scope of this presentation. The current model is an independent continuation of modeling presented previously by joint Thiokol-Rocketdyne collaborators Boardman, Hawkins, Wassom, and Claflin. The previous model simulated an unstable IR&D hybrid motor test performed by Thiokol. There was very good agreement between the model and the test data. Like the previous model, the current model was developed using Matrix-x simulation software. However, the tests performed at NASA/MSFC under the HPTLVB program were actually simulated. In the current model, the hybrid motor consisting of the liquid oxygen (LOX) injector, the multi-port solid fuel grain and the nozzle was simulated. Also, simulated in the model was the LOX feed system consisting of the tank, venturi, valve and feed lines. All components of the hybrid motor and LOX feed system are treated by a lumped-parameter approach. Agreement between the results of the transient model and the actual test data was very good. This agreement between simulated and actual test data indicated that the combustion instability in the hybrid motor was due to two causes. The first cause was a LOX feed system of insufficient stiffness. The second cause was a LOX injector with an impedance or pressure drop that was too low to provide damping against the feed system oscillations. Also, it was discovered that testing with a new grain of solid fuel sustained the combustion instability. However, testing with a used grain of solid fuel caused the combustion instability to gradually decay.

Mesoscale modeling of strain induced solid state amorphization in crystalline materials

NASA Astrophysics Data System (ADS)

Lei, Lei

Solid state amorphization, and in particular crystalline to amorphous transformation, can be observed in metallic alloys, semiconductors, intermetallics, minerals, and also molecular crystals when they undergo irradiation, hydrogen gas dissolution, thermal interdiffusion, mechanical alloying, or mechanical milling. Although the amorphization mechanisms may be different, the transformation occurs due to the high level of disorder introduced into the material. Milling induced solid state amorphization is proposed to be the result of accumulation of crystal defects, specifically dislocations, as the material is subjected to large deformations during the high energy process. Thus, understanding the deformation mechanisms of crystalline materials will be the first step in studying solid state amorphization in crystalline materials, which not only has scientific contributions, but also technical consequences. A phase field dislocation dynamics (PFDD) approach is employed in this work to simulate plastic deformation of molecular crystals. This PFDD model has the advantage of tracking all of the dislocations in a material simultaneously. The model takes into account the elastic interaction between dislocations, the lattice resistance to dislocation motion, and the elastic interaction of dislocations with an external stress field. The PFDD model is employed to describe the deformation of molecular crystals with pharmaceutical applications, namely, single crystal sucrose, acetaminophen, gamma-indomethacin, and aspirin. Stress-strain curves are produced that result in expected anisotropic material response due to the activation of different slip systems and yield stresses that agree well with those from experiments. The PFDD model is coupled to a phase transformation model to study the relation between plastic deformation and the solid state amorphization of crystals that undergo milling. This model predicts the amorphous volume fraction in excellent agreement with experimental observation. Finally, we incorporate the effect of stress free surfaces to model the behavior of dislocations close to these surfaces and in the presence of voids.

Reaction paths and equilibrium end-points in solid-solution aqueous-solution systems

USGS Publications Warehouse

Glynn, P.D.; Reardon, E.J.; Plummer, Niel; Busenberg, E.

1990-01-01

Equations are presented describing equilibrium in binary solid-solution aqueous-solution (SSAS) systems after a dissolution, precipitation, or recrystallization process, as a function of the composition and relative proportion of the initial phases. Equilibrium phase diagrams incorporating the concept of stoichiometric saturation are used to interpret possible reaction paths and to demonstrate relations between stoichiometric saturation, primary saturation, and thermodynamic equilibrium states. The concept of stoichiometric saturation is found useful in interpreting and putting limits on dissolution pathways, but there currently is no basis for possible application of this concept to the prediction and/ or understanding of precipitation processes. Previously published dissolution experiments for (Ba, Sr)SO4 and (Sr, Ca)C??O3orth. solids are interpreted using equilibrium phase diagrams. These studies show that stoichiometric saturation can control, or at least influence, initial congruent dissolution pathways. The results for (Sr, Ca)CO3orth. solids reveal that stoichiometric saturation can also control the initial stages of incongruent dissolution, despite the intrinsic instability of some of the initial solids. In contrast, recrystallisation experiments in the highly soluble KCl-KBr-H2O system demonstrate equilibrium. The excess free energy of mixing calculated for K(Cl, Br) solids is closely modeled by the relation GE = ??KBr??KClRT[a0 + a1(2??KBr-1)], where a0 is 1.40 ?? 0.02, a1, is -0.08 ?? 0.03 at 25??C, and ??KBr and ??KCl are the mole fractions of KBr and KCl in the solids. The phase diagram constructed using this fit reveals an alyotropic maximum located at ??KBr = 0.676 and at a total solubility product, ???? = [K+]([Cl-] + [Br-]) = 15.35. ?? 1990.

Generation of high powers from diode pumped chromium-3+ doped colquiriites

NASA Astrophysics Data System (ADS)

Eichenholz, Jason Matthew

1998-12-01

There is considerable interest in the area of laser diode pumped solid-state lasers. Diode pumped solid-state lasers (DPSSL) operating at high average power levels are attractive light sources for various applications such as materials processing, laser radar, and fundamental physics experiments. These laser systems have become more commonplace because of their efficiency, reliability, compactness, low relative cost, and long operational lifetimes. Induced thermal effects in the solid-state laser medium hinder the scaling of DPSSL's to higher average power levels. Therefore a deep insight into the thermo-mechanical properties of the solid state laser is crucial in order to ensure a laser design which is optimized for high average power operation. A comprehensive study of the factors that contribute to thermal loading of the colquiriites was performed. A three-dimensional thermal model has been created to determine the temperature rise inside the laser crystal. This new model calculates the temperature distribution by considering quantum defect, upconversion, and upper-state lifetime quenching as heating sources. The thermally induced lensing in end pumped Cr3+ doped LiSrAlF6, LiSrGaF6, LiSrCaAlF6, and LiCaAlF6 were experimentally measured. Several diode pumped colquiriite laser systems were assembled to quantitatively observe and identify thermally induced effects. Significant differences in each of the colquiriite materials were observed. These differences are explained by the differences in the thermo-mechanical and thermo-optical properties of the material and are explained by the theoretical thermal model.

Interaction of the Climate System and the Solid Earth: Analysis of Observations and Models

NASA Technical Reports Server (NTRS)

Bryan, Frank

2001-01-01

Under SENH funding we have carried out a number of diverse analyses of interactions of the climate system (atmosphere, ocean, land surface hydrology) with the solid Earth. While the original work plan emphasized analysis of excitation of variations in Earth rotation, with a lesser emphasis on time variable gravity, opportunities that developed during the proposal period in connection with preparations for the GRACE mission led us to a more balanced effort between these two topics. The results of our research are outlined in several topical sections: (1) oceanic excitation of variations in Earth rotation; (2) short period atmosphere-ocean excitation of variations in Earth rotation; (3) analysis of coupled climate system simulation; (4) observing system simulation studies for GRACE mission design; and (5) oceanic response to atmospheric pressure loading.

Comparative Analyses of Creep Models of a Solid Propellant

NASA Astrophysics Data System (ADS)

Zhang, J. B.; Lu, B. J.; Gong, S. F.; Zhao, S. P.

2018-05-01

The creep experiments of a solid propellant samples under five different stresses are carried out at 293.15 K and 323.15 K. In order to express the creep properties of this solid propellant, the viscoelastic model i.e. three Parameters solid, three Parameters fluid, four Parameters solid, four Parameters fluid and exponential model are involved. On the basis of the principle of least squares fitting, and different stress of all the parameters for the models, the nonlinear fitting procedure can be used to analyze the creep properties. The study shows that the four Parameters solid model can best express the behavior of creep properties of the propellant samples. However, the three Parameters solid and exponential model cannot very well reflect the initial value of the creep process, while the modified four Parameters models are found to agree well with the acceleration characteristics of the creep process.

Two-phase thermodynamic model for computing entropies of liquids reanalyzed

NASA Astrophysics Data System (ADS)

Sun, Tao; Xian, Jiawei; Zhang, Huai; Zhang, Zhigang; Zhang, Yigang

2017-11-01

The two-phase thermodynamic (2PT) model [S.-T. Lin et al., J. Chem. Phys. 119, 11792-11805 (2003)] provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics. In this model, the vibrational density of states (VDoS) of a liquid is decomposed into a diffusive gas-like component and a vibrational solid-like component. By treating the diffusive component as hard sphere (HS) gas and the vibrational component as harmonic oscillators, the ionic entropy of the liquid is determined. Here we examine three issues crucial for practical implementations of the 2PT model: (i) the mismatch between the VDoS of the liquid system and that of the HS gas; (ii) the excess entropy of the HS gas; (iii) the partition of the gas-like and solid-like components. Some of these issues have not been addressed before, yet they profoundly change the entropy predicted from the model. Based on these findings, a revised 2PT formalism is proposed and successfully tested in systems with Lennard-Jones potentials as well as many-atom potentials of liquid metals. Aside from being capable of performing quick entropy estimations for a wide range of systems, the formalism also supports fine-tuning to accurately determine entropies at specific thermal states.

Equilibrium studies of oxalate and aluminum containing solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hay, M. S.; King, W. D.; Peters, T. B.

2015-11-01

The Savannah River National Laboratory (SRNL) was tasked to develop data on the solubility and conditions leading to precipitation of sodium oxalate, sodium nitrate, Bayerite (a polymorph of gibbsite, Al(OH) 3), and sodium aluminosilicate solids recently found in the Modular Caustic Side Solvent Extraction Unit (MCU). The data generated will be used to improve the OLI Systems thermodynamic database for these compounds allowing better prediction of solids formation by the modeling software in the future.

FAST TRACK COMMUNICATION Unexpected systematic degeneracy in a system of two coupled Gaudin models with homogeneous couplings

NASA Astrophysics Data System (ADS)

Erbe, B.; Schliemann, J.

2010-12-01

We report an unexpected systematic degeneracy between different multiplets in an inversion symmetric system of two coupled Gaudin models with homogeneous couplings, as occurring for example in the context of solid state quantum information processing. We construct the full degenerate subspace (being of macroscopic dimension), which turns out to lie in the kernel of the commutator between the two Gaudin models and the coupling term. Finally we investigate to what extent the degeneracy is related to the inversion symmetry of the system and find that indeed there is a large class of systems showing the same type of degeneracy.

