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Articles 31 - 60 of 76
Full-Text Articles in Physics
Features Of Heart Activity Of Cattle In The Conditions Of Southern Aral Sea Region, Svetlana Mambetullaeva, Khayratdin Seytkamalov
Features Of Heart Activity Of Cattle In The Conditions Of Southern Aral Sea Region, Svetlana Mambetullaeva, Khayratdin Seytkamalov
Karakalpak Scientific Journal
In this article, the results of comparative analysis of electrocardiogram are shown for the cows of different breeds in the Aral Sea region. It is set that the high temperature of the environment and sunny insolation render a negative influence on the functional parameters of the cardiac vascular system of animals. There are facts about the cows of different breeds at the influence of different temperatures that have unidirectional functional changes in the operation of the heart. At the same time, we will mark that these changes are less expressed for the cows of the improved zebu visible cattle, what …
Photoelectric Injection Amplification Of Al–Al2o3–P-Cdte–Mo Structures At Low Bias Voltages, A K. Uteniyazov
Photoelectric Injection Amplification Of Al–Al2o3–P-Cdte–Mo Structures At Low Bias Voltages, A K. Uteniyazov
Karakalpak Scientific Journal
The results of studies of photoelectric injection enhancement of the Al–Al2O3–p-CdTe –Mo structure upon application of low bias voltages. It has been shown that the studied Al-Al2O3–p-CdTe-Mo structure under can be represented as a n+-p-Rом structure with a long base. Conducted researches show that Al-Al2O3–p-CdTe-Mo structure has unique properties. It has very high photocurrent and photosensitivity at both direct and reverse dias voltage under even small bias voltage (up to 500mV).
Synthesis Of Supramolecular Complex L– (-) – Menthol, Ziyada Djumanova Dr, Lolaxan Ettibaeva, Ugilay Abduraxmonova, Zulfiya Khalmuratova
Synthesis Of Supramolecular Complex L– (-) – Menthol, Ziyada Djumanova Dr, Lolaxan Ettibaeva, Ugilay Abduraxmonova, Zulfiya Khalmuratova
Karakalpak Scientific Journal
In this article glycyrrhizic acid content with menthol in several various proportions (2:1; 4:1; 9:1), information was given on synthesis and physical and chemical properties of new supermolecular complexes. Received supramolecular complexes concerning 4:1 it was chemically defined and also studied the structure of supramolecular complexes by physical methods on the basis of interaction of organic molecules with electromagnetic radiation, in particular their range IR – of spectroscopy. Our work of the near future will be turned to check its recent supramolecular complexes on the basis of GA: Menthol for growth of a plant and biotic elasticity of tension …
Spectrophotometric Characterization Of The Complexation Of Gossypol Acetic Acid With Cobalt Ion, Ugilay Abdurahmanova, Habibjon Kushiev, Maral Askarova, Dilafruz Allanazarova
Spectrophotometric Characterization Of The Complexation Of Gossypol Acetic Acid With Cobalt Ion, Ugilay Abdurahmanova, Habibjon Kushiev, Maral Askarova, Dilafruz Allanazarova
Karakalpak Scientific Journal
The authors of the article suggest simple and express method of spectrophotometric determination of cobalt with the help of derivatives of gossypol. Optimal conditions of determining cobalt are found. Under optimal conditions there was created a graded graph, which is more linear in the range for cobalt concentration of 10.0 – 50.0 microgram/25 ml, contents and constants of cobalt complex with gossypol vinegar acid.
