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Articles 301 - 330 of 500

Full-Text Articles in Chemistry

Nobiletin Affects Circadian Rhythms And Oncogenic Characteristics In A Cell-Dependent Manner, Sujeewa S. Lellupitiyage Don, Kelly L. Robertson, Hui-Hsien Lin, Caroline Labriola, Mary E. Harrington, Stephanie R. Taylor, Michelle E. Farkas Jul 2020

Nobiletin Affects Circadian Rhythms And Oncogenic Characteristics In A Cell-Dependent Manner, Sujeewa S. Lellupitiyage Don, Kelly L. Robertson, Hui-Hsien Lin, Caroline Labriola, Mary E. Harrington, Stephanie R. Taylor, Michelle E. Farkas

Psychology: Faculty Publications

The natural product nobiletin is a small molecule, widely studied with regard to its therapeutic effects, including in cancer cell lines and tumors. Recently, nobiletin has also been shown to affect circadian rhythms via their enhancement, resulting in protection against metabolic syndrome. We hypothesized that nobiletin’s anti-oncogenic effects, such as prevention of cell migration and formation of anchorage independent colonies, are correspondingly accompanied by modulation of circadian rhythms. Concurrently, we wished to determine whether the circadian and anti-oncogenic effects of nobiletin differed across cancer cell lines. In this study, we assessed nobiletin’s circadian and therapeutic characteristics to ascertain whether these …


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 Jun 2020

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 Jun 2020

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.


On The Dynamic Behaviour Of Automobile Pulleys Under Cyclic Loading, Haval Kamal Asker, Thaker Saleh Dawood Jun 2020

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 Jun 2020

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. Jun 2020

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 Jun 2020

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 Jun 2020

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.


Editorial Board Jun 2020

Editorial Board

Karbala International Journal of Modern Science

No abstract provided.


Integrated In Silico Techniques For Mechanism Studies Of Antiviral And Antidiabetic Compounds, Mohd Isa Diyana Jun 2020

Integrated In Silico Techniques For Mechanism Studies Of Antiviral And Antidiabetic Compounds, Mohd Isa Diyana

Student Works (2020-2029)

Discovery and development of drug is an iterative process that involves identification of target and leads discovery, lead optimization and pre-clinical of biological profile and is continued until the drugs are eligible to be tested in the clinical phase. Computer-aided drug design (CADD) is an efficient way to overcome the demands of cost, time consumption and drug validation. CADD utilizes in silico technique approaches such as molecular docking to understand their binding pattern and affinity with the target protein and molecular dynamic (MD) simulations to provide an atomic view of the dynamic behavior and stability of bioactive compound inside the …


Synergistic Use Of Remote Sensing And Modeling For Estimating Net Primary Productivity In The Red Sea With Vgpm, Eppley-Vgpm, And Cbpm Models Intercomparison, Wenzhao Li, Surya Prakash Tiwari, Hesham El-Askary, Mohamed Ali Qurban, Vassilis Amiridis, K. P. Manikandan, Michael J. Garay, Olga V. Kalashnikova, Thomas C. Piechota, Daniele C. Struppa May 2020

Synergistic Use Of Remote Sensing And Modeling For Estimating Net Primary Productivity In The Red Sea With Vgpm, Eppley-Vgpm, And Cbpm Models Intercomparison, Wenzhao Li, Surya Prakash Tiwari, Hesham El-Askary, Mohamed Ali Qurban, Vassilis Amiridis, K. P. Manikandan, Michael J. Garay, Olga V. Kalashnikova, Thomas C. Piechota, Daniele C. Struppa

Mathematics, Physics, and Computer Science Faculty Articles and Research

Primary productivity (PP) has been recently investigated using remote sensing-based models over quite limited geographical areas of the Red Sea. This work sheds light on how phytoplankton and primary production would react to the effects of global warming in the extreme environment of the Red Sea and, hence, illuminates how similar regions may behave in the context of climate variability. study focuses on using satellite observations to conduct an intercomparison of three net primary production (NPP) models--the vertically generalized production model (VGPM), the Eppley-VGPM, and the carbon-based production model (CbPM)--produced over the Red Sea domain for the 1998-2018 time period. …