Variable-amplitude oscillatory shear response of amorphous materials.

PubMed

Perchikov, Nathan; Bouchbinder, Eran

2014-06-01

Variable-amplitude oscillatory shear tests are emerging as powerful tools to investigate and quantify the nonlinear rheology of amorphous solids, complex fluids, and biological materials. Quite a few recent experimental and atomistic simulation studies demonstrated that at low shear amplitudes, an amorphous solid settles into an amplitude- and initial-conditions-dependent dissipative limit cycle, in which back-and-forth localized particle rearrangements periodically bring the system to the same state. At sufficiently large shear amplitudes, the amorphous system loses memory of the initial conditions, exhibits chaotic particle motions accompanied by diffusive behavior, and settles into a stochastic steady state. The two regimes are separated by a transition amplitude, possibly characterized by some critical-like features. Here we argue that these observations support some of the physical assumptions embodied in the nonequilibrium thermodynamic, internal-variables based, shear-transformation-zone model of amorphous viscoplasticity; most notably that "flow defects" in amorphous solids are characterized by internal states between which they can make transitions, and that structural evolution is driven by dissipation associated with plastic deformation. We present a rather extensive theoretical analysis of the thermodynamic shear-transformation-zone model for a variable-amplitude oscillatory shear protocol, highlighting its success in accounting for various experimental and simulational observations, as well as its limitations. Our results offer a continuum-level theoretical framework for interpreting the variable-amplitude oscillatory shear response of amorphous solids and may promote additional developments.

A transferable force field for CdS-CdSe-PbS-PbSe solid systems

NASA Astrophysics Data System (ADS)

Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; van Huis, Marijn A.; Vlugt, Thijs J. H.

2014-12-01

A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

Distributed mixed-integer fuzzy hierarchical programming for municipal solid waste management. Part I: System identification and methodology development.

PubMed

Cheng, Guanhui; Huang, Guohe; Dong, Cong; Xu, Ye; Chen, Xiujuan; Chen, Jiapei

2017-03-01

Due to the existence of complexities of heterogeneities, hierarchy, discreteness, and interactions in municipal solid waste management (MSWM) systems such as Beijing, China, a series of socio-economic and eco-environmental problems may emerge or worsen and result in irredeemable damages in the following decades. Meanwhile, existing studies, especially ones focusing on MSWM in Beijing, could hardly reflect these complexities in system simulations and provide reliable decision support for management practices. Thus, a framework of distributed mixed-integer fuzzy hierarchical programming (DMIFHP) is developed in this study for MSWM under these complexities. Beijing is selected as a representative case. The Beijing MSWM system is comprehensively analyzed in many aspects such as socio-economic conditions, natural conditions, spatial heterogeneities, treatment facilities, and system complexities, building a solid foundation for system simulation and optimization. Correspondingly, the MSWM system in Beijing is discretized as 235 grids to reflect spatial heterogeneity. A DMIFHP model which is a nonlinear programming problem is constructed to parameterize the Beijing MSWM system. To enable scientific solving of it, a solution algorithm is proposed based on coupling of fuzzy programming and mixed-integer linear programming. Innovations and advantages of the DMIFHP framework are discussed. The optimal MSWM schemes and mechanism revelations will be discussed in another companion paper due to length limitation.

Mathematical modeling of ethanol production in solid-state fermentation based on solid medium' dry weight variation.

PubMed

Mazaheri, Davood; Shojaosadati, Seyed Abbas; Zamir, Seyed Morteza; Mousavi, Seyyed Mohammad

2018-04-21

In this work, mathematical modeling of ethanol production in solid-state fermentation (SSF) has been done based on the variation in the dry weight of solid medium. This method was previously used for mathematical modeling of enzyme production; however, the model should be modified to predict the production of a volatile compound like ethanol. The experimental results of bioethanol production from the mixture of carob pods and wheat bran by Zymomonas mobilis in SSF were used for the model validation. Exponential and logistic kinetic models were used for modeling the growth of microorganism. In both cases, the model predictions matched well with the experimental results during the exponential growth phase, indicating the good ability of solid medium weight variation method for modeling a volatile product formation in solid-state fermentation. In addition, using logistic model, better predictions were obtained.

Environmental modelling of use of treated organic waste on agricultural land: a comparison of existing models for life cycle assessment of waste systems.

PubMed

Hansen, Trine Lund; Christensen, Thomas Højlund; Schmidt, Sonia

2006-04-01

Modelling of environmental impacts from the application of treated organic municipal solid waste (MSW) in agriculture differs widely between different models for environmental assessment of waste systems. In this comparative study five models were examined concerning quantification and impact assessment of environmental effects from land application of treated organic MSW: DST (Decision Support Tool, USA), IWM (Integrated Waste Management, U.K.), THE IFEU PROJECT (Germany), ORWARE (ORganic WAste REsearch, Sweden) and EASEWASTE (Environmental Assessment of Solid Waste Systems and Technologies, Denmark). DST and IWM are life cycle inventory (LCI) models, thus not performing actual impact assessment. The DST model includes only one water emission (biological oxygen demand) from compost leaching in the results and IWM considers only air emissions from avoided production of commercial fertilizers. THE IFEU PROJECT, ORWARE and EASEWASTE are life cycle assessment (LCA) models containing more detailed land application modules. A case study estimating the environmental impacts from land application of 1 ton of composted source sorted organic household waste was performed to compare the results from the different models and investigate the origin of any difference in type or magnitude of the results. The contributions from the LCI models were limited and did not depend on waste composition or local agricultural conditions. The three LCA models use the same overall approach for quantifying the impacts of the system. However, due to slightly different assumptions, quantification methods and environmental impact assessment, the obtained results varied clearly between the models. Furthermore, local conditions (e.g. soil type, farm type, climate and legal regulation) and waste composition strongly influenced the results of the environmental assessment.

Modeling of circulating fluised beds for post-combustion carbon capture

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, A.; Shadle, L.; Miller, D.

2011-01-01

A compartment based model for a circulating fluidized bed reactor has been developed based on experimental observations of riser hydrodynamics. The model uses a cluster based approach to describe the two-phase behavior of circulating fluidized beds. Fundamental mass balance equations have been derived to describe the movement of both gas and solids though the system. Additional work is being performed to develop the correlations required to describe the hydrodynamics of the system. Initial testing of the model with experimental data shows promising results and highlights the importance of including end effects within the model.

Novel electrical energy storage system based on reversible solid oxide cells: System design and operating conditions

NASA Astrophysics Data System (ADS)

Wendel, C. H.; Kazempoor, P.; Braun, R. J.

2015-02-01

Electrical energy storage (EES) is an important component of the future electric grid. Given that no other widely available technology meets all the EES requirements, reversible (or regenerative) solid oxide cells (ReSOCs) working in both fuel cell (power producing) and electrolysis (fuel producing) modes are envisioned as a technology capable of providing highly efficient and cost-effective EES. However, there are still many challenges and questions from cell materials development to system level operation of ReSOCs that should be addressed before widespread application. This paper presents a novel system based on ReSOCs that employ a thermal management strategy of promoting exothermic methanation within the ReSOC cell-stack to provide thermal energy for the endothermic steam/CO2 electrolysis reactions during charging mode (fuel producing). This approach also serves to enhance the energy density of the stored gases. Modeling and parametric analysis of an energy storage concept is performed using a physically based ReSOC stack model coupled with thermodynamic system component models. Results indicate that roundtrip efficiencies greater than 70% can be achieved at intermediate stack temperature (680 °C) and elevated stack pressure (20 bar). The optimal operating condition arises from a tradeoff between stack efficiency and auxiliary power requirements from balance of plant hardware.

Inducing rostrum interfacial waves by fluid-solid coupling in a Chinese river dolphin (Lipotes vexillifer )

NASA Astrophysics Data System (ADS)

Song, Zhongchang; Zhang, Yu; Wei, Chong; Wang, Xianyan

2016-01-01

Through numerically solving the appropriate wave equations, propagation of biosonar signals in a Chinese river dolphin (baiji) was studied. The interfacial waves along the rostrum-tissue interfaces, including both compressional (longitudinal) and shear (transverse) waves in the solid rostrum through fluid-solid coupling were examined. The baiji's rostrum was found to effect acoustic beam formation not only as an interfacial wave generator but also as a sound reflector. The wave propagation patterns in the solid rostrum were found to significantly change the wave movement through the bone. Vibrations in the rostrum, expressed in solid displacement, initially increased but eventually decreased from posterior to anterior sides, indicating a complex physical process. Furthermore, the comparisons among seven cases, including the combination of (1) the rostrum, melon, and air sacs; (2) rostrum-air sacs; (3) rostrum-melon; (4) only rostrum; (5) air sacs-melon; (6) only air sacs; and (7) only melon revealed that the cases including the rostrum were better able to approach the complete system by inducing rostrum-tissue interfacial waves and reducing the differences in main beam angle and -3 dB beam width. The interfacial waves in the rostrum were considered complementary with reflection to determine the obbligato role of the rostrum in the baiji's biosonar emission. The far-field beams formed from complete fluid-solid models and non-fluid-solid models were compared to reveal the effects brought by the consideration of shear waves of the solid structures of the baiji. The results may provide useful information for further understanding the role of the rostrum in this odontocete species.

Inducing rostrum interfacial waves by fluid-solid coupling in a Chinese river dolphin (Lipotesvexillifer).

PubMed

Song, Zhongchang; Zhang, Yu; Wei, Chong; Wang, Xianyan

2016-01-01

Through numerically solving the appropriate wave equations, propagation of biosonar signals in a Chinese river dolphin (baiji) was studied. The interfacial waves along the rostrum-tissue interfaces, including both compressional (longitudinal) and shear (transverse) waves in the solid rostrum through fluid-solid coupling were examined. The baiji's rostrum was found to effect acoustic beam formation not only as an interfacial wave generator but also as a sound reflector. The wave propagation patterns in the solid rostrum were found to significantly change the wave movement through the bone. Vibrations in the rostrum, expressed in solid displacement, initially increased but eventually decreased from posterior to anterior sides, indicating a complex physical process. Furthermore, the comparisons among seven cases, including the combination of (1) the rostrum, melon, and air sacs; (2) rostrum-air sacs; (3) rostrum-melon; (4) only rostrum; (5) air sacs-melon; (6) only air sacs; and (7) only melon revealed that the cases including the rostrum were better able to approach the complete system by inducing rostrum-tissue interfacial waves and reducing the differences in main beam angle and -3 dB beam width. The interfacial waves in the rostrum were considered complementary with reflection to determine the obbligato role of the rostrum in the baiji's biosonar emission. The far-field beams formed from complete fluid-solid models and non-fluid-solid models were compared to reveal the effects brought by the consideration of shear waves of the solid structures of the baiji. The results may provide useful information for further understanding the role of the rostrum in this odontocete species.