Fuzzy Synergetic Control Nonlinear Dynamic Objects, Isomiddin Sidikov, Noilakhon Yakubova, Komil Usmanov, Saparbay Kazakhbayev
Fuzzy Synergetic Control Nonlinear Dynamic Objects, Isomiddin Sidikov, Noilakhon Yakubova, Komil Usmanov, Saparbay Kazakhbayev
Karakalpak Scientific Journal
The article deals with the synthesis of effective algorithms for controlling a chemical reactor and developed a fuzzy synergistic controller for a class of indefinite nonlinear dynamic systems. A synergetic control scheme is proposed for solving the control problem for nonlinear systems. Non-linear systems with configurations and parameters that change over time require a completely non-linear model and adaptive control scheme for a practical operating environment. The synthesis of control laws is performed by the method of analytical design of aggregated controllers (ACAR). Fuzzy logic systems are used to evaluate the unknown nonlinear behavior of the system, and a new …
Synthesis, Characterisation And Biological Evaluation Of Tyramine Derived Schiff Base Ligand And Its Transition Metal(Ii) Complexes, Abdul Khader Jailani, N.S.K. Gowthaman, Mookkandi Palsamy Kesavan
Synthesis, Characterisation And Biological Evaluation Of Tyramine Derived Schiff Base Ligand And Its Transition Metal(Ii) Complexes, Abdul Khader Jailani, N.S.K. Gowthaman, Mookkandi Palsamy Kesavan
Karbala International Journal of Modern Science
In this study, a new tyramine derived Schiff base ligand (L) (L=1,3-phenylene-bis-4-aminoantipyrinyl-4-aminoethylphenol) and its derived transition metal(II) complexes [Cu(L)Cl2](1), [Ni(L)Cl2](2), [Co(L)Cl2] (3) and [Zn(L)Cl2] (4) have been synthesized and well characterized by the way of different spectroscopic and analytical techniques. Analytical and spectroscopic studies result suggests that metal(II) complexes more probably have octahedral geometry. DNA binding tendency of L and metal(II) complexes 1-4 have been assessed by probing their ability to bind with Calf Thymus DNA (CT-DNA) via electronic absorption and cyclic voltammetry titration methods. The results clearly reveal that the metal(II) …
Evaluation Of Structure And Properties Of Various Sol–Gel Nanocoatings On Biomedical Titanium Surface, Mohsin Talib Mohammed, Sarah Mohammed Hussein
Evaluation Of Structure And Properties Of Various Sol–Gel Nanocoatings On Biomedical Titanium Surface, Mohsin Talib Mohammed, Sarah Mohammed Hussein
Karbala International Journal of Modern Science
This study deals with the preparation and characterization of different bioceramic nanofilms formed on the surface of new metastable β-titanium (Ti) alloy. The films of pure TiO2, pure HA, TiO2/HA bilayer and HA/TiO2 composite were coated successfully on Ti surface by sol-gel using spray pyrolysis deposition technique. The surface characteristics of coated substrates, such as thickness, topography, morphology, phase transformations and wear behavior, were evaluated and compared to uncoated substrate. The results showed that the sol-gel is a promising technique to create biocoatings on Ti surface with outstanding structure and properties for biomedical applications.
Transition State Theory Application To H2 Gas Sensitivity Of Pristine And Pd Doped Sno2 Clusters, Mudar Ahmed Abdulsattar
Transition State Theory Application To H2 Gas Sensitivity Of Pristine And Pd Doped Sno2 Clusters, Mudar Ahmed Abdulsattar
Karbala International Journal of Modern Science
The reaction of H2 and O2 gases with pristine and Pd doped Sn10O16 clusters is investigated using transition state theory and density functional theory. The reaction of hydrogen and oxygen molecules is controlled by a transition state that implies crossing an activation energy hill to react with the SnO2 cluster. Our investigation performs thermodynamic calculations, including Gibbs free energy, enthalpy, and entropy of activation and reaction in the temperature range 25-500 °C. The results show that the Gibbs free energy of activation of H2 gas reaction is 0.23 and 0.18 eV for pristine …
On The Dynamic Behaviour Of Automobile Pulleys Under Cyclic Loading, Haval Kamal Asker, Thaker Saleh Dawood
On The Dynamic Behaviour Of Automobile Pulleys Under Cyclic Loading, Haval Kamal Asker, Thaker Saleh Dawood
Karbala International Journal of Modern Science
This paper investigates the dynamic characteristics of pulley systems with different numbers of bolt holes. Models with four, six and eight bolt holes were chosen for the pulley. Three sets of cyclic pressure were applied to the pulley system to resemble the different running revolutions of an engine. The study investigates the effect of the number of holes on the system’s stiffness and natural frequency. Finite element models were used to simulate the obtained deformations, stresses and frequency response function (FRF) for pulley models comprising four, six and eight bolt holes under different cyclic pressures. The results show that the …
Optically Thick Radiating Free Convective Mhd Nanofluid Flow Over An Exponentially Accelerated Plate, D.P. Bhatta, S.R. Mishra, J.K. Dash
Optically Thick Radiating Free Convective Mhd Nanofluid Flow Over An Exponentially Accelerated Plate, D.P. Bhatta, S.R. Mishra, J.K. Dash
Karbala International Journal of Modern Science
The present analysis investigates an unsteady conducting water-based nanofluid embedding with porous medium over an exponentially accelerated vertical plate. The plate is accelerated with moving ramped temperature. However, water is treated as the base fluid with Copper (Cu) and Titanium Oxide (TiO2) as nanoparticles. Effects of thermal radiation, heat source, and radiation absorption are taken care of in the energy equation which may enhance the heat transfer properties of nanofluid. The crux of the investigation is to find the closed-form solution of nonlinear coupled partial differential equations. Laplace Transform technique is employed to solve these equations. The influence …
A Support Vector Machine-Based Prediction Model For Electrochemical Machining Process, Subham Agarwal Mr., Shruti Sudhakar Dandge Ms., Shankar Chakraborty Prof.
