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Articles 6121 - 6150 of 8625
Full-Text Articles in Physical Sciences and Mathematics
Development Of Wide Band Gap Semiconductor Materials For Renewable Energy, S.M. Sarif Masud
Development Of Wide Band Gap Semiconductor Materials For Renewable Energy, S.M. Sarif Masud
Open Access Theses & Dissertations
Several new wide band gap semiconductor nanocomposite photocatalytic materials have been synthesized from HTiNbO5 and HNb3O8 for solar energy conversion. As a source of renewable energy, the materials are being tested to produce hydrogen fuel from water via photolysis. The materials have high surface areas, are macroporous, and have flatband potentials suitable for reducing water to create hydrogen. Under visible or ultra violet light, the materials were found to be very promising as hydrogen evolving photocatalysts. As part of the synthesis of the composites, the catalysts also exhibited excellent catalytic activity under UV light for reducing ionic platinum and gold …
Test Case Automation For Specification Patterns System And Composite Propositions, Cuauhtemoc Munoz
Test Case Automation For Specification Patterns System And Composite Propositions, Cuauhtemoc Munoz
Open Access Theses & Dissertations
Specifying software properties is a common activity in the software development process. Software properties are often written in a natural language such as English. However, the ambiguity in natural languages makes validation and verification time-consuming and error-prone. Specifying software properties in formal languages such as Linear Temporal Logic (LTL) or Computation Tree Logic (CTL) enables the use of formal verification tools such as model checkers. Nevertheless, formal languages require software developers to have a strong background in mathematics and logic.
The specification Patterns System (SPS) and Composite Propositions (CPs) use a higher-level abstraction to specify software properties formally. The SPS …
Study Of Pbdes In Wastewater, Water And Sludge Of El Paso Del Norte Border Region Using Sbse Td/Gc-Ms, Beatriz Adriana Rocha-Gutierrez
Study Of Pbdes In Wastewater, Water And Sludge Of El Paso Del Norte Border Region Using Sbse Td/Gc-Ms, Beatriz Adriana Rocha-Gutierrez
Open Access Theses & Dissertations
Polybrominated diphenyl ethers (PBDEs) are a group of brominated compounds widely used as flame retardants. PBDEs are structurally similar to polychlorinated biphenyls (PCBs), and appear to act similarly in the environment. Due to their persistence and lipophilicity, PBDEs are found to be bioaccumulated and biomagnified in the food chain. Current research in PBDEs is focused on their occurrences, concentration, fate and transport in the environment, and the impact in the ecosystem and human health. Since PBDEs are not regulated in the USA, large amounts of these harmful chemicals are being dumped indiscriminately into the drainage system. As a result, these …
A Deadline-Driven Epidemic Data Collection Protocol Suitable For Tracking Interpersonnel Rendezvous, Avranil Tah
A Deadline-Driven Epidemic Data Collection Protocol Suitable For Tracking Interpersonnel Rendezvous, Avranil Tah
Open Access Theses & Dissertations
This thesis describes a peer-to-peer wireless data collection algorithm that uses epidemic communication to propagate time-sensitive sequentially sampled data records from sensors toward infrastructure connected upload stations via mobile data mules. These records are labeled with sequence numbers and delivery deadlines, and are transmitted in sequential order. Delivery deadlines enable transmission prioritization and trigger alarms warning of violations.