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 Apr 2020

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 …


Computational Chemistry In The Cloud, Gregory Campbell Apr 2020

Computational Chemistry In The Cloud, Gregory Campbell

19th Annual Celebration of Undergraduate Research and Creative Activity (2020)

Computational chemistry requires expensive computers and significant computer expertise. We are remedying these issues by using cloud computing to lower costs and by developing our Server In The Cloud (SITC) script to reduce the need for local expertise. SITC implements computational chemistry engines with the user-friendly WebMO interface on Google and Amazon cloud computers. In this way, we are making computational chemistry cheaper and more accessible to a wider range of chemistry students and researchers.


Study Of Deformation Parameters (Β2, Δ) For 18,20,22,24,26,28ne Isotopes In Sdpf Shell, Ahmed H. Ali, Maha Taha Idrees Mar 2020

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 Mar 2020

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 Mar 2020

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 …


Editorial Board Mar 2020

Editorial Board

Karbala International Journal of Modern Science

No abstract provided.


Nf-Κb Inhibitors Attenuate Mcao Induced Neurodegeneration And Oxidative Stress—A Reprofiling Approach, Awais Ali, Fawad Ali Shah, Alam Zeb, Imran Malik, Arooj Mohsin Alvi, Lina Tariq Alkury, Sajid Rashid, Ishtiaq Hussain, Najeeb Ullah, Arif Ullah Khan, Phil Ok Koh, Shupeng Li Mar 2020

Nf-Κb Inhibitors Attenuate Mcao Induced Neurodegeneration And Oxidative Stress—A Reprofiling Approach, Awais Ali, Fawad Ali Shah, Alam Zeb, Imran Malik, Arooj Mohsin Alvi, Lina Tariq Alkury, Sajid Rashid, Ishtiaq Hussain, Najeeb Ullah, Arif Ullah Khan, Phil Ok Koh, Shupeng Li

All Works

© Copyright © 2020 Ali, Shah, Zeb, Malik, Alvi, Alkury, Rashid, Hussain, Ullah, Ullah Khan, Koh and Li. Stroke is the leading cause of morbidity and mortality worldwide. About 87% of stroke cases are ischemic, which disrupt the physiological activity of the brain, thus leading to a series of complex pathophysiological events. Despite decades of research on neuroprotectants to probe for suitable therapies against ischemic stroke, no successful results have been obtained, and new alternative approaches are urgently required in order to combat this pathological torment. To address these problems, drug repositioning/reprofiling is explored extensively. Drug repurposing aims to identify …


Advancement Of Predictive Modeling Of Zeta Potentials (Ζ) In Metal Oxide Nanoparticles With Correlation Intensity Index (Cii), Andrey A. Toropov, Natalia Sizochenko, Alla P. Toropova, Danuta Leszczynska, Jerzy Leszczynski Jan 2020

Advancement Of Predictive Modeling Of Zeta Potentials (Ζ) In Metal Oxide Nanoparticles With Correlation Intensity Index (Cii), Andrey A. Toropov, Natalia Sizochenko, Alla P. Toropova, Danuta Leszczynska, Jerzy Leszczynski

Articles

It was expected that index of the ideality of correlation (IIC) and correlation intensity index (CII) could be used as possible tools to improve the predictive power of the quantitative model for zeta potential of nanoparticles. In this paper, we test how the statistical quality of quantitative structure-activity models for zeta potentials (ζ, a common measurement that reflects surface charge and stability of nanomaterial) could be improved with the use of these two indexes. Our hypothesis was tested using the benchmark data set that consists of 87 measurements of zeta potentials in water. We used quasi-SMILES molecular representation to take …


Automated Process Of Quantifying Scientific Images Using Fiji, Olivia Casimir Jan 2020

Automated Process Of Quantifying Scientific Images Using Fiji, Olivia Casimir

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.


