Miedema's Model
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Miedema's Model
Miedema's model is a semi-empirical approach for estimating the heat of formation of solid or liquid metal alloys and compounds in the framework of thermodynamic calculations for metals and minerals. It was developed by the Dutch scientist Andries Rinse Miedema (15 November 1933 – 28 May 1992) while working at Philips Natuurkundig Laboratorium. It may provide or confirm basic enthalpy data needed for the calculation of phase diagrams of metals, via CALPHAD or ab initio quantum chemistry methods. History Miedema introduced his approach in several papers, beginning in 1973 in ''Philips Technical Review Magazine'' with "A simple model for alloys". Miedema described his motivation with "Reliable rules for the alloying behaviour of metals have long been sought. There is the qualitative rule that states that the greater the difference in the electronegativity of two metals, the greater the heat of formation - and hence the stability. Then there is the Hume-Rothery rule, which st ...
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Liquid Metal
A liquid metal is a metal or a metal alloy which is liquid at or near room temperature. The only stable liquid elemental metal at room temperature is Mercury (element), mercury (Hg), which is molten above −38.8 °C (234.3 K, −37.9 °F). Three more stable elemental metals melt just above room temperature: caesium (Cs), which has a melting point of 28.5 °C (83.3 °F); gallium (Ga) (30 °C [86 °F]); and rubidium (Rb) (39 °C [102 °F]). The radioactive metal francium (Fr) is probably liquid close to room temperature as well. Calculations predict that the radioactive metals copernicium (Cn) and flerovium (Fl) should also be liquid at room temperature. Alloys can be liquid if they form a eutectic, meaning that the alloy's melting point is lower than any of the alloy's constituent metals. The standard metal for creating liquid alloys used to be mercury (element), mercury, but gallium-based alloys, which are lower both in their vapor press ...
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Lanthanide
The lanthanide () or lanthanoid () series of chemical elements comprises the 15 metallic chemical elements with atomic numbers 57–71, from lanthanum through lutetium. These elements, along with the chemically similar elements scandium and yttrium, are often collectively known as the rare-earth elements or rare-earth metals. The informal chemical symbol Ln is used in general discussions of lanthanide chemistry to refer to any lanthanide. All but one of the lanthanides are f-block elements, corresponding to the filling of the 4f electron shell. There is some dispute on whether lanthanum or lutetium is a d-block element, but lutetium is usually considered so by those who study the matter; it is included due to its chemical similarities with the other 14. All lanthanide elements form trivalent cations, Ln3+, whose chemistry is largely determined by the ionic radius, which decreases steadily from lanthanum to lutetium. These elements are called lanthanides because the elements i ...
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Metallurgy
Metallurgy is a domain of materials science and engineering that studies the physical and chemical behavior of metallic elements, their inter-metallic compounds, and their mixtures, which are known as alloys. Metallurgy encompasses both the science and the technology of metals; that is, the way in which science is applied to the production of metals, and the engineering of metal components used in products for both consumers and manufacturers. Metallurgy is distinct from the craft of metalworking. Metalworking relies on metallurgy in a similar manner to how medicine relies on medical science for technical advancement. A specialist practitioner of metallurgy is known as a metallurgist. The science of metallurgy is further subdivided into two broad categories: chemical metallurgy and physical metallurgy. Chemical metallurgy is chiefly concerned with the reduction and oxidation of metals, and the chemical performance of metals. Subjects of study in chemical metallurgy include mi ...
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Solid-state Chemistry
Solid-state chemistry, also sometimes referred as materials chemistry, is the study of the synthesis, structure, and properties of solid phase materials, particularly, but not necessarily exclusively of, non-molecular solids. It therefore has a strong overlap with solid-state physics, mineralogy, crystallography, ceramics, metallurgy, thermodynamics, materials science and electronics with a focus on the synthesis of novel materials and their characterisation. Solids can be classified as crystalline or amorphous on basis of the nature of order present in the arrangement of their constituent particles. History Because of its direct relevance to products of commerce, solid state inorganic chemistry has been strongly driven by technology. Progress in the field has often been fueled by the demands of industry, sometimes in collaboration with academia. Applications discovered in the 20th century include zeolite and platinum-based catalysts for petroleum processing in the 1950s, high-pur ...
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Alloys
An alloy is a mixture of chemical elements of which at least one is a metal. Unlike chemical compounds with metallic bases, an alloy will retain all the properties of a metal in the resulting material, such as electrical conductivity, ductility, opacity, and luster, but may have properties that differ from those of the pure metals, such as increased strength or hardness. In some cases, an alloy may reduce the overall cost of the material while preserving important properties. In other cases, the mixture imparts synergistic properties to the constituent metal elements such as corrosion resistance or mechanical strength. Alloys are defined by a metallic bonding character. The alloy constituents are usually measured by mass percentage for practical applications, and in atomic fraction for basic science studies. Alloys are usually classified as substitutional or interstitial alloys, depending on the atomic arrangement that forms the alloy. They can be further classified as homogene ...