The sequential ordering of records simplifies the protocols transmission-control and garbage collection mechanisms: only two monotonically increasing scalar sequence indices associated with a particular sensor must be exchanged between peers prior to selecting which records need to be communicated. One of these …
The Impact Of Cartel Related Violence On Ongoing Traumatic Stress And Self-Medication In Young Adults Living Along The U.S./México Border, Thom J. Taylor
The Impact Of Cartel Related Violence On Ongoing Traumatic Stress And Self-Medication In Young Adults Living Along The U.S./México Border, Thom J. Taylor
Open Access Theses & Dissertations
Ongoing Potentially Traumatic Stress (OPTS) as a result of violence and insecurity along the U.S./México border remains understudied. Many residents of the border may be both indirectly and directly exposed to potentially traumatic events on an ongoing basis, particularly in the city of Cd. Juárez, México. The present study examined the impact of the violence and insecurity on daily traumatic stress levels and the potential for self-medication via alcohol, cigarettes, and illicit drugs within Spanish speaking young adult residents and commuters to Cd. Juárez, Chihuahua, México. Participants (N = 121) completed multiple online reports of location in and travel to …
Preliminary Archaeological Investigations At The Sierra Diablo Cave Site: Paleoindian And Archaic Occupations In Hudspeth County, Texas, Jose Javier Vasquez
Preliminary Archaeological Investigations At The Sierra Diablo Cave Site: Paleoindian And Archaic Occupations In Hudspeth County, Texas, Jose Javier Vasquez
Open Access Theses & Dissertations
It is generally rare to find archaeological sites in the Southwest that retain the type of contextual integrity that the Sierra Diablo Cave exhibits. Often times, cave sites such as the one currently studied offer excellent preservation of cultural materials due to the general lack of moisture and isolation from wind and water erosion. The research aimed to determine when the site was occupied as well as the types of activities that were occurring during those occupations. It exhibits an extensive stratigraphic sequence that contains a well pronounced Late Archaic Period assemblage (Strata A and B) and a Late Pleistocene/Early …
Using Soil-Borne Polycyclic Aromatic Hydrocarbons (Pahs) And Organic Carbon In Soil For Projecting Pollution States Of Pahs In Ambient Air, Chika Yamaguchi
Using Soil-Borne Polycyclic Aromatic Hydrocarbons (Pahs) And Organic Carbon In Soil For Projecting Pollution States Of Pahs In Ambient Air, Chika Yamaguchi
Open Access Theses & Dissertations
Polycyclic Aromatic Hydrocarbons (PAHs) are of environmental concern due to their ubiquitous nature, long-range transport, long half-lives, and toxicity. PAHs enter the environment as a consequence of incomplete combustion and cause adverse health effects. Because they are omnipresent pollutants, PAH distribution is not only a local issue, but also a global issue. Therefore, monitoring PAHs in ambient air and identifying their sources and distribution patterns have tremendous importance in assessing public health. However, sampling and analyzing airborne PAHs with conventional methods is time consuming and costly. In addition, an active sampling method remains unfeasible in many cases because it requires …
Stochastic Optimization For Learning-Based Super-Resolution: Algorithms And Applications, Jun Zheng
Stochastic Optimization For Learning-Based Super-Resolution: Algorithms And Applications, Jun Zheng
Open Access Theses & Dissertations
Human beings get much of their information visually and depend on perception of images for many critical tasks, such as object identification, medical image analysis, photography, etc. In many visual-based applications, higher resolution images are required for perceiving and receiving critical information. A high resolution image can contribute to a better identification of a suspect's face, or a more accurate localization of a tumor in a mammogram, or a more pleasing view in high definition television, and so on. However, it is hard to obtain the high resolution images needed for some applications, for example, the cost of sensors increases …
Signature Matrices: The Eigenvalue Problem, Valeria Aguirre Holguin
Signature Matrices: The Eigenvalue Problem, Valeria Aguirre Holguin
Open Access Theses & Dissertations
Dealing with matrices can give us a hard time, especially when their dimension is too big, but we also well know how valuable information a matrix may carry, and that is why we study them. When a matrix has a significant number of zeroes we realize how much easier all calculations are. For instance, the product will be simpler to calculate, the determinant, the inverse and even the eigenvalue problem. This thesis provides the description and behavior of a very special kind of matrices which we call signature matrices. A particular feature of these matrices lies in the fact that …
Application Of Copper And Zinc Isotopes To Fingerprint Metal Sources And Identify Attenuation Mechanisms In The Abandoned Waldorf Mine Area, Clear Creek County, Colorado, Suzan Aranda Luna
