Adiabat_1ph
Adiabat_1ph is a public menu-driven front-end to the MELTS, pMELTS, and pHMELTS models of thermodynamic equilibrium in silicate systems. It is described in a software brief in G-cubed.
http://www.gps.caltech.edu/~asimow/adiabat/
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Energy-Constrained Recharge-Assimilation-Fractional Crystallization (EC-RAFC)
EC-RAFC is a self-consistent formulation of energy, mass and species conservation for a magma body undergoing concurrent assimilation-fractional crystallization, with or without recharge. The model tracks the system as magma cools and crystallizes and wallrock heats up and partially melts. A set of coupled non-linear differential equations describing the conservation equations are solved incrementally until magma and wallrock reach thermal equilibrium. Output provides a path-dependent view of the isotope and trace element, energetic, and material changes to the cooling, crystallizing magma body.
http://magma.geol.ucsb.edu/papers/ECAFC.html
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GeoChemical Data toolkit (GCDkit)
The GeoChemical Data ToolKIT is a system for handling and recalculation of whole-rock analyses from igneous rocks. It is written in R, a language and environment for statistical computing and graphics.
Main features of GCDkit are:
- Standard geochemical calculations involving major-, trace-element as well as Sr-Nd data
- Effective data management (searching, grouping)
- Common plots (binary, ternary, spider diagrams)
- Graphic output to publication quality
- Modular architecture (= easily expandable and modifiable)
- Transparent functionality & availability (open source freeware, WWW).
http://www.gcdkit.org/
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MELTS
MELTS is a software package designed to facilitate thermodynamic modeling of phase equilibria in magmatic systems. It provides the ability to compute equilibrium phase relations for igneous systems over the temperature range 500-2000 °C and the pressure range 0-2 GPa.
http://melts.ofm-research.org/index.html
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Perple_X
Serie di programmi Fortran77 per calcolare e visualizzare diagrammi di fase, equilibri di fase e dati termodinamici.
http://www.perplex.ethz.ch/
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PHREEQC
PHREEQC version 2 is a computer program written in the C programming language that is designed to perform a wide variety of low-temperature aqueous geochemical calculations.
http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html
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Software list
Few geology related computer programs available around the net.
http://www.ndsu.nodak.edu/instruct/sainieid/software/software_list.shtml
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THERMOBAROMETRY
This programme calculates pressures and temperatures for garnet - cordierite - spinel - sillimanite/kyanite - quartz anhydrous or hydrous pelitic assemblages. It is derived from the shareware NICHOLS programme, which is available in either Macintosh or PC friendly formats. This version additionally allows the P vs T graphical representation of the calculated isopleths.
http://www.es.mq.edu.au/geology/geoff/geotherm/html/
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Thermocalc
THERMOCALC is a thermodynamic calculation software package for tackling mineral equilibria problems. It has two main components: the application itself, and the internally-consistent thermodynamic dataset it uses.
http://rock.esc.cam.ac.uk/astaff/holland/thermocalc.html
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VESTA
Visualization for Electronic and STructural Analysis is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies. Some of the novel features of VESTA are listed below.
- Deal with multiple structural models, volumetric data, and crystal morphologies in the same window.
- Support multiple tabs corresponding to files.
- Support multiple windows with more than two tabs in the same process.
- Deal with virtually unlimited number of objects such as atoms, bonds polyhedra, and polygons on isosurfaces (theoretical limit on 32bit operating system is 1,073,741,823).
- Support lattice transformation from conventional to non-conventional lattice by using matrix. The transformation matrix is also used to create superlattice and sublattice.
etc.
http://www.geocities.jp/kmo_mma/crystal/en/vesta.html
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XtalDraw
XtalDraw is interactive Windows-based software that draws crystal and molecular structures as ball and stick, polyhedral, and thermal ellipsoid representations. It comes with a large set of datafiles. Not only does it read the XtalDraw datafiles, but it can also read the American Mineralogist Crystal Structure DataBase datafiles.
http://www.geo.arizona.edu/xtal/group/software.htm
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