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Lecture

Thermodynamic Modeling: Real Solutions

In course

MSE-422: Advanced metallurgy

This course covers the metallurgy, processing and properties of modern high-performance metals and alloys (e.g. advanced steels, Ni-base, Ti-base, High Entropy Alloys etc.). In addition, the principles of computational alloy design as well as approaches fo ...

Description

This lecture delves into thermodynamic modeling of real solutions in materials science, focusing on regular and sublattice models. It covers the Gibbs energy function, enthalpy of mixing, and binary interaction parameters. The lecture also discusses the quasi-chemical approach, entropy and enthalpy terms, and extrapolation to higher-order systems. Various examples and phase stabilities are analyzed, along with the influence of interaction parameters. The lecture concludes with a detailed exploration of thermodynamic databases for steel and Fe-alloys, providing insights into elements, systems, phases, and properties.

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Instructor

Christian Leinenbach

Official source

Ontological neighbourhood

Physics

Thermodynamics: Statistical mechanics

Related concepts (32)

Thermodynamic process

Classical thermodynamics considers three main kinds of thermodynamic process: (1) changes in a system, (2) cycles in a system, and (3) flow processes. (1)A Thermodynamic process is a process in which the thermodynamic state of a system is changed. A change in a system is defined by a passage from an initial to a final state of thermodynamic equilibrium. In classical thermodynamics, the actual course of the process is not the primary concern, and often is ignored.

Thermodynamic cycle

A thermodynamic cycle consists of linked sequences of thermodynamic processes that involve transfer of heat and work into and out of the system, while varying pressure, temperature, and other state variables within the system, and that eventually returns the system to its initial state. In the process of passing through a cycle, the working fluid (system) may convert heat from a warm source into useful work, and dispose of the remaining heat to a cold sink, thereby acting as a heat engine.

Thermodynamic equilibrium

Thermodynamic equilibrium is an axiomatic concept of thermodynamics. It is an internal state of a single thermodynamic system, or a relation between several thermodynamic systems connected by more or less permeable or impermeable walls. In thermodynamic equilibrium, there are no net macroscopic flows of matter nor of energy within a system or between systems. In a system that is in its own state of internal thermodynamic equilibrium, no macroscopic change occurs.

Thermodynamic state

In thermodynamics, a thermodynamic state of a system is its condition at a specific time; that is, fully identified by values of a suitable set of parameters known as state variables, state parameters or thermodynamic variables. Once such a set of values of thermodynamic variables has been specified for a system, the values of all thermodynamic properties of the system are uniquely determined. Usually, by default, a thermodynamic state is taken to be one of thermodynamic equilibrium.

Thermodynamic databases for pure substances

Thermodynamic databases contain information about thermodynamic properties for substances, the most important being enthalpy, entropy, and Gibbs free energy. Numerical values of these thermodynamic properties are collected as tables or are calculated from thermodynamic datafiles. Data is expressed as temperature-dependent values for one mole of substance at the standard pressure of 101.325 kPa (1 atm), or 100 kPa (1 bar). Both of these definitions for the standard condition for pressure are in use.

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