Application Of Copper And Zinc Isotopes To Fingerprint Metal Sources And Identify Attenuation Mechanisms In The Abandoned Waldorf Mine Area, Clear Creek County, Colorado, Suzan Aranda Luna
Open Access Theses & Dissertations
Acid rock drainage (ARD) is caused by the oxidative weathering of sulfide minerals. Sulfur is oxidized by dissolved oxygen or Fe(III) and sulfate ions, metals, and protons are released into the environment. Hence, the pH of nearby water and soils often decreases in response to ARD while metal concentrations increase. Because a large part of the Rocky Mountains of Colorado are highly mineralized (i.e., the Colorado Mineral Belt), ARD is a serious problem in this region. Moreover, the many abandoned mining areas in the Rocky Mountains that include waste rock piles, tailings impoundments, and surface disturbances add to the problem …
Simulation And Optimization Of Ultra Thin Photovoltaics, Jose Luis Cruz-Campa
Simulation And Optimization Of Ultra Thin Photovoltaics, Jose Luis Cruz-Campa
Open Access Theses & Dissertations
Sandia National Laboratories (SNL) conducts pioneering research and development in Micro-Electro-Mechanical Systems (MEMS) and solar cell research. This dissertation project combines these two areas to create ultra-thin small-form-factor crystalline silicon (c-Si) solar cells. These miniature solar cells create a new class of photovoltaics with potentially novel applications and benefits such as dramatic reductions in cost, weight and material usage.
At the beginning of the project, unusually low efficiencies were obtained in the research group. The intention of this research was thus to investigate the main causes of the low efficiencies through simulation, design, fabrication, and characterization.
Commercial simulation tools were …
The Composition Of Precipitation In El Paso, Texas, Sonny P. Emmert
The Composition Of Precipitation In El Paso, Texas, Sonny P. Emmert
Open Access Theses & Dissertations
The composition of precipitation reflects the transport of particles from varying air mass source regions as well as input from local environmental and anthropogenic activities. Air research in El Paso, TX, U.S.A/Ciudad Juarez, Chihuahua, Mexico has been traditionally limited to studies of local inputs of air pollution; no transition has been made to studying the scavenging, washout, and transport of pollutants by precipitation. The goal of this research project was to identify transported pollutants in precipitation, and determine if there were any health and ecological implications. The research investigated biological, chemical, and geological constituents in precipitation samples collected between September …
Studies Of Earthquakes Stress Drops, Seismic Scattering, And Dynamic Triggering In North America, Christian Rene Escudero Ayala
Studies Of Earthquakes Stress Drops, Seismic Scattering, And Dynamic Triggering In North America, Christian Rene Escudero Ayala
Open Access Theses & Dissertations
I use the Relative Source Time Function (RSTF) method to determine the source properties of earthquakes within southeastern Alaska-northwestern Canada in a first part of the project, and earthquakes within the Denali fault in a second part. I deconvolve a small event P-arrival signal from a larger event by the following method: select arrivals with a tapered cosine window, fast fourier transform to obtain the spectrum, apply water level deconvolution technique, and bandpass filter before inverse transforming the result to obtain the RSTF. I compare the source processes of earthquakes within the area to determine stress drop differences to determine …
Chromium(Iii/Vi) Binding To Magnetite (Fe3o4), Hausmannite (Mn3o4), And Jacobsite (Mnfe2o4) Nanomaterials, Jeffrey Edward Hernandez
Chromium(Iii/Vi) Binding To Magnetite (Fe3o4), Hausmannite (Mn3o4), And Jacobsite (Mnfe2o4) Nanomaterials, Jeffrey Edward Hernandez
Open Access Theses & Dissertations
Chromium is a very versatile metal that is used for many applications in the world. Two of the most common ions of chromium that occur naturally are Cr(III) and Cr(VI). These two oxidation states have very different heath effects in living organisms. Cr(III) is relatively non-toxic to living organisms; however, Cr(VI) is very toxic to most living organisms This study was conducted to find a simple and cost effective method to sequester these two common ionic species of chromium from sources of water that are adjacent to or that are affected by other water sources contaminated by these two ions. …
Spectroscopic Analysis Of Tungsten Oxide Thin Films For Sensor Applications, Jose Luis Enriquez Carrejo
Spectroscopic Analysis Of Tungsten Oxide Thin Films For Sensor Applications, Jose Luis Enriquez Carrejo
Open Access Theses & Dissertations
The objective of this study is targeted toward improving the quality of pure tungsten oxide (WO3) for application to the detection of poisoning gases, especially of H2S. While pure WO3 is a recognized candidate for gas sensing, its characteristics are strongly dependent on the conditions and methods used in its deposition.