A Support Vector Machine-Based Prediction Model For Electrochemical Machining Process, Subham Agarwal Mr., Shruti Sudhakar Dandge Ms., Shankar Chakraborty Prof.
Karbala International Journal of Modern Science
Manufacturing of quality products is one of the core measures to address competitiveness in industries. Hence, it is always necessary to accomplish quality prediction at early stages of a manufacturing process to attain high quality products at the minimum possible cost. To achieve this goal, the past researchers have developed and investigated the applications of different intelligent techniques for their effective deployment at various stages of manufacturing processes. In this paper, support vector machine (SVM), a supervised learning system based on a novel artificial intelligence paradigm, is employed for prediction of three responses, like material removal rate, surface roughness and …
Influence Of Carbon Fibres On Strain Sensing And Structural Properties Of Rc Beams Without Stirrups, Arvind Kumar Cholker, Manzoor Ahmad Tantray
Influence Of Carbon Fibres On Strain Sensing And Structural Properties Of Rc Beams Without Stirrups, Arvind Kumar Cholker, Manzoor Ahmad Tantray
Karbala International Journal of Modern Science
In present study, effect of micro carbon fibres on strain sensing property and structural behavior of the reinforced concrete (RC) beams in absence of stirrups was experimentally investigated. A total of three RC beams of dimensions, 125 mm width, 350 mm height and 1500 mm long were manufactured without stirrups. All the three beams had different longitudinal reinforcement ratios (0.9%, 1.43% and 1.03 %) and uniform strength of concrete of 36.5 MPa. All the beams had carbon fibre based concrete (CFBC) at top and bottom surface in mid span for a length of 350mm and depth of 78 mm. All …
Approximating Fixed Points In Modular Spaces, Salwa Salman Abed, Meena Fouad Abduljabbar
Approximating Fixed Points In Modular Spaces, Salwa Salman Abed, Meena Fouad Abduljabbar
Karbala International Journal of Modern Science
A generic two theorems for the two step iterative sequence of multivalued mappings are proved in a complete convex real modular space, and then cite some corollaries that are special cases of these theorems.
Table Of Contents
Journal of the South Carolina Academy of Science
No abstract provided.
Comparison Of The Vibrational Modes Of Thiolated Gold Nanoparticles Undergoing Core-Conversions Via Raman Spectroscopy, William Gregory Cannella Jr.
Comparison Of The Vibrational Modes Of Thiolated Gold Nanoparticles Undergoing Core-Conversions Via Raman Spectroscopy, William Gregory Cannella Jr.
