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Analysis And Utilization Of Hip-Hop Techniques In Classical Music, William Francis Montgomery May 2019

Analysis And Utilization Of Hip-Hop Techniques In Classical Music, William Francis Montgomery

LSU Doctoral Dissertations

ABSTRACT

As of January 4th, 2018, R&B/Hip-Hop (including rap) had overtaken rock and roll as the most popular genre among music fans. Nielsen Music reported that rap had surpassed rock in terms of total consumption with rappers such as Drake and Kendrick Lamar leading the charge. This would lead to the second-highest growth of any genre of music, spiking at 25% over the previous year.[1] This came as a very big surprise to many, especially when we take into consideration the rocky at best relationship that rap has had with public perception.

There are many misconceptions and …


Determination Of Scatter Fractions, Albedos, And Tenth Value Layers For Shielding Of Synchrotron Beamline Hutches, Bethany Lynn Broekhoven May 2019

Determination Of Scatter Fractions, Albedos, And Tenth Value Layers For Shielding Of Synchrotron Beamline Hutches, Bethany Lynn Broekhoven

LSU Master's Theses

Synchrotron facilities require substantial amounts of shielding to protect facility staff and researchers. To meet mandatory exposure limits, the traditional combination of time, distance, and shielding of the radiation source are utilized. Because of continuous 24-7 operation of most synchrotrons, time is the least useful tool. The experimental stations for synchrotron x-ray beamlines, called hutches, enforce a minimum distance from the source, but shielding provided by hutch walls is still the principal tool for a synchrotron facility. Currently there is no single resource for synchrotron beamline hutch shielding design in the literature; most hutch shielding is designed through either over-simplified …


Chemical Approaches For Nanofabrication Based On Colloidal Lithography With Organosilanes, Nanoparticles And Nickel Films: The Role Of Water In Directing Surface Self-Assembly, Neepa Malsi Kumari Kuruppu Arachchige May 2019

Chemical Approaches For Nanofabrication Based On Colloidal Lithography With Organosilanes, Nanoparticles And Nickel Films: The Role Of Water In Directing Surface Self-Assembly, Neepa Malsi Kumari Kuruppu Arachchige

LSU Doctoral Dissertations

The capabilities for accomplishing fundamental surface studies with molecular systems are demonstrated in this dissertation using measurement and imaging modes of scanning probe microscopy. Model systems were chosen for investigations of surface self-assembly mechanisms, with an emphasis on understanding the role of interfacial water in surface reactivity. A key strategy for molecular level studies was to prepare nanostructures using protocols with colloidal lithography and scanning probe-based lithography (SPL). Nanofabricated samples were characterized ex situ with contact and tapping-mode atomic force microscopy (AFM) after key reaction steps, providing direct views of changes in surface morphology at the nanoscale. Magnetic sample modulation …


Designing And Composing For Interdependent Collaborative Performance With Physics-Based Virtual Instruments, Eric Sheffield May 2019

Designing And Composing For Interdependent Collaborative Performance With Physics-Based Virtual Instruments, Eric Sheffield

LSU Doctoral Dissertations

Interdependent collaboration is a system of live musical performance in which performers can directly manipulate each other’s musical outcomes. While most collaborative musical systems implement electronic communication channels between players that allow for parameter mappings, remote transmissions of actions and intentions, or exchanges of musical fragments, they interrupt the energy continuum between gesture and sound, breaking our cognitive representation of gesture to sound dynamics.

Physics-based virtual instruments allow for acoustically and physically plausible behaviors that are related to (and can be extended beyond) our experience of the physical world. They inherently maintain and respect a representation of the gesture to …


Mobile Music Development Tools For Creative Coders, Daniel Stuart Holmes May 2019

Mobile Music Development Tools For Creative Coders, Daniel Stuart Holmes

LSU Doctoral Dissertations

This project is a body of work that facilitates the creation of musical mobile artworks. The project includes a code toolkit that enhances and simplifies the development of mobile music iOS applications, a flexible notation system designed for mobile musical interactions, and example apps and scored compositions to demonstrate the toolkit and notation system.