Samples of WO3 thin films analyzed in this work were grown on silicon and sapphire substrates using RF magnetron sputtering at a number of different substrate temperatures and Ar:O2 pressure ratios. The properties of the samples were investigated spectroscopically with the goal of determining how variations in the above …
Assessing Annual And Seasonal Spatial Variability Of Ambient Pm10 Using Linear Regression Analysis In A United States-Mexico Urban Sprawl, Mario Ivan Garcia
Assessing Annual And Seasonal Spatial Variability Of Ambient Pm10 Using Linear Regression Analysis In A United States-Mexico Urban Sprawl, Mario Ivan Garcia
Open Access Theses & Dissertations
As air quality issues grow progressively in the consciousness of the global community, stakeholders are pressing for epidemiologic studies of air pollution. The effects of chronic exposure to ambient air pollution remain a difficult challenge due to its substantial small-scale spatial variation. Recent approaches to assess intra-urban exposure have employed the use of proximity-based assessment, interpolation methods, emission-meteorological models, dispersions models, and land-use regression (LUR) models.
This thesis assesses the spatial variability of ambient particulate matter (PM10) obtained by five self-governing models for the area of El Paso. Using multiple linear regression analysis five regression-based equations were developed to predict …
Structural And Electronic Properties Of Aluminum Nano Clusters By Dft, Mrudula Raparla
Structural And Electronic Properties Of Aluminum Nano Clusters By Dft, Mrudula Raparla
Open Access Theses & Dissertations
The electronic properties of Al clusters containing up to 60 atoms are investigated using an all electron density functional theory using large polarized Gaussian basis sets with 39 Gaussians per atom (NRLMOL basis). We have performed an extensive search for the lowest energy isomers for clusters up to Al 21. We build a database of candidate structures for the ground state using different strategies. First, a few structures are randomly generated and fully relaxed using plane wave pseudo potential method. We also performed simulated annealing runs using ab initio molecular dynamics for clusters up to Al20. In three sets of …
Spectroscopic Study Of The Inhibition Of Calcium Oxalate Calculi By Larrea Tridentata, Luis Alonso Pinales
Spectroscopic Study Of The Inhibition Of Calcium Oxalate Calculi By Larrea Tridentata, Luis Alonso Pinales
Open Access Theses & Dissertations
The causes of urolithiasis include such influences as diet, metabolic disorders, and genetic factors which have been documented as sources that aggravate urinary calculi depositions and aggregations, and, implicitly, as causes of urolithiasis. This study endeavors to detail the scientific mechanisms involved in calcium oxalate calculi formation, and, more importantly, their inhibition under growth conditions imposed by the traditional medicinal approach using the herbal extract, Larrea tridentata. The calculi were synthesized without and with Larrea tridentata infusion by employing the single diffusion gel technique. A visible decrease in calcium oxalate crystal growth with increasing amounts of Larrea tridentata herbal infusion …
Super-Resolution Using Adaptive Wiener Filters, Russell C. Hardie
Super-Resolution Using Adaptive Wiener Filters, Russell C. Hardie
Electrical and Computer Engineering Faculty Publications