Procedure for implementation of temperature-dependent mechanical property capability in the Engineering Analysis Language (EAL) system

NASA Technical Reports Server (NTRS)

Glass, David E.; Robinson, James C.

1990-01-01

A procedure is presented to allow the use of temperature dependent mechanical properties in the Engineering Analysis Language (EAL) System for solid structural elements. This is accomplished by including a modular runstream in the main EAL runstream. The procedure is applicable for models with multiple materials and with anisotropic properties, and can easily be incorporated into an existing EAL runstream. The procedure (which is applicable for EAL elastic solid elements) is described in detail, followed by a description of the validation of the routine. A listing of the EAL runstream used to validate the procedure is included in the Appendix.

Formation of the Giant Planets by Concurrent Accretion of Solids and Gas

NASA Technical Reports Server (NTRS)

Hubickyj, Olenka

1997-01-01

Models were developed to simulate planet formation. Three major phases are characterized in the simulations: (1) planetesimal accretion rate, which dominates that of gas, rapidly increases owing to runaway accretion, then decreases as the planet's feeding zone is depleted; (2) occurs when both solid and gas accretion rates are small and nearly independent of time; and (3) starts when the solid and gas masses are about equal and is marked by runaway gas accretion. The models applicability to planets in our Solar System are judged using two basic "yardsticks". The results suggest that the solar nebula dissipated while Uranus and Neptune were in the second phase, during which, for a relatively long time, the masses of their gaseous envelopes were small but not negligible compared to the total masses. Background information, results and a published article are included in the report.

3D reconstruction of microminiature objects based on contour line

NASA Astrophysics Data System (ADS)

Li, Cailin; Wang, Qiang; Guo, Baoyun

2009-10-01

A new 3D automatic reconstruction method of micro solid of revolution is presented in this paper. In the implementation procedure of this method, image sequence of the solid of revolution of 360° is obtained, which rotation speed is controlled by motor precisely, in the rotate photographic mode of back light. Firstly, we need calibrate the height of turntable, the size of pixel and rotation axis of turntable. Then according to the calibration result of rotation axis, the height of turntable, rotation angle and the pixel size, the contour points of each image can be transformed into 3D points in the reference coordinate system to generate the point cloud model. Finally, the surface geometrical model of solid of revolution is obtained by using the relationship of two adjacent contours. Experimental results on real images are presented, which demonstrate the effectiveness of the Approach.

A simulation model for probabilistic analysis of Space Shuttle abort modes

NASA Technical Reports Server (NTRS)

Hage, R. T.

1993-01-01

A simulation model which was developed to provide a probabilistic analysis tool to study the various space transportation system abort mode situations is presented. The simulation model is based on Monte Carlo simulation of an event-tree diagram which accounts for events during the space transportation system's ascent and its abort modes. The simulation model considers just the propulsion elements of the shuttle system (i.e., external tank, main engines, and solid boosters). The model was developed to provide a better understanding of the probability of occurrence and successful completion of abort modes during the vehicle's ascent. The results of the simulation runs discussed are for demonstration purposes only, they are not official NASA probability estimates.

Tilts, dopants, vacancies and non-stoichiometry: Understanding and designing the properties of complex solid oxide perovskites from first principles

NASA Astrophysics Data System (ADS)

Bennett, Joseph W.

Perovskite oxides of formula ABO3 have a wide range of structural, electrical and mechanical properties, making them vital materials for many applications, such as catalysis, ultrasound machines and communication devices. Perovskite solid solutions with high piezoelectric response, such as ferroelectrics, are of particular interest as they can be employed as sensors in SONAR devices. Ferroelectric materials are unique in that their chemical and electrical properties can be non-invasively and reversibly changed, by switching the bulk polarization. This makes ferroelectrics useful for applications in non-volatile random access memory (NVRAM) devices. Perovskite solid solutions with a lower piezoelectric response than ferroelectrics are important for communication technology, as they function well as electroceramic capacitors. Also of interest is how these materials act as a component in a solid oxide fuel cell, as they can function as an efficient source of energy. Altering the chemical composition of these solid oxide materials offers an opportunity to change the desired properties of the final ceramic, adding a degree of flexibility that is advantageous for a variety of applications. These solid oxides are complex, sometimes disordered systems that are a challenge to study experimentally. However, as it is their complexity which produces favorable properties, highly accurate modeling which captures the essential features of the disordered structure is necessary to explain the behavior of current materials and predict favorable compositions for new materials. Methodological improvements and faster computer speeds have made first-principles and atomistic calculations a viable tool for understanding these complex systems. Offering a combination of accuracy and computational speed, the density functional theory (DFT) approach can reveal details about the microscopic structure and interactions of complex systems. Using DFT and a combination of principles from both inorganic chemistry and materials science, I have been able to gain insights into solid oxide perovskite-based systems.

Numerical Modeling of Interstitial Fluid Flow Coupled with Blood Flow through a Remodeled Solid Tumor Microvascular Network

PubMed Central

Soltani, M.; Chen, P.

2013-01-01

Modeling of interstitial fluid flow involves processes such as fluid diffusion, convective transport in extracellular matrix, and extravasation from blood vessels. To date, majority of microvascular flow modeling has been done at different levels and scales mostly on simple tumor shapes with their capillaries. However, with our proposed numerical model, more complex and realistic tumor shapes and capillary networks can be studied. Both blood flow through a capillary network, which is induced by a solid tumor, and fluid flow in tumor’s surrounding tissue are formulated. First, governing equations of angiogenesis are implemented to specify the different domains for the network and interstitium. Then, governing equations for flow modeling are introduced for different domains. The conservation laws for mass and momentum (including continuity equation, Darcy’s law for tissue, and simplified Navier–Stokes equation for blood flow through capillaries) are used for simulating interstitial and intravascular flows and Starling’s law is used for closing this system of equations and coupling the intravascular and extravascular flows. This is the first study of flow modeling in solid tumors to naturalistically couple intravascular and extravascular flow through a network. This network is generated by sprouting angiogenesis and consisting of one parent vessel connected to the network while taking into account the non-continuous behavior of blood, adaptability of capillary diameter to hemodynamics and metabolic stimuli, non-Newtonian blood flow, and phase separation of blood flow in capillary bifurcation. The incorporation of the outlined components beyond the previous models provides a more realistic prediction of interstitial fluid flow pattern in solid tumors and surrounding tissues. Results predict higher interstitial pressure, almost two times, for realistic model compared to the simplified model. PMID:23840579

Langevin Dynamics with Spatial Correlations as a Model for Electron-Phonon Coupling

NASA Astrophysics Data System (ADS)

Tamm, A.; Caro, M.; Caro, A.; Samolyuk, G.; Klintenberg, M.; Correa, A. A.

2018-05-01

Stochastic Langevin dynamics has been traditionally used as a tool to describe nonequilibrium processes. When utilized in systems with collective modes, traditional Langevin dynamics relaxes all modes indiscriminately, regardless of their wavelength. We propose a generalization of Langevin dynamics that can capture a differential coupling between collective modes and the bath, by introducing spatial correlations in the random forces. This allows modeling the electronic subsystem in a metal as a generalized Langevin bath endowed with a concept of locality, greatly improving the capabilities of the two-temperature model. The specific form proposed here for the spatial correlations produces a physical wave-vector and polarization dependency of the relaxation produced by the electron-phonon coupling in a solid. We show that the resulting model can be used for describing the path to equilibration of ions and electrons and also as a thermostat to sample the equilibrium canonical ensemble. By extension, the family of models presented here can be applied in general to any dense system, solids, alloys, and dense plasmas. As an example, we apply the model to study the nonequilibrium dynamics of an electron-ion two-temperature Ni crystal.

The Earth System Model

NASA Technical Reports Server (NTRS)

Schoeberl, Mark; Rood, Richard B.; Hildebrand, Peter; Raymond, Carol

2003-01-01

The Earth System Model is the natural evolution of current climate models and will be the ultimate embodiment of our geophysical understanding of the planet. These models are constructed from components - atmosphere, ocean, ice, land, chemistry, solid earth, etc. models and merged together through a coupling program which is responsible for the exchange of data from the components. Climate models and future earth system models will have standardized modules, and these standards are now being developed by the ESMF project funded by NASA. The Earth System Model will have a variety of uses beyond climate prediction. The model can be used to build climate data records making it the core of an assimilation system, and it can be used in OSSE experiments to evaluate. The computing and storage requirements for the ESM appear to be daunting. However, the Japanese ES theoretical computing capability is already within 20% of the minimum requirements needed for some 2010 climate model applications. Thus it seems very possible that a focused effort to build an Earth System Model will achieve succcss.

Solid rocket motor cost model

NASA Technical Reports Server (NTRS)

Harney, A. G.; Raphael, L.; Warren, S.; Yakura, J. K.

1972-01-01

A systematic and standardized procedure for estimating life cycle costs of solid rocket motor booster configurations. The model consists of clearly defined cost categories and appropriate cost equations in which cost is related to program and hardware parameters. Cost estimating relationships are generally based on analogous experience. In this model the experience drawn on is from estimates prepared by the study contractors. Contractors' estimates are derived by means of engineering estimates for some predetermined level of detail of the SRM hardware and program functions of the system life cycle. This method is frequently referred to as bottom-up. A parametric cost analysis is a useful technique when rapid estimates are required. This is particularly true during the planning stages of a system when hardware designs and program definition are conceptual and constantly changing as the selection process, which includes cost comparisons or trade-offs, is performed. The use of cost estimating relationships also facilitates the performance of cost sensitivity studies in which relative and comparable cost comparisons are significant.