The code library is designed to simplify the technical aspect of user-centered design and development with a more direct connection between concept and deliverable. This sim- plification addresses learning problems (such as motivation, self-efficacy, and self-perceived understanding) by bridging the gap between idea and functional prototype …


A New Magnetic Topological Quantum Material Candidate By Design, Weiwei Xie, Xin Gui May 2019

A New Magnetic Topological Quantum Material Candidate By Design, Weiwei Xie, Xin Gui

Faculty Publications

Magnetism, when combined with an unconventional electronic band structure, can give rise to forefront electronic properties such as the quantum anomalous Hall effect, axion electrodynamics, and Majorana fermions. Here we report the characterization of high-quality crystals of EuSn2P2, a new quantum material specifically designed to engender unconventional electronic states plus magnetism. EuSn2P2 has a layered, Bi2Te3-type structure. Ferromagnetic interactions dominate the Curie-Weiss susceptibility, but a transition to antiferromagnetic ordering occurs near 30 K. Neutron diffraction reveals that this is due to two-dimensional ferromagnetic spin alignment within individual Eu layers and antiferromagnetic alignment between layers-this magnetic state surrounds the Sn-P layers …


Nonlinear Optical Studies Of Bulk And Thin Film Complex Materials, Joel E. Taylor May 2019

Nonlinear Optical Studies Of Bulk And Thin Film Complex Materials, Joel E. Taylor

LSU Doctoral Dissertations

Nonlinear optical studies of bulk and thin film materials provide a vast playground for physical and dynamical characterization. In this thesis, we have implemented experimental methods to probe novel phase transitions in single crystals using rotational anisotropic second harmonic generation (RASHG) and carrier dynamics in thin films with time-resolved pump-probe reflectivity. Furthermore, a novel low temperature ultra-high vacuum system coupled to nonlinear optics has been developed to extend lab capabilities. Doping (Bi1-xSbx)2Se3 with antimony, the surface electronic reconstruction near x=80% was identified with RASHG by deviations in the six-fold and three-fold polarization anisotropic …


Geometric Problems In Robot Exploration, Wyatt Preston Clements May 2019

Geometric Problems In Robot Exploration, Wyatt Preston Clements

LSU Doctoral Dissertations

Robots are increasingly utilized to perform tasks in today's world. This has varied from vacuuming to building advanced structures. With robots being used for tasks such as these, new challenges are introduced. Problems that have been previously researched to be performed, either theoretically or implemented, need to be redesigned to be able to better handle these challenges. In this thesis, I will discuss multiple problems that have previously been researched and I have redesigned to be possible to be implemented by robots or that I have developed a new way for the robots to solve the problem. I focus on …


A Case-Study Approach To Investigate Transmission, Co-Infection, And Clinical Sequelae During Epidemics Of Dengue And Ebola Virus Disease, Jennifer Elizabeth Giovanni May 2019

A Case-Study Approach To Investigate Transmission, Co-Infection, And Clinical Sequelae During Epidemics Of Dengue And Ebola Virus Disease, Jennifer Elizabeth Giovanni

LSU Doctoral Dissertations

From within their ecologic niches, zoonotic viruses emerge from animal reservoirs into the edges and centers of human habitation to exploit opportunities for unabated transmission within immunologically–naïve populations. Our understanding of where, in whom, and how these viruses emerge is under direct challenge, driving the evolution of modern infectious disease epidemiology within a rapidly-connected global community. The studies presented herein are based on analyses of both aggregate and case-level data, which, we argue, provide unique insight into the complexities of transmission, co-infection, and clinical sequelae occurring within, and arising from, epidemics of emerging zoonotic viruses. In Chapter II, we investigate …


Numerical Modeling Of Wave Dynamics And Sediment Transport Near The Mississippi Birdfoot Delta And Barataria Estuary, Soroush Sorourian May 2019

