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VESTA Tutorial: Simulation of XRD patterns – Matrix transformation of {h k l} planes Miller indices

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This VESTA tutorial demonstrates the following: 1. How to download and analyze .cif (Crystallographic Information File) from Open Crystallographic Database using VESTA program? 2. How to simulate X-ray diffraction patterns in VESTA from the crystal unit cell volume? 3. How to interpret and view the lattice planes, d-spacing in a 3-dimensional way? 4. How to perform matrix transformation correctly, in {hkl} Miller indices planes? 5. Matrix transformation by using simple matrix multiplication followed by the location of the new Miller plane after the transformation.   6. Identification of Miller {hkl} planes from crystal dimensions and XRD patterns. 7. Correlates the unit cell dimensions, d-spacing and 2-theta (2θ) values.

Python code to Laptop Battery Life Saver - Battery Status Check

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Coded a light-weight Python program (600 KB), 'Battery Life Saver' to extend the life span of laptop batteries with GUI (Graphical User Interfae)   Using a Laptop Battery continuously by overcharging above 90% or by below 15%, reduces its life span.   This light-weight .exe program, Battery Life Saver will alarm, on excess charging or discharging.     Check this page for downloading this program Download Battery Life Saver Program     Battery percentage can be checked by ‘psutil’ and it can retrieve battery information. psutil (process and system utilities) is a cross-platform library for retrieving information on running processes and system utilization (CPU, memory, disks, network, sensors) in Python.   Installation of psutil Windows in Command Prompt as Administrator:   pip install psutil   For Linux distributions: sudo apt-get install gcc python3-dev sudo pip3 install psutil   Code   import psutil   # Get

Automating References or Bibliography for Research Paper, Book, PhD Thesis

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Zotero Tutorial - Automating References / Bibliography for Writing Research Paper, Book and PhD Thesis in MS Word. For academicians, researchers and Ph.D. scholars, inserting & editing the References or  Bibliography manually to a specific Journal Reference style is tedious & time consuming, while writing a research paper or a book or a PhD thesis or manuscripts with MS Word processor. With Zotero (freeware) in Word this boring and cumbersome referencing  process can be automated easily and quickly. This video tutorial demonstrates how to insert / modify the references fetched from webpages in word using Zotero.

Rietveld refinement of crystal data by FullProf suite computer program

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This video tutorial demonstrates the first basics of the Rietveld refinement using FullProf Suite computer program (freeware), for crystal structures based on crystallographic information file (.cif) and simulations for X-ray diffraction patterns.   YouTube Link: https://www.youtube.com/watch?v=1lMi_uI9R58   By, Dr. M Kanagasabapathy Assistant Professor Department of Chemistry Rajapalayam Rajus’ College Madurai Kamaraj University Rajapalayam (TN) India  

Electronic Circuit Simulator - Free tool to analyze electronic circuits

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Free electronic circuit simulator to study and analyze electronic circuits. It has a good user interface and has a sizable number of circuit components. Its very useful tool for educational purposes and to analyze basic circuits to complicated circuits. Download Links  Windows       Linux   Mac (If not downloaded, o pen the link in New tab and enter.)  

Energy correlation between Pizza and Diesel

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Assume a slice of pizza weighing 100 g has 250 Calories. Correlate its energy content to diesel (calorific value of diesel is 44000 kJ/kg; density of diesel is 0.83 kg L –1 ).   One dietary Calorie, C is equal to 1 kilocalories (kcal).   1 calorie = 4.184 Joules. 1 kg or 1000 g diesel has 44000 kJ = 44000/4.184 ≈ 10516 kcal.   In other words, 10516 kcal are present in 1000 g of diesel.   It is mentioned that, 100 g pizza = 250 kcal (or 250 C). Therefore, 250 kcal are present in (250×1000)/ 10516 = 23.8 g diesel.   Density of diesel = 0.83 kg L –1 = 830 g per 1000 mL.   This means, 830 g diesel occupies 1000 mL volume.    ∴ 23.8 g diesel = (23.8×1000)/830 ≈ 28.7 mL.   Hence, 100 g pizza with 250 Calories ≅ 28.7 mL of diesel.  