Polyacrylamide In Glycerol Solutions From An Atomistic Perspective Of The Energetics, Structure, And Dynamics, Scott D. Hopkins, Gideon K. Gogovi, Eric Weisel, Robert A. Handler, Estela Blaisten-Barojas Jan 2020

Polyacrylamide In Glycerol Solutions From An Atomistic Perspective Of The Energetics, Structure, And Dynamics, Scott D. Hopkins, Gideon K. Gogovi, Eric Weisel, Robert A. Handler, Estela Blaisten-Barojas

VMASC Publications

All-atom molecular dynamics is used to investigate the structural, energetic, and dynamical properties of polyacrylamide (PAM) oligomers of different lengths solvated in pure glycerol, a 90:10 glycerol–water mixture, and pure water. We predict that the oligomers’ globular structure is obtained only when the modeling strategy considers the solvent as a continuous background. Meanwhile, for all-atom modeled solvents, the glycerol solutions display a strong tendency of trapping the oligomers in instantaneous elongated random coiled structures that remain locked-in over tens of nanoseconds. In pure water, the oligomers acquire considerably shorter random coiled structures of increased flexibility. The all-atom force field, generalized …


Design Of Reinforced Concrete Deep Beams Using Particle Swarm Optimization Technique, Qais F. Hasan, Dler A. Al-Mamany, Omer K. Fayadh Dec 2019

Design Of Reinforced Concrete Deep Beams Using Particle Swarm Optimization Technique, Qais F. Hasan, Dler A. Al-Mamany, Omer K. Fayadh

Karbala International Journal of Modern Science

Researches available in literature interrelating neural networks to civil engineering design problems, especially for beep beams, are very rare. Therefore, an optimization algorithm is developed and verified in this study and coded using MATLAB functions to determine the optimum cost design of reinforced concrete deep beams. ACI 318-14 code method is used benefiting from iterative particle swarm optimization technique due to its efficiency and reliability. Minimizing total cost is used as the objective function in terms of four decision variables. Self-adaptive penalty function technique is used to handle constraints for each of the 300 randomly selected particles, and in each …


Artificial Bee Colony Algorithm For Solving Fuzzy Multi-Objective Bed Allocation Model, Abdulhakeem Luqman Hasan Dec 2019

Artificial Bee Colony Algorithm For Solving Fuzzy Multi-Objective Bed Allocation Model, Abdulhakeem Luqman Hasan

Karbala International Journal of Modern Science

With the improvement of the medical services frameworks rivalry, hospitals face more and more challenges. In the interim, allotment of resource has a crucial influence on performing competitive benefits in a hospitals. To choose the suitable beds number is one of the most essential tasks in hospital administration. Anyway, in true condition, bed allotment choice is a multiple-side problem with weakness and haphazardness of the information available. It is so sophisticated. Therefore, the research about bed allotment difficulty is comparatively rare under considering multiple departments, nursing hours, and stochastic information about arrival and service of patients. In this paper, we …


Evaluation Of Atmospherically Gases Using Models Flaash And Quac To Hyper-Spectral Imagery, Asmaa Maher Dec 2019

Evaluation Of Atmospherically Gases Using Models Flaash And Quac To Hyper-Spectral Imagery, Asmaa Maher

Karbala International Journal of Modern Science

The important step is correction of the effect of atmospheric on hyper-spectral imagery of the VIS “visible”, short wave & NIR “near-infrared” spectral range. In general, the cause for limiting the use of hyperspectral images is the atmospheric effects, so, atmospheric correction is necessary for any accurate processing. In this work, two atmospheric correction techniques have been applied on Hyper-spectral image. From the raw original image and also from the FLAASH and QUAC atmospheric corrected images the spectra of vegetation, water and soil were extracted. The acquisition data for study contained Hyperion bands for year “2015” images over each of …


Editorial Board Dec 2019

Editorial Board

Karbala International Journal of Modern Science

No abstract provided.