Numerical Modeling Of Wave Dynamics And Sediment Transport Near The Mississippi Birdfoot Delta And Barataria Estuary, Soroush Sorourian

LSU Doctoral Dissertations

The Barataria Basin is a large estuarine system in Southeastern Louisiana, connected to the Gulf of Mexico through a number of inlets, the most important of which is the Barataria Pass. This research examines, during April-June 2010 including both cold front passage and calm summer-time wind regimes, the wave dynamics in this basin and in its major inlets, morphological evolution near the Barataria Pass, and the budgeting and dispersal of the Mississippi River sediment in the birdfoot delta region. An unstructured grid, terrain following, high resolution coupled FVCOM-SWAVE-SED model is employed and validated in this study. The numerical model results …


Photo-Physical Properties Of Novel Gumbos For Optoelectronic Applications, Thenahandi Prasanthi Deepthika De Silva May 2019

Photo-Physical Properties Of Novel Gumbos For Optoelectronic Applications, Thenahandi Prasanthi Deepthika De Silva

LSU Doctoral Dissertations

Organic Light Emitting Diodes (OLEDs) are predicted to revolutionize next generation consumer electronics by offering many advantageous device characteristics, including low power consumption, low heat dissipation, a tunable and wider color gamut, high resolution and contrast, light weight, flexibility, and semi-transparency. However, a major limiting factor for OLEDs to reach their full potential is that only a few known blue OLED emitters with substantial spectral purity and longevity are available to date. Therefore, focus of this research is on understanding and addressing limitations of OLED emitters, with an emphasis on improving the characteristics of blue emitters.

The work presented in …


Floodwater Impact On Galveston Bay Phytoplankton Taxonomy, Pigment Composition And Photo-Physiological State Following Hurricane Harvey From Field And Ocean Color (Sentinel-3a Olci) Observations, Eurico D'Sa May 2019

Floodwater Impact On Galveston Bay Phytoplankton Taxonomy, Pigment Composition And Photo-Physiological State Following Hurricane Harvey From Field And Ocean Color (Sentinel-3a Olci) Observations, Eurico D'Sa

Faculty Publications

Phytoplankton taxonomy, pigment composition and photo-physiological state were studied in Galveston Bay (GB), Texas (USA), following the extreme flooding associated with Hurricane Harvey (25-29 August 2017) using field and satellite ocean color observations. The percentage of chlorophyll a (Chl a) in different phytoplankton groups was determined from a semi-analytical IOP (inherent optical property) inversion algorithm. The IOP inversion algorithm revealed the dominance of freshwater species (diatom, cyanobacteria and green algae) in the bay following the hurricane passage (29 September 2017) under low salinity conditions associated with the discharge of floodwaters into GB. Two months after the hurricane (29-30 October 2017), …


An Introduction To Hpxmp – A Modern Openmp Implementation Leveraging Hpx, An Asynchronous Many-Task System, Tianyi Zhang, R. Tohid, Shahrzad Shirzad, Weile Wei, Patrick Diehl, Hartmut Kaiser May 2019

An Introduction To Hpxmp – A Modern Openmp Implementation Leveraging Hpx, An Asynchronous Many-Task System, Tianyi Zhang, R. Tohid, Shahrzad Shirzad, Weile Wei, Patrick Diehl, Hartmut Kaiser

Faculty Publications

Asynchronous Many-task (AMT) runtime systems have gained increasing acceptance in the HPC community due to the performance improvements offered by fine-grained tasking runtime systems. At the same time, C++ standardization efforts are focused on creating higher-level interfaces able to replace OpenMP or OpenACC in modern C++ codes. These higher level functions have been adopted in standards conforming runtime systems such as HPX, giving users the ability to simply utilize fork-join parallelism in their own codes. Despite innovations in runtime systems and standardization efforts users face enormous challenges porting legacy applications. Not only must users port their own codes, but often …


An Examination Of The Technical Adequacy, Classification Accuracy, And Usability Of The Ssis Sel Screening/Process Monitoring Scales In Elementary School Populations, Shelby Mccoy Byrd . May 2019

An Examination Of The Technical Adequacy, Classification Accuracy, And Usability Of The Ssis Sel Screening/Process Monitoring Scales In Elementary School Populations, Shelby Mccoy Byrd .