Bilayer membrane interactions with nanofabricated scaffolds

DOE PAGES

Collier, C. Patrick

2015-07-29

Membrane function is facilitated by lateral organization within the lipid bilayer, including phase-separation of lipids into more ordered domains (lipid rafts) and anchoring of the membrane to a cytoskeleton. These features have proven difficult to reproduce in model membrane systems such as black lipid membranes, unilamellar vesicles and supported bilayers. However, advances in micro/nanofabrication have resulted in more realistic synthetic models of membrane-cytoskeleton interactions that can help uncover the design rules responsible for biological membrane formation and organization. This review will focus on describing micro-/nanostructured scaffolds that can emulate the connections of a cellular membrane to an underlying “cytoskeleton”. Thismore » includes molecular-based scaffolds anchored to a solid substrate through surface chemistry, solid-state supports modified by material deposition, lithography and etching, the creation of micro/nanoporous arrays, integration with microfluidics, and droplet-based bilayers at interfaces. Lastly, model systems such as these are increasing our understanding of structure and organization in cell membranes, and how they result in the emergence of functionality at the nanoscale.« less

Heat Transfer and Fluid Transport of Supercritical CO 2 in Enhanced Geothermal System with Local Thermal Non-equilibrium Model

DOE PAGES

Zhang, Le; Luo, Feng; Xu, Ruina; ...

2014-12-31

The heat transfer and fluid transport of supercritical CO 2 in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity ofmore » volumetric heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.« less

A Population Pharmacokinetic Model for a Solid Oral Tablet Formulation of Posaconazole.

PubMed

van Iersel, Marlou L P S; Rossenu, Stefaan; de Greef, Rik; Waskin, Hetty

2018-04-30

A delayed-release solid tablet formulation that releases posaconazole in the small intestine was developed to maximize systemic absorption. This study aimed to characterize the pharmacokinetics of the posaconazole solid tablet formulation in adult subjects and to investigate the potential impact of demographic and clinical factors on posaconazole exposure through a population pharmacokinetic approach. Nonlinear mixed-effects modeling was performed using data from several studies conducted in healthy volunteers and patients. The influence of demographic and clinical factors on pharmacokinetic parameters was evaluated using a stepwise forward inclusion/backward exclusion procedure. The final pharmacokinetic model was used to simulate posaconazole exposure in patients at high risk for invasive fungal diseases treated with the proposed posaconazole dose of 300 mg twice daily on day 1, followed by 300 mg daily for 27 days. A one-compartment pharmacokinetic model with sequential zero-order and first-order absorption and a first-order disposition from the central compartment adequately described the pharmacokinetic profile of the posaconazole solid tablet formulation. Significant covariates included disease state (acute myeloid leukemia/myelodysplasia vs allogeneic hematopoietic stem cell transplantation), body weight, and formulation on bioavailability; food status on first-order absorption rate; and dosing regimen (single dose vs multiple doses) on clearance. Except for body weight, the impact of these covariates on posaconazole exposure was considered clinically irrelevant. This population pharmacokinetic analysis confirmed that the proposed dose of the posaconazole solid tablet formulation provides adequate target therapeutic exposure (>0.5 mg/l) to a broad range of patients at high risk for invasive fungal disease. Copyright © 2018 American Society for Microbiology.

Performance and Cost Evaluation of Cryogenic Solid Propulsion Systems

NASA Astrophysics Data System (ADS)

Adirim, Harry; Lo, Roger; Knecht, Thomas; Reinbold, Georg-Friedrich; Poller, Sascha

2002-01-01

Under the sponsorship of the German Aerospace Center DLR, Cryogenic Solid Propulsion (CSP) is now in its 6th year of R&D. The development proceeds as a joint international university-, small business-, space industry- and professional research effort (Berlin University of Technology / AI: Aerospace Institute, Berlin / Bauman Moscow State Technical University, Russia / ASTRIUM GmbH, Bremen / Fraunhofer Institute for Chemical Technology, Berghausen). This paper aims at introducing CSP as a novel type of chemical propellant that uses frozen liquids as Oxygen (SOX) or Hydrogen Peroxide (SH2O2) inside of a coherent solid Hydrocarbon (PE, PU or HTPB) matrix in solid rocket motors. Theoretically any conceivable chemical rocket propellant combination (including any environmentally benign ,,green propellant") can be used in solid rocket propellant motors if the definition of solids is not restricted to "solid at ambient temperature". The CSP concept includes all suitable high energy propellant combinations, but is not limited to them. Any liquid or hybrid bipropellant combination is (Isp-wise) superior to any conventional solid propellant formulation. While CSPs do share some of the disadvantages of solid propulsion (e.g. lack of cooling fluid and preset thrust-time function), they definitely share one of their most attractive advantages: the low number of components that is the base for high reliability and low cost of structures. In this respect, CSPs are superior to liquid propellant rocket motors with whom, they share the high Isp performance. High performance, low cost, low pollution CSP technology could bring about a near term improvement for chemical Earth-to-orbit high thrust propulsion. In the long run it could surpass conventional chemical propulsion because it is better suited for applying High Energy Density Matter (HEDM) than any other mode of propulsion. So far, ongoing preliminary analyses have not shown any insuperable problems in areas of concern, such as cooling equipment and its operation during fabrication and launch, neither were there problems with thrust to weight ratio of un-cooled but insulated Cryogenic Solid Motors which ascend into their trajectory while leaving the cooling equipment at the launch pad. In performance calculations for new launchers with CSP-replacements of boosters or existing stages, ARIANE 5 and a 3-stage launcher with CSP - 1st stage into GTO serve as examples. For keeping payload-capacity in the reference orbit constant, the modeling of a rocket system essentially requires a process of iteration, in which the propellant mass is varied as central parameter and - with the help of a CSP mass-model - all other dimensions of the booster are derived from mass models etc. accordingly. The process is repeated until the payload resulting from GTO track-optimization corresponds with that of the model ARIANE 5 in sufficient approximation. Under the assumptions made, the application of cryogenic motors lead to a clear reduction of the launch mass. This is essentially caused by the lower propellant mass and secondary by the reduced structure mass. Finally cost calculations have been made by ASTRIUM and demonstrated the cost saving potential of CSP propulsion. For estimating development, production, ground facilities, and operating cost, the parametric cost modeling tool has been used in combination with Cost Estimating Relationships (CER). Parametric cost models only allow comparative analyses, therefore ARIANE 5 in its current (P1) configuration has been estimated using the same mission model as for the CSP launcher. As conclusion of these cost assessment can be stated, that the utilization of cryogenic solid propulsion could offer a considerable cost savings potential. Academic and industrial cooperation is crucial for the challenging R&D work required. It will take the combined capacities of all experts involved to unlock the promises of clean, high Isp CSP propulsion for chemical Earth-to-orbit transportation in next 10 to 15 years to come.

Evaluation of the recrystallization kinetics of hot-melt extruded polymeric solid dispersions using an improved Avrami equation

PubMed Central

Feng, Xin; Ye, Xingyou; Park, Jun-Bom; Lu, Wenli; Morott, Joe; Beissner, Brad; Lian, Zhuoyang John; Pinto, Elanor; Bi, Vivian; Porter, Stu; Durig, Tom; Majumdar, Soumyajit; Repka, Michael A.

2017-01-01

The recrystallization of an amorphous drug in a solid dispersion system could lead to a loss in the drug solubility and bioavailability. The primary objective of the current research was to use an improved kinetic model to evaluate the recrystallization kinetics of amorphous structures and to further understand the factors influencing the physical stability of amorphous solid dispersions. Amorphous solid dispersions of fenofibrate with different molecular weights of hydroxypropylcellulose, HPC (Klucel™ LF, EF, ELF) were prepared utilizing hot-melt extrusion technology. Differential scanning calorimetry was utilized to quantitatively analyze the extent of recrystallization in the samples stored at different temperatures and relative humidity (RH) conditions. The experimental data were fitted into the improved kinetics model of a modified Avrami equation to calculate the recrystallization rate constants. Klucel LF, the largest molecular weight among the HPCs used, demonstrated the greatest inhibition of fenofibrate recrystallization. Additionally, the recrystallization rate (k) decreased with increasing polymer content, however exponentially increased with higher temperature. Also k increased linearly rather than exponentially over the range of RH studied. PMID:25224341

Evaluation of the recrystallization kinetics of hot-melt extruded polymeric solid dispersions using an improved Avrami equation.

PubMed

Feng, Xin; Ye, Xingyou; Park, Jun-Bom; Lu, Wenli; Morott, Joe; Beissner, Brad; Lian, Zhuoyang John; Pinto, Elanor; Bi, Vivian; Porter, Stu; Durig, Tom; Majumdar, Soumyajit; Repka, Michael A

2015-01-01

The recrystallization of an amorphous drug in a solid dispersion system could lead to a loss in the drug solubility and bioavailability. The primary objective of the current research was to use an improved kinetic model to evaluate the recrystallization kinetics of amorphous structures and to further understand the factors influencing the physical stability of amorphous solid dispersions. Amorphous solid dispersions of fenofibrate with different molecular weights of hydroxypropylcellulose, HPC (Klucel™ LF, EF, ELF) were prepared utilizing hot-melt extrusion technology. Differential scanning calorimetry was utilized to quantitatively analyze the extent of recrystallization in the samples stored at different temperatures and relative humidity (RH) conditions. The experimental data were fitted into the improved kinetics model of a modified Avrami equation to calculate the recrystallization rate constants. Klucel LF, the largest molecular weight among the HPCs used, demonstrated the greatest inhibition of fenofibrate recrystallization. Additionally, the recrystallization rate (k) decreased with increasing polymer content, however exponentially increased with higher temperature. Also k increased linearly rather than exponentially over the range of RH studied.

A system dynamic modeling approach for evaluating municipal solid waste generation, landfill capacity and related cost management issues.

PubMed

Kollikkathara, Naushad; Feng, Huan; Yu, Danlin

2010-11-01

As planning for sustainable municipal solid waste management has to address several inter-connected issues such as landfill capacity, environmental impacts and financial expenditure, it becomes increasingly necessary to understand the dynamic nature of their interactions. A system dynamics approach designed here attempts to address some of these issues by fitting a model framework for Newark urban region in the US, and running a forecast simulation. The dynamic system developed in this study incorporates the complexity of the waste generation and management process to some extent which is achieved through a combination of simpler sub-processes that are linked together to form a whole. The impact of decision options on the generation of waste in the city, on the remaining landfill capacity of the state, and on the economic cost or benefit actualized by different waste processing options are explored through this approach, providing valuable insights into the urban waste-management process. Copyright © 2010 Elsevier Ltd. All rights reserved.