The spatial sampling rate of an imaging system is determined by the spacing of the detectors in the focal plane array (FPA). The spatial frequencies present in the image on the focal plane are band-limited by the optics. This is due to diffraction through a finite aperture. To guarantee that there will be no aliasing during image acquisiton, the Nyquist criterion dictates that the sampling rate must be greater than twice the cut-off frequency of the optics. However, optical designs involve a number of trade-offs and typical imaging systems are designed with some level of aliasing. We will refer to …
Characterization Of Atmospheric Turbulence Effects Over 149 Km Propagation Path Using Multi-Wavelength Laser Beacons, Mikhail Vorontsov, Gary W. Carhart, Venkata S. Rao Gudimetla, Thomas Weyrauch, Eric Stevenson, Svetlana Lachinova, Leonid A. Beresnev, Jony Jiang Liu, Karl Rehder, Jim F. Riker
Characterization Of Atmospheric Turbulence Effects Over 149 Km Propagation Path Using Multi-Wavelength Laser Beacons, Mikhail Vorontsov, Gary W. Carhart, Venkata S. Rao Gudimetla, Thomas Weyrauch, Eric Stevenson, Svetlana Lachinova, Leonid A. Beresnev, Jony Jiang Liu, Karl Rehder, Jim F. Riker
Electrical and Computer Engineering Faculty Publications
We describe preliminary results of a set of laser beam propagation experiments performed over a long (149 km) near-horizontal propagation path between Mauna Loa (Hawaii Island) and Haleakala (Island of Maui) mountains in February 2010. The distinctive feature of the experimental campaign referred to here as the Coherent Multi-Beam Atmospheric Transceiver (COMBAT) experiments is that the measurements of the atmospheric-turbulence induced laser beam intensity scintillations at the receiver telescope aperture were obtained simultaneously using three laser sources (laser beacons) with different wavelengths (λ1 = 0.53 μm, λ2 = 1.06 μm, and λ3 = 1.55 μm). The presented experimental results on …
Plasma Treatment Of Bulk Niobium Surface For Superconducting Rf Cavities: Optimization Of The Experimental Conditions On Flat Samples, M. Rašković, J. Upadhyay, L. Vuskovic, S. Popovic, A.-M. Valente-Feliciano, L. Phillips
Plasma Treatment Of Bulk Niobium Surface For Superconducting Rf Cavities: Optimization Of The Experimental Conditions On Flat Samples, M. Rašković, J. Upadhyay, L. Vuskovic, S. Popovic, A.-M. Valente-Feliciano, L. Phillips
Physics Faculty Publications
Accelerator performance, in particular the average accelerating field and the cavity quality factor, depends on the physical and chemical characteristics of the superconducting radio-frequency (SRF) cavity surface. Plasma based surface modification provides an excellent opportunity to eliminate nonsuperconductive pollutants in the penetration depth region and to remove the mechanically damaged surface layer, which improves the surface roughness. Here we show that the plasma treatment of bulk niobium (Nb) presents an alternative surface preparation method to the commonly used buffered chemical polishing and electropolishing methods. We have optimized the experimental conditions in the microwave glow discharge system and their influence on …
Brightest Cluster Galaxies And Core Gas Density In Rexcess Clusters, Deborah B. Haarsma, Luke Leisman, Megan Donahue, Seth Bruch
Brightest Cluster Galaxies And Core Gas Density In Rexcess Clusters, Deborah B. Haarsma, Luke Leisman, Megan Donahue, Seth Bruch
University Faculty Publications and Creative Works
We investigate the relationship between brightest cluster galaxies (BCGs) and their host clusters using a sample of nearby galaxy clusters from the Representative XMM-Newton Cluster Structure Survey. The sample was imaged with the Southern Observatory for Astrophysical Research in R band to investigate the mass of the old stellar population. Using a metric radius of 12 h -1kpc, we found that the BCG luminosity depends weakly on overall cluster mass as L BCG M 0.180.07cl, consistent with previous work. We found that 90% of the BCGs are located within 0.035 r 500 of the peak of the X-ray emission, including …