LSU Doctoral Dissertations

Social emotional skills and competencies are integral to student success at home, school, and in the larger community. Extant research also consistently demonstrates that social emotional skill deficits are associated with various adverse outcomes. Universal screening for social emotional and behavioral risk in schools facilitates early identification and targeted intervention, with the primary goal to mitigate and reduce these potential adverse outcomes for students. Research on the technical adequacy and classification accuracy of universal screening is essential to this process to ensure efficient and accurate identification, as well as subsequent implementation of social emotional interventions targeting deficits in skills.The purpose …


Optimal And Efficient Decision-Making For Power System Expansion Planning, Mahdi Mehrtash May 2019

Optimal And Efficient Decision-Making For Power System Expansion Planning, Mahdi Mehrtash

LSU Doctoral Dissertations

A typical power system consists of three major sectors: generation, transmission, and distribution. Due to ever increasing electricity consumption and aging of the existing components, generation, transmission, and distribution systems and equipment must be analyzed frequently and if needed be replaced and/or expanded timely. By definition, the process of power system expansion planning aims to decide on new as well as upgrading existing system components in order to adequately satisfy the load for a foreseen future.

In this dissertation, multiple economically optimal and computationally efficient methods are proposed for expanding power generation, transmission, and distribution systems. First, a computationally efficient …


Application Of X-Ray Grating Interferometry To Polymer/Flame Retardant Blends In Additive Manufacturing, Omoefe Joy Kio May 2019

Application Of X-Ray Grating Interferometry To Polymer/Flame Retardant Blends In Additive Manufacturing, Omoefe Joy Kio

LSU Doctoral Dissertations

X-ray grating interferometry is a nondestructive tool for visualizing the internal structures of samples. Image contrast can be generated from the absorption of X-rays, the change in phase of the beam and small-angle X-ray scattering (dark-field). The attenuation and differential phase data obtained complement each other to give the internal composition of a material and large-scale structural information. The dark-field signal reveals sub-pixel structural detail usually invisible to the attenuation and phase probe, with the potential to highlight size distribution detail in a fashion faster than conventional small-angle scattering techniques. This work applies X-ray grating interferometry to the study of …


A Model-Based Framework For The Smart Manufacturing Of Polymers, Santiago D. Salas Ortiz May 2019

A Model-Based Framework For The Smart Manufacturing Of Polymers, Santiago D. Salas Ortiz

LSU Doctoral Dissertations

It is hard to point a daily activity in which polymeric materials or plastics are not involved. The synthesis of polymers occurs by reacting small molecules together to form, under certain conditions, long molecules. In polymer synthesis, it is mandatory to assure uniformity between batches, high-quality of end-products, efficiency, minimum environmental impact, and safety. It remains as a major challenge the establishment of operational conditions capable of achieving all objectives together. In this dissertation, different model-centric strategies are combined, assessed, and tested for two polymerization systems.

The first system is the synthesis of polyacrylamide in aqueous solution using potassium persulfate …


Direct Measurement Of The Cosmic-Ray Proton Spectrum From 50 Gev To 10 Tev With The Calorimetric Electron Telescope On The International Space Station, O. Adriani, Y. Akaike, K. Asano, Y. Asaoka, M. G. Bagliesi, E. Berti, G. Bigongiari, W. R. Binns, S. Bonechi, M. Bongi, P. Brogi, A. Bruno, J. H. Buckley, N. Cannady, G. Castellini, C. Checchia, M. L. Cherry, G. Collazuol, V. Di Felice, K. Ebisawa, H. Fuke, T. G. Guzik, T. Hams, N. Hasebe, K. Hibino, M. Ichimura, K. Ioka, W. Ishizaki, M. H. Israel, K. Kasahara, J. Kataoka, R. Kataoka, Y. Katayose May 2019