Simulating Cyclic voltammetric curves

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Cyclic voltammetry is an imperative electrochemical analytical tool to probe the electrochemical characteristics, electrochemical kinetics and to assess the performance of the fabricated electrode materials for batteries, supercapacitors, fuel cells, biosensors, etc. It is also deployed to scrutinize the electrochemical signature of the pharmaceutical / chemical / biochemical compounds and nanocomposite materials, polymers, complexes, etc., as well as to explore the electron transfer process from energy storage to bio-medical applications.   It consists of three electrode cell assembly immersed in the electrolyte and a computer controlled Potentiostat is used to control the potential and to monitor the current. 1. Working electrode (WE) where the required redox reaction takes place. 2. Reference electrode (RE) to vary / monitor the potential (E, V) of the WE. Potential between WE and RE is varied at a pre-defined scan-rate, denoted as ν (V.s -1 ) between t

XRD CUBIC - Simulation of Unit cell dimension, (h, k, l) - Miller indices d-spacing from X-ray diffraction (XRD) angle, 2-theta (For Cubic crystals)

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Designed a basic computer program “XRD CUBIC” (coded in Python)  to simulate possible unit crystal cell length (a), Miller indices - {h, k, l} and interplanar spacing (d) for cubic crystals from observed (experimental) X-ray diffraction (XRD) angle that is 2-theta.   It can simulate all these possible crystal lattice parameters for cubic crystal systems such as Simple Cubic or Face Centered Cubic or Body Centered Cubic systems, between the given 2–theta values within the range of specified cell length (a) limits.     1. Enter wavelength of X-ray (in Angstroms) 2. Enter minimum and maximum diffraction angle as 2-theta (in Degrees) 3. Enter minimum and maximum unit cell length (in Angstroms) All the possible cubic crystal parameters as well as diffraction angle with reference to d-spacing between the given Miller indices (h k l planes) will be simulated. Video Tutorial   Designed by: Dr. M Kanagasabapathy, Asst. Professor Departm

NSE live BANK NIFTY option chain data in Excel sheet

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Get the Live NIFTY Bank Index Option Chain Data in Excel Sheet for CE & PE. Bank Nifty Trend can analyzed from this Excel based on Change in Open Interest, Price and Volume. Fetch the various data such as Last Traded Price (LTP), Open Interest (OI), Change in Open Interest (%), Change in Price (%), Total Volume Traded, Buy Volume, Sell Volume, Implied Volatility (IV), etc., for both Calls and Puts. A simplified Excel sheet for traders of Bank Nifty Index, coded in VBA, to fetch the real-time NSE BANK NIFTY option chain price data with different expiry dates and at a few strike prices from the underlying price. Analyze in-depth for the changes in Open Interest (OI), Changes in Price as well as the Buy, Sell Volumes, Total Volumes Traded etc., at a few different strike prices with At the Money (ATM).  Screenshot Designed by, Dr. M Kanagasabapathy Important Disclaimer: This Excel Sheet is designed for educational purposes only.  Either this web page or the Administrator of this web p

Laptop Battery Life Saver

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Coded a lightweight program (600 KB), 'Battery Life Saver' to extend the life span of laptop batteries. Using a Laptop Battery continuously by overcharging above 90% or by below 15%, reduces its life span.   This light-weight .exe program, Battery Life Saver will alarm, on excess charging or discharging.   Set the desired Battery Limit Percentage using the slider, say 50% and allow the Battery Life Saver to give alarm. It automatically detects, charging and battery status. Screenshots DOWNLOAD Download the Python codes for this program, from this page.   Python code for Laptop Battery Life Saver     Author Dr. M Kanagasabapathy Asst. Professor, Department of Chemistry Rajus’ College, Madurai Kamaraj University Rajapalayam (Tamil Nadu) India 626117