Elastic constants from microscopic strain fluctuations

PubMed

Sengupta; Nielaba; Rao; Binder

2000-02-01

Fluctuations of the instantaneous local Lagrangian strain epsilon(ij)(r,t), measured with respect to a static "reference" lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse-grained by averaging them within subsystems (of size L(b)) of a system (of total size L) in the canonical ensemble. Using a simple finite size scaling theory we predict the behavior of the fluctuations as a function of L(b)/L and extract elastic constants of the system in the thermodynamic limit at nonzero temperature. Our method is simple to implement, efficient, and general enough to be able to handle a wide class of model systems, including those with singular potentials without any essential modification. We illustrate the technique by computing isothermal elastic constants of "hard" and "soft" disk triangular solids in two dimensions from Monte Carlo and molecular dynamics simulations. We compare our results with those from earlier simulations and theory.

A system dynamic modeling approach for evaluating municipal solid waste generation, landfill capacity and related cost management issues

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kollikkathara, Naushad, E-mail: naushadkp@gmail.co; Feng Huan; Yu Danlin

2010-11-15

As planning for sustainable municipal solid waste management has to address several inter-connected issues such as landfill capacity, environmental impacts and financial expenditure, it becomes increasingly necessary to understand the dynamic nature of their interactions. A system dynamics approach designed here attempts to address some of these issues by fitting a model framework for Newark urban region in the US, and running a forecast simulation. The dynamic system developed in this study incorporates the complexity of the waste generation and management process to some extent which is achieved through a combination of simpler sub-processes that are linked together to formmore » a whole. The impact of decision options on the generation of waste in the city, on the remaining landfill capacity of the state, and on the economic cost or benefit actualized by different waste processing options are explored through this approach, providing valuable insights into the urban waste-management process.« less

Calculation of a solid/liquid surface tension: A methodological study

NASA Astrophysics Data System (ADS)

Dreher, T.; Lemarchand, C.; Soulard, L.; Bourasseau, E.; Malfreyt, P.; Pineau, N.

2018-01-01

The surface tension of a model solid/liquid interface constituted of a graphene sheet surrounded by liquid methane has been computed using molecular dynamics in the Kirkwood-Buff formalism. We show that contrary to the fluid/fluid case, the solid/liquid case can lead to different structurations of the first fluid layer, leading to significantly different values of surface tension. Therefore we present a statistical approach that consists in running a series of molecular simulations of similar systems with different initial conditions, leading to a distribution of surface tensions from which an average value and uncertainty can be extracted. Our results suggest that these distributions converge as the system size increases. Besides we show that surface tension is not particularly sensitive to the choice of the potential energy cutoff and that long-range corrections can be neglected contrary to what we observed in the liquid/vapour interfaces. We have not observed the previously reported commensurability effect.

Implementation of a multi-variable regression analysis in the assessment of the generation rate and composition of hospital solid waste for the design of a sustainable management system in developing countries.

PubMed

Al-Khatib, Issam A; Abu Fkhidah, Ismail; Khatib, Jumana I; Kontogianni, Stamatia

2016-03-01

Forecasting of hospital solid waste generation is a critical challenge for future planning. The composition and generation rate of hospital solid waste in hospital units was the field where the proposed methodology of the present article was applied in order to validate the results and secure the outcomes of the management plan in national hospitals. A set of three multiple-variable regression models has been derived for estimating the daily total hospital waste, general hospital waste, and total hazardous waste as a function of number of inpatients, number of total patients, and number of beds. The application of several key indicators and validation procedures indicates the high significance and reliability of the developed models in predicting the hospital solid waste of any hospital. Methodology data were drawn from existent scientific literature. Also, useful raw data were retrieved from international organisations and the investigated hospitals' personnel. The primal generation outcomes are compared with other local hospitals and also with hospitals from other countries. The main outcome, which is the developed model results, are presented and analysed thoroughly. The goal is this model to act as leverage in the discussions among governmental authorities on the implementation of a national plan for safe hospital waste management in Palestine. © The Author(s) 2016.

Experimental validation of solid rocket motor damping models

NASA Astrophysics Data System (ADS)

Riso, Cristina; Fransen, Sebastiaan; Mastroddi, Franco; Coppotelli, Giuliano; Trequattrini, Francesco; De Vivo, Alessio

2017-12-01

In design and certification of spacecraft, payload/launcher coupled load analyses are performed to simulate the satellite dynamic environment. To obtain accurate predictions, the system damping properties must be properly taken into account in the finite element model used for coupled load analysis. This is typically done using a structural damping characterization in the frequency domain, which is not applicable in the time domain. Therefore, the structural damping matrix of the system must be converted into an equivalent viscous damping matrix when a transient coupled load analysis is performed. This paper focuses on the validation of equivalent viscous damping methods for dynamically condensed finite element models via correlation with experimental data for a realistic structure representative of a slender launch vehicle with solid rocket motors. A second scope of the paper is to investigate how to conveniently choose a single combination of Young's modulus and structural damping coefficient—complex Young's modulus—to approximate the viscoelastic behavior of a solid propellant material in the frequency band of interest for coupled load analysis. A scaled-down test article inspired to the Z9-ignition Vega launcher configuration is designed, manufactured, and experimentally tested to obtain data for validation of the equivalent viscous damping methods. The Z9-like component of the test article is filled with a viscoelastic material representative of the Z9 solid propellant that is also preliminarily tested to investigate the dependency of the complex Young's modulus on the excitation frequency and provide data for the test article finite element model. Experimental results from seismic and shock tests performed on the test configuration are correlated with numerical results from frequency and time domain analyses carried out on its dynamically condensed finite element model to assess the applicability of different equivalent viscous damping methods to describe damping properties of slender launch vehicles in payload/launcher coupled load analysis.

Experimental validation of solid rocket motor damping models

NASA Astrophysics Data System (ADS)

Riso, Cristina; Fransen, Sebastiaan; Mastroddi, Franco; Coppotelli, Giuliano; Trequattrini, Francesco; De Vivo, Alessio

2018-06-01

In design and certification of spacecraft, payload/launcher coupled load analyses are performed to simulate the satellite dynamic environment. To obtain accurate predictions, the system damping properties must be properly taken into account in the finite element model used for coupled load analysis. This is typically done using a structural damping characterization in the frequency domain, which is not applicable in the time domain. Therefore, the structural damping matrix of the system must be converted into an equivalent viscous damping matrix when a transient coupled load analysis is performed. This paper focuses on the validation of equivalent viscous damping methods for dynamically condensed finite element models via correlation with experimental data for a realistic structure representative of a slender launch vehicle with solid rocket motors. A second scope of the paper is to investigate how to conveniently choose a single combination of Young's modulus and structural damping coefficient—complex Young's modulus—to approximate the viscoelastic behavior of a solid propellant material in the frequency band of interest for coupled load analysis. A scaled-down test article inspired to the Z9-ignition Vega launcher configuration is designed, manufactured, and experimentally tested to obtain data for validation of the equivalent viscous damping methods. The Z9-like component of the test article is filled with a viscoelastic material representative of the Z9 solid propellant that is also preliminarily tested to investigate the dependency of the complex Young's modulus on the excitation frequency and provide data for the test article finite element model. Experimental results from seismic and shock tests performed on the test configuration are correlated with numerical results from frequency and time domain analyses carried out on its dynamically condensed finite element model to assess the applicability of different equivalent viscous damping methods to describe damping properties of slender launch vehicles in payload/launcher coupled load analysis.

TU-FG-209-09: Mathematical Estimation and Experimental Measurement of Patient Free-In-Air Skin Entrance Exposure During a Panoramic Dental X-Ray Procedure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Errico, A; Behrman, R; Li, B

Purpose: To develop a simple mathematical model for estimating the patient free-in-air skin entrance exposure (SEE) during a panoramic dental x-ray that does not require the use of a head phantom. This eliminates issues associated with phantom centering and the mounting of a detector on the phantom for routine QC testing. Methods: We used a Sirona Orthophos XG panoramic radiographic unit and a Radcal Accu-Gold system for this study. A solid state detector was attached over the slit of the Orthophos’ sensor with the help of a custom-built jig. A single measurement of the free-in-air exposure at this position wasmore » taken over a full panoramic scan. A mathematical model for estimating the SEE was developed based upon this measurement, the system geometry, x-ray field beam width, and x-ray sweep angle. To validate the model, patient geometry was simulated by a 16 cm diameter PMMA CTDI phantom centered at the machine’s isocenter. Measurements taken on the phantom’s surface were made using a solid state detector with lead backing, an ion chamber, and the ion chamber with the phantom wrapped in lead to mitigate backscatter. Measurements were taken near the start position of the tube and at 90 degrees from the start position. Results: Using the solid state detector, the average SEE was 23.5+/−0.02 mR and 55.5+/−0.08 mR at 64 kVp and 73 kVp, respectively. With the lead-wrapping, the measurements from the ion chamber matched those of the solid state detector to within 0.1%. Preliminary results gave the difference between the mathematical model and the phantom measurements to be approximately 5% at both kVps. Conclusion: Reasonable estimates of patient SEE for panoramic dental radiography can be made using a simple mathematical model without the need for a head phantom.« less

An immersed-boundary method for flow–structure interaction in biological systems with application to phonation

PubMed Central

Luo, Haoxiang; Mittal, Rajat; Zheng, Xudong; Bielamowicz, Steven A.; Walsh, Raymond J.; Hahn, James K.