Honors Theses
In this project, the vibrational characteristics/vibrational modes are explored via Raman Spectroscopy for thiolated-gold nanoparticles. This class of compounds is also known as gold nanoparticles (AuNPs). They remain of great interest in research areas such as catalysis, gold dependent nanoelectronics, drug delivery, and sensing, due to their unique size-dependent optical, chiroptical, and electronic properties. Vibrational spectroscopy of thiolated gold nanoparticles are oftentimes considered nontrivial as the compounds strongly absorb light in the visible region of the electromagnetic spectrum, are generally considered weak scatterers, and give off large amounts of fluorescence. This combined with their black appearance, susceptibility to localized heating, …
Richardsite, Zn2cugas4, A New Gallium-Essential Member Of The Stannite Group From The Gem Mines Near Merelani, Tanzania, Luca Bindi, John A. Jaszczak
Richardsite, Zn2cugas4, A New Gallium-Essential Member Of The Stannite Group From The Gem Mines Near Merelani, Tanzania, Luca Bindi, John A. Jaszczak
Michigan Tech Publications
The new mineral richardsite occurs as overgrowths of small (50–400 μm) dark gray, disphenoidal crystals with no evident twinning, but epitaxically oriented on wurtzite–sphalerite crystals from the gem mines near Merelani, Lelatema Mountains, Simanjiro District, Manyara Region, Tanzania. Associated minerals also include graphite, diopside, and Ge,Ga-rich wurtzite. It is brittle, dark gray in color, and has a metallic luster. It appears dark bluish gray in reflected plane-polarized light, and is moderately bireflectant. It is distinctly anisotropic with violet to light-blue rotation tints with crossed polarizers. Reflectance percentages for Rmin and Rmax in air at the respective wavelengths are 23.5, 25.0 …
Investigations Of Technetium Metal And The Synthesis Of Binary Technetium Nitrides Under Extreme Conditions, Emily Siska
Investigations Of Technetium Metal And The Synthesis Of Binary Technetium Nitrides Under Extreme Conditions, Emily Siska
UNLV Theses, Dissertations, Professional Papers, and Capstones
Technetium (Tc) is the lightest of the radioactive elements and has no stable isotopes. Significant quantities of Tc are not naturally occurring on earth. However, technetium is found in high fission yield in nuclear reactors and produced for medical imaging. With its long half life, and high mobility in the environment make it of particular interest. To that end, the fundamental chemistry of Tc and Tc compounds is not as well understood compared to neighboring elements on the periodic table. Therefore, fundamental studies designed to better understand this transition metal, coupled with more targeted investigation at high temperature and pressure …
Hot Electron Chemistry On Bimetallic Plasmonic Nanoparticles, Bryn E. Merrill, Bingjie Zhang, Jerry Larue
Hot Electron Chemistry On Bimetallic Plasmonic Nanoparticles, Bryn E. Merrill, Bingjie Zhang, Jerry Larue
Student Scholar Symposium Abstracts and Posters
Catalysis provides pathways for efficient and selective chemical reactions through the lowering of energy barriers for desired products. Gold nanoparticles (AuNP) show excellent promise as plasmonic catalysts. Localized surface plasmon resonances are oscillations of the electron bath at the surface of a nanoparticle that generate energetically intense electric fields and rapidly decay into energetically excited electrons. The excited electrons have the potential to destabilize strongly bound oxygen atoms through occupation of accessible anti-bonding orbitals. Tuning the anti-bonding orbitals to make them accessible for occupancy will be achieved by coating the AuNP in a thin layer of another transition metal, such …
Volume 12, Haleigh James, Hannah Meyls, Hope Irvin, Megan E. Hlavaty, Samara L. Gall, Austin J. Funk, Karyn Keane, Sarah Ghali, Antonio Harvey, Andrew Jones, Rachel Hazelwood, Madison Schmitz, Marija Venta, Haley Tebo, Jeremiah Gilmer, Bridget Dunn, Benjamin Sullivan, Mckenzie Johnson
Volume 12, Haleigh James, Hannah Meyls, Hope Irvin, Megan E. Hlavaty, Samara L. Gall, Austin J. Funk, Karyn Keane, Sarah Ghali, Antonio Harvey, Andrew Jones, Rachel Hazelwood, Madison Schmitz, Marija Venta, Haley Tebo, Jeremiah Gilmer, Bridget Dunn, Benjamin Sullivan, Mckenzie Johnson
Incite: The Journal of Undergraduate Scholarship
Introduction, Dr. Roger A. Byrne, Dean
From the Editor, Dr. Larissa "Kat" Tracy
From the Designers, Rachel English, Rachel Hanson
Immortality in the Mortal World: Otherworldly Intervention in "Lanval" and "The Wife of Bath's Tale" by Haleigh James
Analysis of Phenolic Compounds in Moroccan Olive Oils by HPLC by Hannah Meyls
Art by Hope Irvin
The Effects of Cell Phone Use on Gameplay Enjoyment and Frustration by Megan E. Hlavaty, Samara L. Gall, and Austin J. Funk
Care, No Matter What: Planned Parenthood's Use of Organizational Rhetoric to Expand its Reputation by Karyn Keane
Analysis of Petroleum Products for …
An Experiential Report On The Thayer Method Of Teaching Across College-Level Chemistry, Biology, Math, And Physics Courses, Kevin P. O'Halloran, Sairam Tangirala, Fengjie Sun, Leonard E. Anagho, Gerald Agbegha, Clay Runck, David Roth, Amy H. Erickson
An Experiential Report On The Thayer Method Of Teaching Across College-Level Chemistry, Biology, Math, And Physics Courses, Kevin P. O'Halloran, Sairam Tangirala, Fengjie Sun, Leonard E. Anagho, Gerald Agbegha, Clay Runck, David Roth, Amy H. Erickson
Georgia Journal of Science
The Thayer method of instruction is a little-known active learning technique that dates back to 1817 at the U.S. Military Academy. This study describes the implementation and statistical evaluation of an adaptation of the Thayer method in a variety of college science and math courses. All courses had five characteristics in common: (i) students were given a daily reading schedule and instructed to prepare before class, (ii) each class started with a question and answer session, (iii) class time minimized the use of lecture, (iv) class time maximized the use of active learning, and (v) students were frequently quizzed. A …
The Generality Of The Guga Mrci Approach In Columbus For Treating Complex Quantum Chemistry, Hans Lischka, Ron Shepard, Thomas Müller, Peter G. Szalay, Russell M. Pitzer, Adelia J. A. Aquino, Carol A. Parish, Et Al.