Direct Measurement Of The Cosmic-Ray Proton Spectrum From 50 Gev To 10 Tev With The Calorimetric Electron Telescope On The International Space Station, O. Adriani, Y. Akaike, K. Asano, Y. Asaoka, M. G. Bagliesi, E. Berti, G. Bigongiari, W. R. Binns, S. Bonechi, M. Bongi, P. Brogi, A. Bruno, J. H. Buckley, N. Cannady, G. Castellini, C. Checchia, M. L. Cherry, G. Collazuol, V. Di Felice, K. Ebisawa, H. Fuke, T. G. Guzik, T. Hams, N. Hasebe, K. Hibino, M. Ichimura, K. Ioka, W. Ishizaki, M. H. Israel, K. Kasahara, J. Kataoka, R. Kataoka, Y. Katayose

Faculty Publications

In this paper, we present the analysis and results of a direct measurement of the cosmic-ray proton spectrum with the CALET instrument onboard the International Space Station, including the detailed assessment of systematic uncertainties. The observation period used in this analysis is from October 13, 2015 to August 31, 2018 (1054 days). We have achieved the very wide energy range necessary to carry out measurements of the spectrum from 50 GeV to 10 TeV covering, for the first time in space, with a single instrument the whole energy interval previously investigated in most cases in separate subranges by magnetic spectrometers …


Morphological And Physiological Characteristics Of Endornavirus-Infected And Endornavirus-Free Near-Isogenic Lines Of Bell Pepper (Capsicum Annuum), C. Escalante, R. A. Valverde May 2019

Morphological And Physiological Characteristics Of Endornavirus-Infected And Endornavirus-Free Near-Isogenic Lines Of Bell Pepper (Capsicum Annuum), C. Escalante, R. A. Valverde

Faculty Publications

Plant endornaviruses are persistent viruses that infect plants without causing symptoms. Although endornaviruses have been reported in many economically important plant species, little is known about the effect they have on their hosts. Bell pepper endornavirus (BPEV) has been reported in cultivated peppers (Capsicum spp.). In commercial cultivars of bell pepper (C. annuum) grown in the United States, this virus is found at prevalence rates of 100%. Two bell pepper near-isogenic lines (NILs), one BPEV-infected and the other BPEV-free, were generated and used to investigate the type of symbiotic relationship between BPEV and bell pepper. Selected morphological and physiological characteristics …


Molecularly Heterogeneous Structure Of A Nonionic Deep Eutectic Solvent Composed Of N-Methylacetamide And Lauric Acid, Yaowen Cui, Jeramie C. Rushing, Soenke Seifert, Nicholas M. Bedford, Daniel G. Kuroda May 2019

Molecularly Heterogeneous Structure Of A Nonionic Deep Eutectic Solvent Composed Of N-Methylacetamide And Lauric Acid, Yaowen Cui, Jeramie C. Rushing, Soenke Seifert, Nicholas M. Bedford, Daniel G. Kuroda

Faculty Publications

© 2019 American Chemical Society. Deep eutectic solvents (DES) are a new class of designer solvents with a wide range of possible applications. DESs are typically made from an ionic compound and a hydrogen bond donor, but lately DESs made of nonionic compounds with interesting properties have started to appear. This study focuses on describing the structure, dynamics, and interactions of a nonionic DES composed of N-methylacetamide (NMA) and lauric acid (LA). Linear IR and time-resolved IR experiments show that LA-NMA DES is the result of hydrogen bond interaction between the two molecular components, though the interaction energy is only …


Process Dimensions Of Intervention Implementation: Evaluating The Quality Of Professional Development Delivered To Teachers, Sarah Petters Fletcher May 2019

Process Dimensions Of Intervention Implementation: Evaluating The Quality Of Professional Development Delivered To Teachers, Sarah Petters Fletcher