2008-01-01

A new numerical approach for modeling a class of flow–structure interaction problems typically encountered in biological systems is presented. In this approach, a previously developed, sharp-interface, immersed-boundary method for incompressible flows is used to model the fluid flow and a new, sharp-interface Cartesian grid, immersed boundary method is devised to solve the equations of linear viscoelasticity that governs the solid. The two solvers are coupled to model flow–structure interaction. This coupled solver has the advantage of simple grid generation and efficient computation on simple, single-block structured grids. The accuracy of the solid-mechanics solver is examined by applying it to a canonical problem. The solution methodology is then applied to the problem of laryngeal aerodynamics and vocal fold vibration during human phonation. This includes a three-dimensional eigen analysis for a multi-layered vocal fold prototype as well as two-dimensional, flow-induced vocal fold vibration in a modeled larynx. Several salient features of the aerodynamics as well as vocal-fold dynamics are presented. PMID:19936017

Optimal robust control strategy of a solid oxide fuel cell system

NASA Astrophysics Data System (ADS)

Wu, Xiaojuan; Gao, Danhui

2018-01-01

Optimal control can ensure system safe operation with a high efficiency. However, only a few papers discuss optimal control strategies for solid oxide fuel cell (SOFC) systems. Moreover, the existed methods ignore the impact of parameter uncertainty on system instantaneous performance. In real SOFC systems, several parameters may vary with the variation of operation conditions and can not be identified exactly, such as load current. Therefore, a robust optimal control strategy is proposed, which involves three parts: a SOFC model with parameter uncertainty, a robust optimizer and robust controllers. During the model building process, boundaries of the uncertain parameter are extracted based on Monte Carlo algorithm. To achieve the maximum efficiency, a two-space particle swarm optimization approach is employed to obtain optimal operating points, which are used as the set points of the controllers. To ensure the SOFC safe operation, two feed-forward controllers and a higher-order robust sliding mode controller are presented to control fuel utilization ratio, air excess ratio and stack temperature afterwards. The results show the proposed optimal robust control method can maintain the SOFC system safe operation with a maximum efficiency under load and uncertainty variations.

Transdermal solid delivery of epigallocatechin-3-gallate using self-double-emulsifying drug delivery system as vehicle: Formulation, evaluation and vesicle-skin interaction.

PubMed

Hu, Caibiao; Gu, Chengyu; Fang, Qiao; Wang, Qiang; Xia, Qiang

2016-02-01

The present study investigated a self-double-emulsifying drug delivery system loaded with epigallocatechin-3-gallate to improve epigallocatechin-3-gallate skin retention. The long chain solid lipids (cetostearyl alcohol) and macadamia oil were utilized as a carrier to deliver the bioactive ingredient. Response surface methodology was used to optimize the formulation, and the solid lipid to total lipid weight ratio, concentration of epigallocatechin-3-gallate and hydrophilic surfactant on skin retention were found to be the principal factors. The optimum formulation with high encapsulation efficiency (95.75%), self-double-emulsification performance (99.58%) and skin retention (87.24%) were derived from the fitted models and experimentally examined, demonstrating a reasonable agreement between experimental and predicted values. Epigallocatechin-3-gallate-self-double-emulsifying drug delivery system was found to be stable for 3 months. Transdermal studies could explain a higher skin diffusion of epigallocatechin-3-gallate from the self-double-emulsifying drug delivery system compared with EGCG aqueous solution. In vitro cytotoxicity showed that epigallocatechin-3-gallate-self-double-emulsifying drug delivery system did not exert hazardous effect on L929 cells up to 1:10. © The Author(s) 2015.

The Measurement of the Surface Energy of Solids by Sessile Drop Accelerometry

NASA Astrophysics Data System (ADS)

Calvimontes, Alfredo

2018-05-01

A new physical method, the sessile drop accelerometry (SDACC) for the study and measurement of the interfacial energies of solid-liquid-gas systems, is tested and discussed in this study. The laboratory instrument and technique—a combination of a drop shape analyzer with high-speed camera and a laboratory drop tower- and the evaluation algorithms, were designed to calculate the interfacial energies as a function of the geometrical changes of a sessile droplet shape due to the effect of "switching off" gravity during the experiment. The method bases on Thermodynamics of Interfaces and differs from the conventional approach of the two hundred-years-old Young's equation in that it assumes a thermodynamic equilibrium between interfaces, rather than a balance of tensions on a point of the solid-liquid-gas contour line. A comparison of the mathematical model that supports the method with the widely accepted Young`s equation is discussed in detail in this study. The method opens new possibilities to develop surface characterization procedures by submitting the solid-liquid-system to artificial generated and uniform force fields.

Optimization of biodiesel synthesis by esterification using a fermented solid produced by Rhizopus microsporus on sugarcane bagasse.

PubMed

Botton, Vanderleia; Piovan, Leandro; Meier, Henry França; Mitchell, David Alexander; Cordova, Jesús; Krieger, Nadia

2018-04-01

A fermented solid containing lipases was produced by solid-state fermentation of Rhizopus microsporus on sugarcane bagasse enriched with urea, soybean oil, and a mineral solution. The dry fermented solid produced using R. microsporus (RMFS) was used to catalyze the synthesis of alkyl-esters by esterification in a solvent-free system containing ethanol and oleic acid (as a model system) or a mixture of fatty acids obtained from the physical hydrolysis of soybean soapstock acid oil (FA-SSAO) in subcritical water. The conversions were 93.5 and 84.1%, for oleic acid and FA-SSAO, respectively, at 48 h and 40 °C, at a molar ratio (MR) of ethanol to fatty acid of 5:1. A further increase in the MR to 10:1 improved the production of ethylic-esters, giving conversions at 48 h of 98 and 86% for oleic acid and FA-SSAO, respectively. The results obtained in this work foster further studies on scaling-up of an environmentally friendly process to produce biofuels.

Electrocoagulation efficiency of the tannery effluent treatment using aluminium electrodes.

PubMed

Espinoza-Quiñones, Fernando R; Fornari, Marilda M T; Módenes, Aparecido N; Palácio, Soraya M; Trigueros, Daniela E G; Borba, Fernando H; Kroumov, Alexander D

2009-01-01

An electro-coagulation laboratory scale system using aluminium plates electrodes was studied for the removal of organic and inorganic pollutants as a by-product from leather finishing industrial process. A fractional factorial 2(3) experimental design was applied in order to obtain optimal values of the system state variables. The electro-coagulation (EC) process efficiency was based on the chemical oxygen demand (COD), turbidity, total suspended solid, total fixed solid, total volatile solid, and chemical element concentration values. Analysis of variance (ANOVA) for final pH, total fixed solid (TFS), turbidity and Ca concentration have confirmed the predicted models by the experimental design within a 95% confidence level. The reactor working conditions close to real effluent pH (7.6) and electrolysis time in the range 30-45 min were enough to achieve the cost effective reduction factors of organic and inorganic pollutants' concentrations. An appreciable improvement in COD removal efficiency was obtained for electro-coagulation treatment. Finally, the technical-economical analysis results have clearly shown that the electro-coagulation method is very promising for industrial application.

Flow Mapping in a Gas-Solid Riser via Computer Automated Radioactive Particle Tracking (CARPT)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muthanna Al-Dahhan; Milorad P. Dudukovic; Satish Bhusarapu

2005-06-04

Statement of the Problem: Developing and disseminating a general and experimentally validated model for turbulent multiphase fluid dynamics suitable for engineering design purposes in industrial scale applications of riser reactors and pneumatic conveying, require collecting reliable data on solids trajectories, velocities ? averaged and instantaneous, solids holdup distribution and solids fluxes in the riser as a function of operating conditions. Such data are currently not available on the same system. Multiphase Fluid Dynamics Research Consortium (MFDRC) was established to address these issues on a chosen example of circulating fluidized bed (CFB) reactor, which is widely used in petroleum and chemicalmore » industry including coal combustion. This project addresses the problem of lacking reliable data to advance CFB technology. Project Objectives: The objective of this project is to advance the understanding of the solids flow pattern and mixing in a well-developed flow region of a gas-solid riser, operated at different gas flow rates and solids loading using the state-of-the-art non-intrusive measurements. This work creates an insight and reliable database for local solids fluid-dynamic quantities in a pilot-plant scale CFB, which can then be used to validate/develop phenomenological models for the riser. This study also attempts to provide benchmark data for validation of Computational Fluid Dynamic (CFD) codes and their current closures. Technical Approach: Non-Invasive Computer Automated Radioactive Particle Tracking (CARPT) technique provides complete Eulerian solids flow field (time average velocity map and various turbulence parameters such as the Reynolds stresses, turbulent kinetic energy, and eddy diffusivities). It also gives directly the Lagrangian information of solids flow and yields the true solids residence time distribution (RTD). Another radiation based technique, Computed Tomography (CT) yields detailed time averaged local holdup profiles at various planes. Together, these two techniques can provide the needed local solids flow dynamic information for the same setup under identical operating conditions, and the data obtained can be used as a benchmark for development, and refinement of the appropriate riser models. For the above reasons these two techniques were implemented in this study on a fully developed section of the riser. To derive the global mixing information in the riser, accurate solids RTD is needed and was obtained by monitoring the entry and exit of a single radioactive tracer. Other global parameters such as Cycle Time Distribution (CTD), overall solids holdup in the riser, solids recycle percentage at the bottom section of the riser were evaluated from different solids travel time distributions. Besides, to measure accurately and in-situ the overall solids mass flux, a novel method was applied.« less

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass

NASA Astrophysics Data System (ADS)

Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

2013-06-01

The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant CQ ∝ |Vzz| and the asymmetry parameter ηQ that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass.

PubMed

Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

2013-06-26

The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant C(Q) is proportional to |V(zz)| and the asymmetry parameter η(Q) that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

Systems Thinking in Action: A District Perspective

ERIC Educational Resources Information Center

Ford, Leslie Goldring

2008-01-01

Research on the enduring contribution of leadership to student achievement can be integrated as part of a system planning model. This article offers a formative sample in the convergence of two dissimilar forces: (1) the stability of school culture, whose rock-solid nature resembles a tectonic plate; and (2) the flowing energy of administrators…

Model documentation: Renewable Fuels Module of the National Energy Modeling System

NASA Astrophysics Data System (ADS)

1994-04-01

This report documents the objectives, analytical approach, and design of the National Energy Modeling System (NEMS) Renewable Fuels Module (RFM) as it related to the production of the 1994 Annual Energy Outlook (AEO94) forecasts. The report catalogues and describes modeling assumptions, computational methodologies, data inputs, and parameter estimation techniques. A number of offline analyses used in lieu of RFM modeling components are also described. This documentation report serves two purposes. First, it is a reference document for model analysts, model users, and the public interested in the construction and application of the RFM. Second, it meets the legal requirement of the Energy Information Administration (EIA) to provide adequate documentation in support of its models. The RFM consists of six analytical submodules that represent each of the major renewable energy resources -- wood, municipal solid waste (MSW), solar energy, wind energy, geothermal energy, and alcohol fuels. Of these six, four are documented in the following chapters: municipal solid waste, wind, solar and biofuels. Geothermal and wood are not currently working components of NEMS. The purpose of the RFM is to define the technological and cost characteristics of renewable energy technologies, and to pass these characteristics to other NEMS modules for the determination of mid-term forecasted renewable energy demand.