Design Sensitivities Of The Superconducting Parallel-Bar Cavity, Subashini U. De Silva, Jean Delayen
Design Sensitivities Of The Superconducting Parallel-Bar Cavity, Subashini U. De Silva, Jean Delayen
Physics Faculty Publications
The superconducting parallel-bar cavity has properties that makes it attractive as a deflecting or crabbing rf structure. For example it is under consideration as an rf separator for the Jefferson Lab 12 GeV upgrade and as a crabbing structure for a possible LHC luminosity upgrade. In order to maintain the purity of the deflecting mode and avoid mixing with the near accelerating mode caused by geometrical imperfection, a minimum frequency separation is needed which depends on the expected deviations from perfect symmetry. We have done an extensive analysis of the impact of several geometrical imperfections on the properties of the …
Inexpensive Time-Lapse Digital Cameras For Studying Transient Meteorological Phenomena: Dust Devils And Playa Flooding, Ralph D. Lorenz, Brian Jackson, Jason W. Barnes
Inexpensive Time-Lapse Digital Cameras For Studying Transient Meteorological Phenomena: Dust Devils And Playa Flooding, Ralph D. Lorenz, Brian Jackson, Jason W. Barnes
Brian Jackson
The authors describe the design and performance of inexpensive and compact time-lapse cameras suitable for field deployment in remote locations for long periods and their application to studying two time-variable meteorological phenomena in arid regions: desert dust devils and transient flooding of playa lakes. The camera units (with a total parts cost of ∼$80) are based around commercial “point and shoot” digital cameras, storing ∼1500 images on a solid-state memory card over a period between an hour to several months powered by alkaline batteries. A microcontroller can trigger image acquisition based on sensor inputs or at regular intervals. Some example …
The Local Structure Of Transition Metal Doped Semiconducting Boron Carbides, Jing Liu, Guangfu Luo, Wai-Ning Mei, Orhan Kizilkaya, Eric D. Shepherd, J. I. Brand, Peter A. Dowben
The Local Structure Of Transition Metal Doped Semiconducting Boron Carbides, Jing Liu, Guangfu Luo, Wai-Ning Mei, Orhan Kizilkaya, Eric D. Shepherd, J. I. Brand, Peter A. Dowben
Physics Faculty Publications
Transition metal doped boron carbides produced by plasma enhanced chemical vapour deposition of orthocarborane (closo-1,2-C2B10H12) and 3d metal metallocenes were investigated by performing K-edge extended x-ray absorption fine structure and x-ray absorption near edge structure measurements. The 3d transition metal atom occupies one of the icosahedral boron or carbon atomic sites within the icosahedral cage. Good agreement was obtained between experiment and models for Mn, Fe and Co doping, based on the model structures of two adjoined vertex sharing carborane cages, each containing a transition metal. The local spin configurations of all …
Deflagration With Quantum And Dipolar Effects In A Model Of A Molecular Magnet, Dmitry A. Garanin
Deflagration With Quantum And Dipolar Effects In A Model Of A Molecular Magnet, Dmitry A. Garanin
Publications and Research
Combination of the thermal effet in magnetic deflagration with resonance spin tunneling controlled by the dipole-dipole interaction in molecular magnets leads to the increase of the deflagration speed in the dipolar window near tunneling resonances.