Google Sheet to check the consistent growth of a stock for 52 weeks

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Designed a Google sheet-based analysis to check, whether the growth of a stock is consistent or not in the past one year. It calculates and averages the return of every previous, 7 days' close price for the past 1 year, from yesterday’s date and closing price. So it's possible to check whether the growth is consistent for the past 52 weeks instead of conventional one-year return calculation, which is based on initial and final dates of a year. In simple, it estimates an average of weekly returns (for the consequent previous 52 weeks from yesterday) and compares it with conventional yearly return (%). Screenshot Link to Google sheet

INVESTOCK – Simple Python computer programing code to fetch & back test NSE historical (15+ years) stock price data

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F et ch hist orical price data and back test between any two dates of NSE Stocks using this simple Python code and import them in .CSV file and predict the winning percentage. Step 1. Install NSEPY Open Command Prompt (in Windows 10) as Administrator. Then paste the following commands (shown in red ) one after another. C:\Python\python.exe -m pip install --upgrade pip Wait to upgrade... pip install nsepy Wait to upgrade... pip install nsepy –upgrade Wait to upgrade... Screenshot for installation in Windows 10 OS. Step 2. Fetching the price data Now open Python IDLE and paste the following code. Save it with a suitable filename, with an extension '.py'. Stock symbols and Date Enter the equity code as in NSE, India. Example: “TCS”) Enter starting and closing date digits, in the format, “yyyy,mm,dd” Example: “7-Aug-2021” is entered as: “2021,8,7") Change Symbol and starting as well as closing date in the required format. The data will be saved as .CSV file. Code Copy and past

Python codes to fetch & analyze the NSE stock market data

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Python codes to fetch & analyze the NSE stock market data This page consists of basic Python codes to fetch and to analyze the stock market data for equities, index and derivative (futures & options) listed in National Stock Exchange (NSE).                   Trade and price data for equity Download Link   Extracting historical price data Download Link   Visualizing historical price data: Plotting a graph Download Link   Extracting historical price data from .csv file Download Link   Calculating Simple Moving Average (SMA) Download Link   Automating the price data fetching Download Link   Importing the fetched price data as .csv file Download Link   Fetching the price data for multiple stocks Download Link   OPEN HIGH OPEN LOW (OHOL) strategy Download Link   Predicting the trend with price change data Download Link   Visualizing the intra-day p

How to calculate Area under Curve & FWHM using the computer program Origin?

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Area under a curve can be estimated by integration method. (Check the references for more details.) Full width at half maximum (FWHM) for a curve is used in many scientific data analyses.  For instance, in X–ray diffraction (XRD) analysis of crystal data, it is used to find grain size.   It can be easily calculated using, quadratic equation. (Check the references for more details.) This tutorial shows how to use the computer program Origin to estimate both ' Area under a Curve ' as well as ' FWHM '. Check these eNotes for  references 1.  Full Width at Half Maximum (FWHM) & Quadratic equation 2. Introduction to Quadratic equation 3.  Area under curve by integration method

JavaScript Codes: Math - Trigonometric Functions

Input : Sine JavaScript & HTML code for SINE function Input : Sine JavaScript - Trigonometric Functions Calculator Input:        (Values in degree) sin : cos : tan : csc : sec : cot : asin : acos : atan : sinh : cosh : tanh : csch : sech : coth : asinh: acosh: atanh:

Corrosion Potential, Corrosion Current from Tafel Plot

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Potentiodymanic Polarization – Tafel plot -  Estimation of Corrosion Current & Corrosion Potential - Video Tutorial   Estimation Corrosion Current (i corr ) & Corrosion Potential (E corr ) from Tafel plot.   Tafel Plot     Author Dr. M Kanagasabapathy Associate Professor Department of Chemistry Rajapalayam Rajus’ College Madurai Kamaraj University Rajapalayam 626117 (TN) Watch Video Watch on YouTube