Thermodynamic assessment of the Sn-Co lead-free solder system

NASA Astrophysics Data System (ADS)

Liu, Libin; Andersson, Cristina; Liu, Johan

2004-09-01

The Sn-Co-Cu eutectic alloy can be a less expensive alternative for the Sn-Ag-Cu alloy. In order to find the eutectic solder composition of the Sn-Co-Cu system, the Sn-Co binary system has been thoroughly assessed with the calculation of phase diagram (CALPHAD) method. The liquid phase, the FCC and HCP Co-rich solid solution, and the BCT Sn-rich solid solution have been described by the Redlich-Kister model. The Hillert-Jarl-Inden model has been used to describe the magnetic contributions to Gibbs energy in FCC and HCP. The CoSn2, CoSn, Co3Sn2_β, and Co3Sn2_α phases have been treated as stoichiometric phases. A series of thermodynamic parameters have been obtained. The calculated phase diagram and thermodynamic properties are in good agreement with the experimental data. The obtained thermodynamic data was used to extrapolate the ternary Sn-Co-Cu phase diagram. The composition of the Sn-rich eutectic point of the Sn-Co-Cu system was found to be 224°C, 0.4% Co, and 0.7% Cu.

The formation of Uranus and Neptune in the Jupiter-Saturn region of the Solar System.

PubMed

Thommes, E W; Duncan, M J; Levison, H F

1999-12-09

Planets are believed to have formed through the accumulation of a large number of small bodies. In the case of the gas-giant planets Jupiter and Saturn, they accreted a significant amount of gas directly from the protosolar nebula after accumulating solid cores of about 5-15 Earth masses. Such models, however, have been unable to produce the smaller ice giants Uranus and Neptune at their present locations, because in that region of the Solar System the small planetary bodies will have been more widely spaced, and less tightly bound gravitationally to the Sun. When applied to the current Jupiter-Saturn zone, a recent theory predicts that, in addition to the solid cores of Jupiter and Saturn, two or three other solid bodies of comparable mass are likely to have formed. Here we report the results of model calculations that demonstrate that such cores will have been gravitationally scattered outwards as Jupiter, and perhaps Saturn, accreted nebular gas. The orbits of these cores then evolve into orbits that resemble those of Uranus and Neptune, as a result of gravitational interactions with the small bodies in the outer disk of the protosolar nebula.

Sublimation systems and associated methods

DOEpatents

Turner, Terry D.; McKellar, Michael G.; Wilding, Bruce M.

2016-02-09

A system for vaporizing and sublimating a slurry comprising a fluid including solid particles therein. The system includes a first heat exchanger configured to receive the fluid including solid particles and vaporize the fluid and a second heat exchanger configured to receive the vaporized fluid and solid particles and sublimate the solid particles. A method for vaporizing and sublimating a fluid including solid particles therein is also disclosed. The method includes feeding the fluid including solid particles to a first heat exchanger, vaporizing the fluid, feeding the vaporized fluid and solid particles to a second heat exchanger and sublimating the solid particles. In some embodiments the fluid including solid particles is liquid natural gas or methane including solid carbon dioxide particles.

Nitramine Composite Solid Propellant Modelling

DTIC Science & Technology

1989-07-01

nonshaded areas, Sox values of zero are calculated for the various configurations indicated. The upper shaded area corresponds to one- half cf the...results: QDX ST Q X P F -XP QX "X TsX - To Gs X+ + Cf l sT),X +(l-Xf) ,X (134) In the above equations, and in the ones that follow, the solid phase...Surface Warfare Center, White Oak Laboratory, Silver Spring Code R10, S. Jacobs (1) Code R16, Dr. G. B. Wilmot (1) 1 Naval Underwater Systems Center

First Principles Modeling of Structure and Transport in Solid Polymer Electrolytes, Ionic Liquids, and Methanol/Water Mixtures

DTIC Science & Technology

2016-02-10

potential in making high- performance solid state lithium ion batteries [1,2]. Among them, the polyethylene oxide-alkali salts systems PEO6:XPF6 (X = H...electrolytes for magnesium batteries incorporating chloro- or iodo- ionic liquids. Much of this work was done in collaboration with the experimental group...magnesium batteries incorporating chloro- or iodo- ionic liquids. Much of this work was done in collaboration with the experimental group of Prof. Vito Di

Mechanistic Physiologically Based Pharmacokinetic Modeling of the Dissolution and Food Effect of a Biopharmaceutics Classification System IV Compound-The Venetoclax Story.

PubMed

Emami Riedmaier, Arian; Lindley, David J; Hall, Jeffrey A; Castleberry, Steven; Slade, Russell T; Stuart, Patricia; Carr, Robert A; Borchardt, Thomas B; Bow, Daniel A J; Nijsen, Marjoleen

2018-01-01

Venetoclax, a selective B-cell lymphoma-2 inhibitor, is a biopharmaceutics classification system class IV compound. The aim of this study was to develop a physiologically based pharmacokinetic (PBPK) model to mechanistically describe absorption and disposition of an amorphous solid dispersion formulation of venetoclax in humans. A mechanistic PBPK model was developed incorporating measured amorphous solubility, dissolution, metabolism, and plasma protein binding. A middle-out approach was used to define permeability. Model predictions of oral venetoclax pharmacokinetics were verified against clinical studies of fed and fasted healthy volunteers, and clinical drug interaction studies with strong CYP3A inhibitor (ketoconazole) and inducer (rifampicin). Model verification demonstrated accurate prediction of the observed food effect following a low-fat diet. Ratios of predicted versus observed C max and area under the curve of venetoclax were within 0.8- to 1.25-fold of observed ratios for strong CYP3A inhibitor and inducer interactions, indicating that the venetoclax elimination pathway was correctly specified. The verified venetoclax PBPK model is one of the first examples mechanistically capturing absorption, food effect, and exposure of an amorphous solid dispersion formulated compound. This model allows evaluation of untested drug-drug interactions, especially those primarily occurring in the intestine, and paves the way for future modeling of biopharmaceutics classification system IV compounds. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Plutonium partitioning in three-phase systems with water, granite grains, and different colloids.

PubMed

Xie, Jinchuan; Lin, Jianfeng; Zhou, Xiaohua; Li, Mei; Zhou, Guoqing

2014-01-01

Low-solubility contaminants with high affinity for colloid surfaces may form colloid-associated species. The mobile characteristics of this species are, however, ignored by the traditional sorption/distribution experiments in which colloidal species contributed to the immobile fraction of the contaminants retained on the solids as a result of centrifugation or ultrafiltration procedures. The mobility of the contaminants in subsurface environments might be underestimated accordingly. Our results show that colloidal species of (239)Pu in three-phase systems remained the highest percentages in comparison to both the dissolved species and the immobile species retained on the granite grains (solid phase), although the relative fraction of these three species depended on the colloid types. The real solid/liquid distribution coefficients (K s/d) experimentally determined were generally smaller than the traditional K s/d (i.e., the K s+c/d in this study) by ~1,000 mL/g for the three-phase systems with the mineral colloids (granite particle, soil colloid, or kaolinite colloid). For the humic acid system, the traditional K s/d was 140 mL/g, whereas the real K s/d was approximately zero. The deviations from the real solid/liquid K s/d were caused by the artificially increased immobile fraction of Pu. One has to be cautious in using K s/d-based transport models to predict the fate and transport of Pu in the environment.

Condensation versus diffusion. A spatial-scale-independent theory of aggregate structures in edible oils: applications to model systems and commercial shortenings studied via rheology and USAXS

NASA Astrophysics Data System (ADS)

Pink, David A.; Peyronel, Fernanda; Quinn, Bonnie; Singh, Pratham; Marangoni, Alejandro G.

2015-09-01

Understanding how solid fats structures come about in edible oils and quantifying their structures is of fundamental importance in developing edible oils with pre-selected characteristics. We considered the great range of fractal dimensions, from 1.91 to 2.90, reported from rheological measurements. We point out that, if the structures arise via DLA/RLA or DLCA/RLCA, as has been established using ultra small angle x-ray scattering (USAXS), we would expect fractal dimensions in the range ~1.7 to 2.1, and ~2.5 or ~3.0. We present new data for commercial fats and show that the fractal dimensions deduced lie outside these values. We have developed a model in which competition between two processes can lead to the range of fractal dimensions observed. The two processes are (i) the rate at which the solid fat particles are created as the temperature is decreased, and (ii) the rate at which these particles diffuse, thereby meeting and forming aggregates. We assumed that aggregation can take place essentially isotropically and we identified two characteristic times: a time characterizing the rate of creation of solid fats, {τ\\text{create}}(T)\\equiv 1/{{R}S}(T) , where {{R}S}(T) is the rate of solid condensation (cm3 s-1), and the diffusion time of solid fats, {τ\\text{diff}}≤ft(T,{{c}S}\\right)=< {{r}2}> /6{D}≤ft(T,{{c}S}\\right) , where {D}≤ft(T,{{c}S}\\right) is their diffusion coefficient and < {{r}2}> is the typical average distance that fats must move in order to aggregate. The intent of this model is to show that a simple process can lead to a wide range of fractal dimensions. We showed that in the limit of very fast solid creation, {τ\\text{create}}\\ll {τ\\text{diff}} the fractal dimension is predicted to be that of DLCA, ~1.7, relaxing to that of RLCA, 2.0-2.1, and that in the limit of very slow solid creation, {τ\\text{create}}\\gg {τ\\text{diff}} , the fractal dimension is predicted to be that obtained via DLA, ~2.5, relaxing to that of RLA, 3.0. We predict that, given a system which satisfies our model assumptions and which can either be cooled rapidly or cooled slowly to yield fractal dimensions {{D}\\text{rapid}} and {{D}\\text{slow}}~ then {{D}\\text{rapid}}≤slant {{D}\\text{slow}} . This is supported by both rheological [1] and USAXS measurements [2, 3] even though the latter models do not conform to the assumptions of those presented here.

Modeling Methodologies for Design and Control of Solid Oxide Fuel Cell APUs

NASA Astrophysics Data System (ADS)

Pianese, C.; Sorrentino, M.