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Computational Thermodynamics
Computational thermodynamics is the use of computers to simulate thermodynamic problems specific to materials science, particularly used in the construction of phase diagrams. Several open and commercial programs exist to perform these operations. The concept of the technique is minimization of Gibbs free energy of the system; the success of this method is due not only to properly measuring thermodynamic properties, such as those in the list of thermodynamic properties, but also due to the extrapolation of the properties of metastable allotropes of the chemical elements. History The computational modeling of metal-based phase diagrams, which dates back to the beginning of the previous century mainly by Johannes van Laar and to the modeling of regular solutions, has evolved in more recent years to the CALPHAD (CALculation of PHAse Diagrams). This has been pioneered by American metallurgist Larry Kaufman since the 1970s. Current state Computational thermodynamics may be considere ...
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Enthalpy Of Mixing
In thermodynamics, the enthalpy of mixing (also heat of mixing and excess enthalpy) is the enthalpy liberated or absorbed from a substance upon mixing. When a substance or compound is combined with any other substance or compound, the enthalpy of mixing is the consequence of the new interactions between the two substances or compounds. This enthalpy, if released exothermically, can in an extreme case cause an explosion. Enthalpy of mixing can often be ignored in calculations for mixtures where other heat terms exist, or in cases where the mixture is ideal. The sign convention is the same as for enthalpy of reaction: when the enthalpy of mixing is positive, mixing is endothermic, while negative enthalpy of mixing signifies exothermic mixing. In ideal mixtures, the enthalpy of mixing is null. In non-ideal mixtures, the thermodynamic activity of each component is different from its concentration by multiplying with the activity coefficient. One approximation for calculating the he ...
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Intermetallic
An intermetallic (also called an intermetallic compound, intermetallic alloy, ordered intermetallic alloy, and a long-range-ordered alloy) is a type of metallic alloy that forms an ordered solid-state compound between two or more metallic elements. Intermetallics are generally hard and brittle, with good high-temperature mechanical properties. They can be classified as stoichiometric or nonstoichiometic intermetallic compounds. Although the term "intermetallic compounds", as it applies to solid phases, has been in use for many years, its introduction was regretted, for example by Hume-Rothery in 1955. Definitions Research definition Schulze in 1967 defined intermetallic compounds as ''solid phases containing two or more metallic elements, with optionally one or more non-metallic elements, whose crystal structure differs from that of the other constituents''. Under this definition, the following are included: #Electron (or Hume-Rothery) compounds #Size packing phases. e.g. Lav ...
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Gibbs Energy
In thermodynamics, the Gibbs free energy (or Gibbs energy; symbol G) is a thermodynamic potential that can be used to calculate the maximum amount of work (physics), work that may be performed by a closed system, thermodynamically closed system at constant temperature and pressure. It also provides a necessary condition for processes such as Chemical reaction, chemical reactions that may occur under these conditions. The Gibbs free energy change , measured in joules in International System of Units, SI) is the ''maximum'' amount of non-expansion work that can be extracted from a closed system (one that can exchange heat and work with its surroundings, but not matter) at fixed temperature and pressure. This maximum can be attained only in a completely reversible process (thermodynamics), reversible process. When a system transforms reversibly from an initial state to a final state under these conditions, the decrease in Gibbs free energy equals the work done by the system to its s ...
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Phase Diagram
A phase diagram in physical chemistry, engineering, mineralogy, and materials science is a type of chart used to show conditions (pressure, temperature, volume, etc.) at which thermodynamically distinct phases (such as solid, liquid or gaseous states) occur and coexist at equilibrium. Overview Common components of a phase diagram are ''lines of equilibrium'' or ''phase boundaries'', which refer to lines that mark conditions under which multiple phases can coexist at equilibrium. Phase transitions occur along lines of equilibrium. Metastable phases are not shown in phase diagrams as, despite their common occurrence, they are not equilibrium phases. Triple points are points on phase diagrams where lines of equilibrium intersect. Triple points mark conditions at which three different phases can coexist. For example, the water phase diagram has a triple point corresponding to the single temperature and pressure at which solid, liquid, and gaseous water can coexist in a stabl ...
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Periodic Table
The periodic table, also known as the periodic table of the (chemical) elements, is a rows and columns arrangement of the chemical elements. It is widely used in chemistry, physics, and other sciences, and is generally seen as an icon of chemistry. It is a graphic formulation of the periodic law, which states that the properties of the chemical elements exhibit an approximate periodic dependence on their atomic numbers. The table is divided into four roughly rectangular areas called blocks. The rows of the table are called periods, and the columns are called groups. Elements from the same group of the periodic table show similar chemical characteristics. Trends run through the periodic table, with nonmetallic character (keeping their own electrons) increasing from left to right across a period, and from down to up across a group, and metallic character (surrendering electrons to other atoms) increasing in the opposite direction. The underlying reason for these trends is ...
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Transition Metal
In chemistry, a transition metal (or transition element) is a chemical element in the d-block of the periodic table (groups 3 to 12), though the elements of group 12 (and less often group 3) are sometimes excluded. They are the elements that can use d orbitals as valence orbitals to form chemical bonds. The lanthanide and actinide elements (the f-block) are called inner transition metals and are sometimes considered to be transition metals as well. Since they are metals, they are lustrous and have good electrical and thermal conductivity. Most (with the exception of group 11 and group 12) are hard and strong, and have high melting and boiling temperatures. They form compounds in any of two or more different oxidation states and bind to a variety of ligands to form coordination complexes that are often coloured. They form many useful alloys and are often employed as catalysts in elemental form or in compounds such as coordination complexes and oxides. Most are strongly param ...
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