LSU Doctoral Dissertations

It is well-established that having a high-quality teacher can lead to long-lasting, significant effects on students’ achievement. We know that teacher effectiveness reliably has an impact on student outcomes, but what impacts teacher effectiveness? One regularly recommended and prominent method for improving teacher effectiveness is through coaching. However, to date, the active components of coaching interventions have yet to be adequately specified, measured and investigated. The primary aim of the proposed study is to address this gap in the teacher coaching literature by examining which aspects of a coaching intervention, Making the Most of Classroom Interactions (MMCI), may lead to …


Microscopic View On Structure And Dynamics In Polymer Nanocomposites, Stefan Otto Huber May 2019

Microscopic View On Structure And Dynamics In Polymer Nanocomposites, Stefan Otto Huber

LSU Doctoral Dissertations

The focus of this thesis is on the single chain conformation and dynamics in polymer melts, nanocomposite melts and networks. The exploration of structure, morphology and dynamics has shown to be crucial to understand the basic science in such systems, like the influence of entropy, confinement, and monomeric friction. These parameters can be translated into the macroscopic behavior of the materials. The scientific work on model nanocomposite systems contributes to accelerate the development of materials, and also to invent to date unknown materials with uprecedented properties, needed for car tires, low weight but ultra strong materials or batteries. This thesis …


Analytical And Numerical Modeling Of Cavity Expansion In Anisotropic Poroelastoplastic Soil, Kai Liu May 2019

Analytical And Numerical Modeling Of Cavity Expansion In Anisotropic Poroelastoplastic Soil, Kai Liu

LSU Doctoral Dissertations

Cavity expansion/contraction problems have attracted intensive attentions over the past several decades due to its versatile applications, such as the interpretation of pressuremeter/piezocone penetration testing results and the modelling of pile installation/tunnel excavation in civil engineering, and the prediction of critical mud pressure required to maintain the wellbore stability in petroleum engineering. Despite the fact that various types of constitutive models have been covered in the literature on this subject, the soils and/or rocks were usually treated as isotropic geomaterials.

In recognition of the above fact, this research makes a substantial extension of the fundamental cavity expansion theory by considering …


Framework For Algorithmically Optimizing Longitudinal Health Outcomes: Examples In Cancer Radiotherapy And Occupational Radiation Protection, Lydia Joyce Wilson May 2019

Framework For Algorithmically Optimizing Longitudinal Health Outcomes: Examples In Cancer Radiotherapy And Occupational Radiation Protection, Lydia Joyce Wilson

LSU Doctoral Dissertations

Background: Advancements in the treatment of non-infectious disease have enabled survival rates to steadily increase in recent decades (e.g., diabetes, heart disease, and cancer). Epidemiological studies have revealed that the treatments for these diseases can have life-threatening and/or life–altering effects. Thus, realizing the full beneficial potential of advanced treatments necessitates new tools to algorithmically consider all major components of the health outcome, including benefit and detriment. The goal of this dissertation was to develop a framework for improving projected health outcomes following planned radiation exposures in consideration of all beneficial and detrimental, early and late, and fatal and non-fatal …


An Objective Procedure For Delineating The Circumpolar Vortex, Nazla Bushra, Robert V. Rohli May 2019

An Objective Procedure For Delineating The Circumpolar Vortex, Nazla Bushra, Robert V. Rohli

Faculty Publications

The broad-scale, steering atmospheric circulation in the Northern Hemisphere, represented by the tropospheric circumpolar vortex (CPV), is an important driver of environmental processes. The area and circularity of the CPV are analyzed hereby delineating the leading edge of the CPV at the steepest 500-hPa geopotential height gradient globally. The daily CPV area and circularity were aggregated to monthly averages for contrast with measurements identified in previous research for the overlapping period of record (1979-2001). Accuracy of representation of the CPV is assessed through correlations to air-sea teleconnections known to be associated with broad-scale, extratropical steering circulation. Correlation to monthly teleconnection …


Spatial Variations In Chlorophyll A, C, N, And P In A Louisiana Estuary From 1994 To 2016, R. Eugene Turner, Erick M. Swenson, Charles S. Milan, James M. Lee May 2019