Properties Of Concrete Modified With Ultra-Fine Slag, Panga Narasimha Reddy, Javed Ahmed Naqash Sep 2019

Properties Of Concrete Modified With Ultra-Fine Slag, Panga Narasimha Reddy, Javed Ahmed Naqash

Karbala International Journal of Modern Science

The supplementary cementitious materials (SCM) can be used as a replacement of cement in the construction industry to minimize the drawbacks of normal concrete such as the emission of carbon dioxide so as to be eco-friendly. This paper presents the effect of ultra-fine slag (i.e. 25% of alccofine) as a replacement of cement for different water to binder ratios (i.e. 0.38, 0.4 and 0.45). The effect of alccofine on the concrete strength properties were studied at 7 and 28 days wherein considerable strength enhancement was observed compared to normal concrete. Thermogravimetric analysis was also carried out in which mass loss …


Analytical Approach To Investigation Of Free Vibration Of Thin Rectangular Plate Immersed In Fluid, Resting On Winkler And Pasternak Foundations, Obanishola Sadiq, Gbeminiyi Sobamowo, Saheed Salawu Sep 2019

Analytical Approach To Investigation Of Free Vibration Of Thin Rectangular Plate Immersed In Fluid, Resting On Winkler And Pasternak Foundations, Obanishola Sadiq, Gbeminiyi Sobamowo, Saheed Salawu

Karbala International Journal of Modern Science

Dynamic behaviour of free vibration of rectangular plate is investigated. This study considered an analytical approach to investigation of free vibration of thin rectangular plate immersed in fluid, resting on Winkler and Pasternak foundations.The governing nonlinear partial differential equation is analyzed using two-dimensional differential transform method. The accuracy of the analytical solutions obtained is verified with existing results in literature and confirmed in excellent agreement. Thereafter, the analytical solutions are used for investigation of effect of elastic foundation, fluid and aspect ratio on vibrating plate.From the result, it is observed that, increase elastic foundation parameters increases natural frequency, increase aspect …


Editorial Board Sep 2019

Editorial Board

Karbala International Journal of Modern Science

No abstract provided.


9th Annual Postdoctoral Science Symposium, University Of Texas Md Anderson Cancer Center Postdoctoral Association Sep 2019

9th Annual Postdoctoral Science Symposium, University Of Texas Md Anderson Cancer Center Postdoctoral Association

Annual Postdoctoral Science Symposium Abstracts

The mission of the Annual Postdoctoral Science Symposium (APSS) is to provide a platform for talented postdoctoral fellows throughout the Texas Medical Center to present their work to a wider audience. The MD Anderson Postdoctoral Association convened its inaugural Annual Postdoctoral Science Symposium (APSS) on August 4, 2011.

The APSS provides a professional venue for postdoctoral scientists to develop, clarify, and refine their research as a result of formal reviews and critiques of faculty and other postdoctoral scientists. Additionally, attendees discuss current research on a broad range of subjects while promoting academic interactions and enrichment and developing new collaborations.


A New Approach To The Potential Energy Of Solids, Radhika Chauhan, Sanjeev K. Verma, Anushri Gupta, Anita Kumari, B. D. Indu Jul 2019

A New Approach To The Potential Energy Of Solids, Radhika Chauhan, Sanjeev K. Verma, Anushri Gupta, Anita Kumari, B. D. Indu

Karbala International Journal of Modern Science

A general theory is developed to investigate the expression for potential energy without using (i) empirical results and (ii) process of parameterizing. The simple approach of thermodynamics is adopted to obtain the expressions for the interaction energy of solids in terms of interatomic separation and crystal volume. The new findings have been applied to obtain the expressions for bulk modulus and pressure. The variation of the potential energy function, which provides a means to understand the stability of a crystal has been found in excellent agreements to the earlier results. The use of obtained harmonic and anharmonic force constants may …