A Multivalent Dna Aptamer Specific For The B-Cell Receptor On Human Lymphoma And Leukemia, Prabodhika R. Mallikaratchy, Alessandro Ruggiero, Jeffrey R. Gardner, Vitaly Kuryavyi, William F. Maguire, Mark L. Heaney, Michael R. Mcdevitt, Dinshaw J. Patel, David A. Scheinberg
A Multivalent Dna Aptamer Specific For The B-Cell Receptor On Human Lymphoma And Leukemia, Prabodhika R. Mallikaratchy, Alessandro Ruggiero, Jeffrey R. Gardner, Vitaly Kuryavyi, William F. Maguire, Mark L. Heaney, Michael R. Mcdevitt, Dinshaw J. Patel, David A. Scheinberg
Publications and Research
Long-term survival still eludes most patients with leukemia and non-Hodgkin’s lymphoma. No approved therapies target the hallmark of the B cell, its mIgM, also known as the B-cell receptor (BCR). Aptamers are small oligonucleotides that can specifically bind to a wide range of target molecules and offer some advantages over antibodies as therapeutic agents. Here, we report the rational engineering of aptamer TD05 into multimeric forms reactive with the BCR that may be useful in biomedical applications. Systematic truncation of TD05 coupled with modification with locked nucleic acids (LNA) increased conformational stability and nuclease resistance. Trimeric and tetrameric versions with …
The Globular Cluster System Of Ngc 1399. V. Dynamics Of The Cluster System Out To 80 Kpc, Y. Schuberth, T. Richtler, M. Hilker, B. Dirsch, L. Bassino, Aaron J. Romanowsky, L. Infante
The Globular Cluster System Of Ngc 1399. V. Dynamics Of The Cluster System Out To 80 Kpc, Y. Schuberth, T. Richtler, M. Hilker, B. Dirsch, L. Bassino, Aaron J. Romanowsky, L. Infante
Aaron J. Romanowsky
Globular clusters (GCs) are tracers of the gravitational potential of their host galaxies. Moreover, their kinematic properties may provide clues for understanding the formation of GC systems and their host galaxies. We use the largest set of GC velocities obtained so far of any elliptical galaxy to revise and extend the previous investigations (Richtler et al. 2004) of the dynamics of NGC 1399, the central dominant galaxy of the nearby Fornax cluster of galaxies. The GC velocities are used to study the kinematics, their relation with population properties, and the dark matter halo of NGC 1399. We have obtained 477 …
Computational Fluctuating Fluid Dynamics, Alejandro Garcia, John B. Bell, Sarah Williams
Computational Fluctuating Fluid Dynamics, Alejandro Garcia, John B. Bell, Sarah Williams
Alejandro Garcia
This paper describes the extension of a recently developed numerical solver for the Landau-Lifshitz Navier-Stokes (LLNS) equations to binary mixtures in three dimensions. The LLNS equations incorporate thermal fluctuations into macroscopic hydrodynamics by using white-noise fluxes. These stochastic PDEs are more complicated in three dimensions due to the tensorial form of the correlations for the stochastic fluxes and in mixtures due to couplings of energy and concentration fluxes (e.g., Soret effect). We present various numerical tests of systems in and out of equilibrium, including time-dependent systems, and demonstrate good agreement with theoretical results and molecular simulation
On The Accuracy Of Explicit Finite-Volume Schemes For Fluctuating Hydrodynamics, Aleksandar Donev, Eric Vanden-Eijnden, Alejandro Garcia, John B. Bell
On The Accuracy Of Explicit Finite-Volume Schemes For Fluctuating Hydrodynamics, Aleksandar Donev, Eric Vanden-Eijnden, Alejandro Garcia, John B. Bell
Alejandro Garcia
This paper describes the development and analysis of finite-volume methods for the Landau–Lifshitz Navier–Stokes (LLNS) equations and related stochastic partial differential equations in fluid dynamics. The LLNS equations incorporate thermal fluctuations into macroscopic hydrodynamics by the addition of white noise fluxes whose magnitudes are set by a fluctuation-dissipation relation. Originally derived for equilibrium fluctuations, the LLNS equations have also been shown to be accurate for nonequilibrium systems. Previous studies of numerical methods for the LLNS equations focused primarily on measuring variances and correlations computed at equilibrium and for selected nonequilibrium flows. In this paper, we introduce a more systematic approach …