2009-08-01

Among the existing fuel cell technologies, Solid Oxide Fuel Cells (SOFC) are particularly suitable for both stationary and mobile applications, due to their high energy conversion efficiencies, modularity, high fuel flexibility, low emissions and noise. Moreover, the high working temperatures enable their use for efficient cogeneration applications. SOFCs are entering in a pre-industrial era and a strong interest for designing tools has growth in the last years. Optimal system configuration, components sizing, control and diagnostic system design require computational tools that meet the conflicting needs of accuracy, affordable computational time, limited experimental efforts and flexibility. The paper gives an overview on control-oriented modeling of SOFC at both single cell and stack level. Such an approach provides useful simulation tools for designing and controlling SOFC-APUs destined to a wide application area, ranging from automotive to marine and airplane APUs.

Modelling and control of solid oxide fuel cell generation system in microgrid

NASA Astrophysics Data System (ADS)

Zhou, Niancheng; Li, Chunyan; Sun, Fangqing; Wang, Qianggang

2017-11-01

Compared with other kinds of fuel cells, solid oxide fuel cell (SOFC) has been widely used in microgrids because of its higher efficiency and longer operation life. The weakness of SOFC lies in its slow response speed when grid disturbance occurs. This paper presents a control strategy that can promote the response speed and limit the fault current impulse for SOFC systems integrated into microgrids. First, the hysteretic control of the bidirectional DC-DC converter, which joins the SOFC and DC bus together, is explored. In addition, an improved droop control with limited current protection is applied in the DC-AC inverter, and the active synchronization control is applied to ensure a smooth transition of the microgrid between the grid-connected mode and the islanded mode. To validate the effectiveness of this control strategy, the control model was built and simulated in PSCAD/EMTDC.

Metastability at the Yield-Stress Transition in Soft Glasses

NASA Astrophysics Data System (ADS)

Lulli, Matteo; Benzi, Roberto; Sbragaglia, Mauro

2018-04-01

We study the solid-to-liquid transition in a two-dimensional fully periodic soft-glassy model with an imposed spatially heterogeneous stress. The model we consider consists of droplets of a dispersed phase jammed together in a continuous phase. When the peak value of the stress gets close to the yield stress of the material, we find that the whole system intermittently tunnels to a metastable "fluidized" state, which relaxes back to a metastable "solid" state by means of an elastic-wave dissipation. This macroscopic scenario is studied through the microscopic displacement field of the droplets, whose time statistics displays a remarkable bimodality. Metastability is rooted in the existence, in a given stress range, of two distinct stable rheological branches, as well as long-range correlations (e.g., large dynamic heterogeneity) developed in the system. Finally, we show that a similar behavior holds for a pressure-driven flow, thus suggesting possible experimental tests.

Mathematical model of organic substrate degradation in solid waste windrow composting.

PubMed

Seng, Bunrith; Kristanti, Risky Ayu; Hadibarata, Tony; Hirayama, Kimiaki; Katayama-Hirayama, Keiko; Kaneko, Hidehiro

2016-01-01

Organic solid waste composting is a complex process that involves many coupled physical, chemical and biological mechanisms. To understand this complexity and to ease in planning, design and management of the composting plant, mathematical model for simulation is usually applied. The aim of this paper is to develop a mathematical model of organic substrate degradation and its performance evaluation in solid waste windrow composting system. The present model is a biomass-dependent model, considering biological growth processes under the limitation of moisture, oxygen and substrate contents, and temperature. The main output of this model is substrate content which was divided into two categories: slowly and rapidly degradable substrates. To validate the model, it was applied to a laboratory scale windrow composting of a mixture of wood chips and dog food. The wastes were filled into a cylindrical reactor of 6 cm diameter and 1 m height. The simulation program was run for 3 weeks with 1 s stepwise. The simulated results were in reasonably good agreement with the experimental results. The MC and temperature of model simulation were found to be matched with those of experiment, but limited for rapidly degradable substrates. Under anaerobic zone, the degradation of rapidly degradable substrate needs to be incorporated into the model to achieve full simulation of a long period static pile composting. This model is a useful tool to estimate the changes of substrate content during composting period, and acts as a basic model for further development of a sophisticated model.

Equilibrium, kinetic, and reactive transport models for plutonium

NASA Astrophysics Data System (ADS)

Schwantes, Jon Michael

Equilibrium, kinetic, and reactive transport models for plutonium (Pu) have been developed to help meet environmental concerns posed by past war-related and present and future peacetime nuclear technologies. A thorough review of the literature identified several hurdles that needed to be overcome in order to develop capable predictive tools for Pu. These hurdles include: (1) missing or ill-defined chemical equilibrium and kinetic constants for environmentally important Pu species; (2) no adequate conceptual model describing the formation of Pu oxy/hydroxide colloids and solids; and (3) an inability of two-phase reactive transport models to adequately simulate Pu behavior in the presence of colloids. A computer program called INVRS K was developed that integrates the geochemical modeling software of PHREEQC with a nonlinear regression routine. This program provides a tool for estimating equilibrium and kinetic constants from experimental data. INVRS K was used to regress on binding constants for Pu sorbing onto various mineral and humic surfaces. These constants enhance the thermodynamic database for Pu and improve the capability of current predictive tools. Time and temperature studies of the Pu intrinsic colloid were also conducted and results of these studies were presented here. Formation constants for the fresh and aged Pu intrinsic colloid were regressed upon using INVRS K. From these results, it was possible to develop a cohesive diagenetic model that describes the formation of Pu oxy/hydroxide colloids and solids. This model provides for the first time a means of deciphering historically unexplained observations with respect to the Pu intrinsic colloid, as well as a basis for simulating the behavior within systems containing these solids. Discussion of the development and application of reactive transport models is also presented and includes: (1) the general application of a 1-D in flow, three-phase (i.e., dissolved, solid, and colloidal), reactive transport model; (2) a simulation of the effects of dissolution of PuO2 solid and radiolysis on the behavior of Pu diffusing out of a confined pore space; and (3) application of a steady-state three phase reactive transport model to groundwater at the Nevada Test Site.

Human Support Technology Research to Enable Exploration

NASA Technical Reports Server (NTRS)

Joshi, Jitendra

2003-01-01

Contents include the following: Advanced life support. System integration, modeling, and analysis. Progressive capabilities. Water processing. Air revitalization systems. Why advanced CO2 removal technology? Solid waste resource recovery systems: lyophilization. ISRU technologies for Mars life support. Atmospheric resources of Mars. N2 consumable/make-up for Mars life. Integrated test beds. Monitoring and controlling the environment. Ground-based commercial technology. Optimizing size vs capability. Water recovery systems. Flight verification topics.

Spacecraft boost and abort guidance and control systems requirement study, boost dynamics and control analysis study. Exhibit A: Boost dynamics and control anlaysis

NASA Technical Reports Server (NTRS)

Williams, F. E.; Price, J. B.; Lemon, R. S.

1972-01-01

The simulation developments for use in dynamics and control analysis during boost from liftoff to orbit insertion are reported. Also included are wind response studies of the NR-GD 161B/B9T delta wing booster/delta wing orbiter configuration, the MSC 036B/280 inch solid rocket motor configuration, the MSC 040A/L0X-propane liquid injection TVC configuration, the MSC 040C/dual solid rocket motor configuration, and the MSC 049/solid rocket motor configuration. All of the latest math models (rigid and flexible body) developed for the MSC/GD Space Shuttle Functional Simulator, are included.

Nanodroplet impact onto solid platinum surface: Spreading and bouncing

NASA Astrophysics Data System (ADS)

Lussier, Daniel; Ventikos, Yiannis

2009-11-01

The impact of droplets onto solid surfaces is found in a huge variety of natural and technological applications, from rain drops splashing on the pavement, to material manufacturing by molten droplet deposition. Taking inspiration from existing microfluidic technologies (i.e. lab-on-chip), there is increasing interest in the use of nanodroplets (D < 100 nm) for a number of applications such as drug delivery and semiconductor device manufacturing. However, as the size of the droplet is reduced into the nanoscale, the direct use of previously obtained macroscopic results is not guaranteed. At the nanoscale, important effects due to the molecular nature of the fluid, thermal fluctuations and reduced dimensionality can play a critical role in determining system dynamics. In this paper we present the results of large-scale, fully atomistic, three-dimensional molecular dynamics (MD) simulation of an argon nanodroplet (D = 18 nm, 54 000 atoms) impact onto a solid platinum surface, using the LAMMPS software package. The fluid argon is modeled using the well-known Lennard-Jones (LJ) potential, while the embedded-atom model (EAM) potential is used for the solid platinum. By varying both the impact velocities (10-1000 m/s) and the wettability of the solid surface a wide range of impact behaviors is observed, from smooth spreading, to bouncing recoil, pointing towards a wide array of potential applications.

Ultramicrowave communications system, phase 3

NASA Technical Reports Server (NTRS)

1981-01-01

The ultramicrowave communications system program investigated the feasibility of a solid state system that meets the projected space to space requirements, while using the advantages of the 100 to 200 GHz band. The program successfully demonstrated a laboratory model of a high frequency communications system operating between 100 to 200 GHz. In the process, vendor claims for performance specifications of discrete components were evaluated, and a window was provided into system design and integration problems.

Space power systems technology

NASA Technical Reports Server (NTRS)

Coulman, George A.

1994-01-01

Reported here is a series of studies which examine several potential catalysts and electrodes for some fuel cell systems, some materials for space applications, and mathematical modeling and performance predictions for some solid oxide fuel cells and electrolyzers. The fuel cell systems have a potential for terrestrial applications in addition to solar energy conversion in space applications. Catalysts and electrodes for phosphoric acid fuel cell systems and for polymer electrolyte membrane (PEM) fuel cell and electrolyzer systems were examined.

Performance evaluation of Space Shuttle SRB parachutes from air drop and scaled model wind tunnel tests. [Solid Rocket Booster recovery system

NASA Technical Reports Server (NTRS)

Moog, R. D.; Bacchus, D. L.; Utreja, L. R.

1979-01-01

The aerodynamic performance characteristics have been determined for the Space Shuttle Solid Rocket Booster drogue, main, and pilot parachutes. The performance evaluation on the 20-degree conical ribbon parachutes is based primarily on air drop tests of full scale prototype parachutes. In addition, parametric wind tunnel tests were performed and used in parachute configuration development and preliminary performance assessments. The wind tunnel test data are compared to the drop test results and both sets of data are used to determine the predicted performance of the Solid Rocket Booster flight parachutes. Data from other drop tests of large ribbon parachutes are also compared with the Solid Rocket Booster parachute performance characteristics. Parameters assessed include full open terminal drag coefficients, reefed drag area, opening characteristics, clustering effects, and forebody interference.