The Generality Of The Guga Mrci Approach In Columbus For Treating Complex Quantum Chemistry, Hans Lischka, Ron Shepard, Thomas Müller, Peter G. Szalay, Russell M. Pitzer, Adelia J. A. Aquino, Carol A. Parish, Et Al.
Chemistry Faculty Publications
The core part of the program system COLUMBUS allows highly efficient calculations using variational multireference (MR) methods in the framework of configuration interaction with single and double excitations (MR-CISD) and averaged quadratic coupled-cluster calcu- lations (MR-AQCC), based on uncontracted sets of configurations and the graphical unitary group approach (GUGA). The availability of analytic MR-CISD and MR-AQCC energy gradients and analytic nonadiabatic couplings for MR-CISD enables exciting applications including, e.g., investigations of π-conjugated biradicaloid compounds, calculations of multitudes of excited states, development of dia- batization procedures, and furnishing the electronic structure information for on-the-fly surface nonadiabatic dynamics. With fully vari- ational …
Sulfur Dioxide From The Atmospheric Chemistry Experiment Satellite, Doug Cameron
Sulfur Dioxide From The Atmospheric Chemistry Experiment Satellite, Doug Cameron
College of Sciences Posters
The version 4.0 dataset from the Atmospheric Chemistry Experiment – Fourier Transform Spectrometer (ACE-FTS) on SCISAT, released in March of 2019, has sulfur dioxide (SO2) volume mixing ratio (VMR) profiles as a routine data product. From this dataset, global SO2 distributions between the altitudes of 10.5 km and 23.5 km are analyzed. The global distribution of all SO2 VMR data by altitude is broken down into 30° and 5° latitude zones. Seasonality of the global SO2 distribution is explored. Volcanic SO2 plumes are isolated in the dataset and compared with extinction data from the …
Monitoring And Identifying The Rhodamine 6g-Hydroxide Ion Reaction Using In-Situ, Surface-Enhanced Raman Spectroscopy, Ryan Lamb
Masters Theses & Specialist Projects
An effective method for monitoring chemical reactions is necessary to better understand their mechanisms and kinetics. Effective reaction monitoring requires a spectroscopy technique with fast data acquisition, high sensitivity, structure-to-spectrum correlation, and low solvent interference. Surface-enhanced Raman spectroscopy (SERS) provides these features, which makes it a valuable tool for monitoring reactions. To obtain the Raman enhancement, metallic nanostructures typically made of silver or gold are aggregated using a salt. The nanoparticles aggregates must then be stabilized using a surfactant to use this method in situ due to eventual nanoparticle precipitation. In this study, gold nanoparticles stabilized with sodium dodecyl sulfate …
Study Of Deformation Parameters (Β2, Δ) For 18,20,22,24,26,28ne Isotopes In Sdpf Shell, Ahmed H. Ali, Maha Taha Idrees
Study Of Deformation Parameters (Β2, Δ) For 18,20,22,24,26,28ne Isotopes In Sdpf Shell, Ahmed H. Ali, Maha Taha Idrees
Karbala International Journal of Modern Science
The quadrupole deformation is basic to study the shape transitions; it is possible to predict many important properties of even-even nuclei as a function of the deformation parameter. The deformations of nuclei are important for understanding their shapes prolate or oblate. The quadrupole deformation parameters were calculated by the transition probability B (E2) for 18, 20, 22, 24, 26,28Ne isotopes, were adopted different interactions three. The calculations are performed with the Bohr-Mottelson (B-M) effective charges, which represent the effect of the core-polarizations. Also, the deformation parameters were calculated for different nuclei and adopted two methods of calculation: from reduced …
Investigation Of Glucose Oxidation At Gold Nanoparticles Deposited At Carbon Nanotubes Modified Glassy Carbon Electrode By Theoretical And Experimental Methods., Farhat Saira, Humaira Razzaq, Misbah Mumtaz, Safeer Ahmad, Muhammad Aftab Rafiq, Azra Yaqub, Nabiha Dilshad, Ayesha Ihsan, Muhammad Masood Ul Hasan
