Density-Functional Theory (DFT)
A successful theory for calculating the electrical structure of atoms, molecules, and solids is density-functional theory (DFT). Its objective is to use the fundamental laws of quantum mechanics to quantitatively comprehend the properties of materials.
When combined with non-equilibrium Green’s functions, density functional theory (DFT) is a quantum-mechanical atomistic simulation technique that can calculate a wide range of properties of almost any type of atomic system, including those of molecules, and crystals, surfaces, and even electronic devices.
DFT is a member of the first principles (ab initio) approach family, so termed for their ability to predict material properties for unidentified systems without the use of experiments. DFT has become well-known among these due to the minimal computational effort needed.
The DFT technique is frequently used in the fields of organic and inorganic chemistry, materials science (such as ceramics or metallurgy), drug production, and electronic materials.
Protecting yourself and others from the spread COVID-19 © who.int
You can reduce your chances of being infected or spreading COVID-19 by taking some simple precautions:
- Regularly and thoroughly clean your hands with an alcohol-based hand rub or wash them with soap and water. Why? Washing your hands with soap and water or using alcohol-based hand rub kills viruses that may be on your hands.
- Maintain at least 1 metre (3 feet) distance between yourself and others. Why? When someone coughs, sneezes, or speaks they spray small liquid droplets from their nose or mouth which may contain virus. If you are too close, you can breathe in the droplets, including the COVID-19 virus if the person has the disease.
- Avoid going to crowded places. Why? Where people come together in crowds, you are more likely to come into close contact with someone that has COIVD-19 and it is more difficult to maintain physical distance of 1 metre (3 feet).
- Avoid touching eyes, nose and mouth. Why? Hands touch many surfaces and can pick up viruses. Once contaminated, hands can transfer the virus to your eyes, nose or mouth. From there, the virus can enter your body and infect you.
- Make sure you, and the people around you, follow good respiratory hygiene. This means covering your mouth and nose with your bent elbow or tissue when you cough or sneeze. Then dispose of the used tissue immediately and wash your hands. Why? Droplets spread virus. By following good respiratory hygiene, you protect the people around you from viruses such as cold, flu and COVID-19.
- Stay home and self-isolate even with minor symptoms such as cough, headache, mild fever, until you recover. Have someone bring you supplies. If you need to leave your house, wear a mask to avoid infecting others. Why? Avoiding contact with others will protect them from possible COVID-19 and other viruses.
- If you have a fever, cough and difficulty breathing, seek medical attention, but call by telephone in advance if possible and follow the directions of your local health authority. Why? National and local authorities will have the most up to date information on the situation in your area. Calling in advance will allow your health care provider to quickly direct you to the right health facility. This will also protect you and help prevent spread of viruses and other infections.
- Keep up to date on the latest information from trusted sources, such as WHO or your local and national health authorities. Why? Local and national authorities are best placed to advise on what people in your area should be doing to protect themselves.
Most widely used pigment in paint manufacturing industry – Titanium Oxide (TiO2)
Titanium dioxide, also called titania, (TiO2), a white, opaque, naturally occurring mineral existing in a number of crystalline forms, the most important of which are Rutile and Anatase. Anatase TiO2 changes to Rulite above 800 °C.
Titanium dioxide pigment is a fine white powder. When used in paints, it provides for maximum whiteness and opacity. … It does this more effectively than any other white pigment. Today, Titanium dioxide pigment is by far the most important material used by the paints manufacturing industry for whiteness and opacity.
These naturally occurring oxide forms can be mined and serve as a source for commercial titanium. Titanium dioxide is odourless and absorbent. Its most important function in powder form is as a widely used pigment for lending whiteness and opacity.
Titanium Oxide
Rust Prevention in Automobile Industry
No matter the age of the vehicle that you buy, you can still bring out the beauty in that vehicle by taking the right steps, so why would you not take steps to protect that investment. Rust prevention is something you need to pay attention to and it is a step that you can take to really extend the life of your vehicle. This is especially true if you live in Lagos Nigeria where corrosion can be a real issue. We are talking about areas such as those that are close to the ocean, as you have moisture and salt to deal with, both of which will eat up your vehicle from the inside out rather quickly.
A small scratch or chip in the paint can allow corrosion to take a hold in the exposed metal, so have those little scratches repaired as quickly as possible. Also, when you clean, add a nice coat of wax to the exterior paint for yet another level of protection.
Always insist on getting a ‘quality’ durable painting next time you visit a car spray booth. It is not enough to pay less and get less quality painting that will not last long before you re-paint again. In the real sense, good painting glows with time, as you wash the vehicle the pigments in the paint which have been formulated according to their proposed use – primer, undercoat, special finishes (matt, gloss, heat resistance, anti-corrosion, abrasion resistance) serve as barrier coating to protect your vehicle.
Hydrogen-Induced Cracking (HIC)
In oil and gas industry, pipeline for natural gas transportation is exposed to wet H2S environments (sour environments) in some cases. The presence of H2S in the sour environment enhances hydrogen entry into the steel as a result of catalytic action of H2S. Absorbed hydrogen atoms in the steel diffuse and accumulate in a local area and finally cause several types of environmental cracking such as hydrogen-induced cracking (HIC), sulfide stress cracking (SSC), and stress oriented hydrogen-induced cracking. HIC is one of the major issues of line pipe exposed to sour environments. There are some guidelines on materials requirements for carbon and low alloy steels for H2S-containing environments in oil and gas production. In general, HIC susceptibility, such as crack sensitivity ratio (CSR), crack length ratio (CLR), and crack area ratio (CAR), is evaluated after the test duration, typically 96 hours, in accordance with NACE Standard TM0284-2016.