Spatial Variations In Chlorophyll A, C, N, And P In A Louisiana Estuary From 1994 To 2016, R. Eugene Turner, Erick M. Swenson, Charles S. Milan, James M. Lee

Faculty Publications

Intense sampling of an estuary can reveal relative spatial changes that are significant irrespective of whether or not the estuary is eutrophic, micro- or meso-tidal, disturbed, or restored. This waterscape' perspective is analogous to a landscape perspective. We collected monthly water samples in the Barataria Basin watershed from 1994 to 2016 at 37 stations along a 129km transect from 1km offshore to a freshwater stream. The average Chlorophyll a (Chl) concentration from 267 trips was supported from both nitrogen-fixing cyanobacteria in a freshwater lake and partially from nutrients in seaward sources. Estuarine salinity was correlated with the discharge of the …


Plant-Based Crosslinked Polymers, Jackie Davies May 2019

Plant-Based Crosslinked Polymers, Jackie Davies

Honors Capstones

No abstract provided.


Accelerating Many-Nucleon Basis Generation For High Performance Computing Enabled Ab Initio Nuclear Structure Studies, Daniel Langr, Tomáš Dytrych, Kristina D. Launey, Jerry P. Draayer May 2019

Accelerating Many-Nucleon Basis Generation For High Performance Computing Enabled Ab Initio Nuclear Structure Studies, Daniel Langr, Tomáš Dytrych, Kristina D. Launey, Jerry P. Draayer

Faculty Publications

We present the problem of generating a many-nucleon basis in SU(3) -scheme for ab initio nuclear structure calculations in a symmetry-adapted no-core shell model framework. We first discuss and analyze the basis construction algorithm whose baseline implementation quickly becomes a significant bottleneck for large model spaces and heavier nuclei. The outcomes of this analysis are utilized to propose a new scalable version of the algorithm. Its performance is consequently studied empirically using the Blue Waters supercomputer. The measurements show significant acceleration achieved with over two orders of magnitude speedups realized for larger model spaces.


First-Principles Study Of Feo2HX Solid And Melt System At High Pressures: Implications For Ultralow-Velocity Zones, Jie Deng, Bijaya B. Karki, Dipta B. Ghosh, Kanani K.M. Lee May 2019

First-Principles Study Of Feo2HX Solid And Melt System At High Pressures: Implications For Ultralow-Velocity Zones, Jie Deng, Bijaya B. Karki, Dipta B. Ghosh, Kanani K.M. Lee

Faculty Publications

Pyrite-type FeO H (P phase) has recently been suggested as a possible alternative to explain ultralow-velocity zones due to its low seismic velocity and high density. Here we report the results on the congruent melting temperature and melt properties of P phase at high pressures from first-principles molecular dynamics simulations. The results show that P phase would likely be melted near the core–mantle boundary. Liquid FeO H has smaller density and smaller bulk sound velocity compared to the isochemical P phase. As such, relatively small amounts of liquid FeO H could account for the observed seismic anomaly of ultralow-velocity zones. …


Data-Driven Estimation Of Significant Kinetic Parameters Applied To The Synthesis Of Polyolefins, Santiago D. Salas, Amanda L.T. Brandão, João B.P. Soares, José A. Romagnoli May 2019

Data-Driven Estimation Of Significant Kinetic Parameters Applied To The Synthesis Of Polyolefins, Santiago D. Salas, Amanda L.T. Brandão, João B.P. Soares, José A. Romagnoli

Faculty Publications

A data-driven strategy for the online estimation of important kinetic parameters was assessed for the copolymerization of ethylene with 1,9-decadiene using a metallocene catalyst at different diene concentrations and reaction temperatures. An initial global sensitivity analysis selected the significant kinetic parameters of the system. The retrospective cost model refinement (RCMR) algorithm was adapted and implemented to estimate the significant kinetic parameters of the model in real time. After verifying stability and robustness, experimental data validated the algorithm performance. Results demonstrate the estimated kinetic parameters converge close to theoretical values without requiring prior knowledge of the polymerization model and the original …