Investigation Of Glucose Oxidation At Gold Nanoparticles Deposited At Carbon Nanotubes Modified Glassy Carbon Electrode By Theoretical And Experimental Methods., Farhat Saira, Humaira Razzaq, Misbah Mumtaz, Safeer Ahmad, Muhammad Aftab Rafiq, Azra Yaqub, Nabiha Dilshad, Ayesha Ihsan, Muhammad Masood Ul Hasan
Karbala International Journal of Modern Science
In the current research work, AuNPs-CNTs nanocomposite was synthesized chemically and decoration of AuNPs on the surface of MWCNTs was confirmed by UV-Vis, SEM and XPS analysis. Synthesized nanocomposite was utilized for its application towards non-enzymatic glucose sensing by modifying glassy carbon electrode with nanocomposite employing electrochemical techniques. In addition, theoretical calculations were performed by Density Functional Theory (DFT), employing B3YLP with basis set 6- 311+G(d,p) in gaseous phase and LANL2DZ basis set. Both theoretical and experimental results predicted Au-CNTs composite as a better candidate for glucose oxidation as compared to CNTs and AuNPs alone, owing to the synergistic effect …
Using Freak Descriptor To Classify Plasma Influence In Mice Sperm, Ekhlas Falih, Alaa Noori Mazhar
Using Freak Descriptor To Classify Plasma Influence In Mice Sperm, Ekhlas Falih, Alaa Noori Mazhar
Karbala International Journal of Modern Science
Numerous classification mechanisms anticipate the class's instances to be carried out as the features' vectors, namely the points in a feature's space. It is oftentimes a chance to make an informative exemplification of an image's feature vector for classification problems in computer vision like utilizing global descriptors for the texture description or shape description. The proposed methodology is to classify the sperm image in mice that has been affected through plasma and this methodology consists of three stages. The points of interest could be elicited from sperm plasma images in the first stage by utilizing Adaptive and Generic Corner detector …
Laser-Induced Breakdown Spectroscopy For Elemental Analysis In Bioarchaeology And Forensic Anthropology, Kelsi N. Kuehn
Laser-Induced Breakdown Spectroscopy For Elemental Analysis In Bioarchaeology And Forensic Anthropology, Kelsi N. Kuehn
USF Tampa Graduate Theses and Dissertations
Within bioarchaeology and forensic anthropology, the current processes of differentiating between individual human skeletal remains are imprecise, costly, and inefficient. A novel analytical technique within anthropology, laser-induced breakdown spectroscopy (LIBS) can aid in the identification of human remains using rapid laser ablation occurring at the micro-scale, making the technique virtually non-destructive to the sample. Considering this, LIBS could offer a superior method for materials discrimination and human identification. This research sought to examine whether LIBS can be used to obtain elemental signatures within bones to distinguish individuals from one another in a rapid, non-destructive manner. Seven human skeletal donors and …
Computational Modeling Of Charge And Excitation Energy Transfer Dynamics In Complex Environments, Ning Chen
Computational Modeling Of Charge And Excitation Energy Transfer Dynamics In Complex Environments, Ning Chen
Dissertations, Theses, and Capstone Projects
This thesis describes computational simulations of charge and exciton dynamics and quantum calculations of organic conjugated oligomers. A comprehensive computational study of charge hopping dynamics was conducted for a model of disordered chain of sites coupled to quantum environments. Time-dependent mean square displacement, diffusion constant, and mobility were calculated by three different computational methods for solving the master equation, which validate the accuracy of calculations. Approximate rate kernels were also tested to understand the effects of approximations in representing quantum environments. In addition to the effects of temperature and disorder, different values of the gradient in the site energy were …