httk property definitionsProperty definitions using the OPTIMADE property definition format, hosted by httk
This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.httk.org/defs/v0.1/properties/transport/shear_viscosity_running_integral
Definition name: shear_viscosity_running_integral
Property name: Shear viscosity running integral
Description: Green-Kubo running integral of the shear stress autocorrelation, as a function of upper integration limit.
Type: dictionary
Implementation requirements:
- Support: OPTIONAL support in implementations, i.e., MAY be null.
All lists of the dictionary share the dimension _httk_dim_lags; lag_times gives the lag time of each entry.
Requirements/Conventions:
shear_viscosities (Pa s) has the lag dimension first, then the dimension _httk_dim_shear_components of size 3 with components in the order xy, xz, yz.A null value means the quantity is not available or not recorded.
Examples:
JSON definition:
{
"$id": "https://schemas.httk.org/defs/v0.1/properties/transport/shear_viscosity_running_integral",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "Shear viscosity running integral",
"x-optimade-type": "dictionary",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "shear_viscosity_running_integral",
"label": "shear_viscosity_running_integral_transport_httk"
},
"x-optimade-unit": "inapplicable",
"x-optimade-unit-definitions": [
{
"$id": "https://schemas.optimade.org/defs/v1.2/units/si/general/pascal",
"title": "pascal",
"symbol": "Pa",
"display-symbol": "Pa",
"description": "A unit for pressure and stress equal to kg\u00b7m\u207b\u00b9\u00b7s\u207b\u00b2 using the current, or one of the historical, definitions of the SI units.\n\n\"The International Committee will ask the General Conference to approve two special names: pascal (symbol Pa) for the SI unit of pressure (N/m\u00b2), [...]\" [14th CGPM Meeting (1971)].\n\nThe pascal was defined at the 14th CGPM Meeting in 1971 and implicitly redefined via the redefinitions of the metre at the 17th CGPM Meeting in 1983, resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1.\n\nThis is a generalized definition taken to reference the current, or one of the historical, SI unit definitions.\nThis definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions.",
"compatibility": [
"https://schemas.optimade.org/defs/v1.2/units/si/1971/named/pascal",
"https://schemas.optimade.org/defs/v1.2/units/si/1983/named/pascal",
"https://schemas.optimade.org/defs/v1.2/units/si/2019/named/pascal"
],
"resources": [
{
"relation": "Definition at the 14th CGPM Meeting (1971)",
"resource-id": "https://www.bipm.org/en/committees/cg/cgpm/14-1971"
},
{
"relation": "Wikipedia article describing the unit",
"resource-id": "https://en.wikipedia.org/wiki/Pascal_(unit)"
},
{
"relation": "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1",
"resource-id": "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1"
},
{
"relation": "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1",
"resource-id": "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1"
}
],
"defining-relation": {
"base-units": [
{
"symbol": "kg",
"id": "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram"
},
{
"symbol": "m",
"id": "https://schemas.optimade.org/defs/v1.2/units/si/general/metre"
},
{
"symbol": "s",
"id": "https://schemas.optimade.org/defs/v1.2/units/si/general/second"
}
],
"base-units-expression": "kg*m^-1*s^-2"
},
"x-optimade-definition": {
"label": "pascal_si_general",
"kind": "unit",
"format": "1.2",
"version": "1.2.0",
"name": "pascal"
}
},
{
"$id": "https://schemas.optimade.org/defs/v1.2/prefixes/si/pico",
"title": "pico",
"symbol": "p",
"display-symbol": "p",
"description": "The pico SI prefix defined as a dimensionless multiple of 10\u207b\u00b9\u00b2, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12.",
"resources": [
{
"relation": "Definition in the 11th CGPM Meeting in 1960, resolution 12",
"resource-id": "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12"
},
{
"relation": "Wikipedia article describing the SI prefixes",
"resource-id": "https://en.wikipedia.org/wiki/Metric_prefix"
}
],
"defining-relation": {
"base-units": [],
"base-units-expression": "",
"scale": {
"exponent": -12
}
},
"x-optimade-definition": {
"label": "pico_prefix_si",
"kind": "prefix",
"format": "1.2",
"version": "1.2.0",
"name": "pico"
}
},
{
"$id": "https://schemas.optimade.org/defs/v1.2/units/si/general/second",
"title": "second",
"symbol": "s",
"display-symbol": "s",
"description": "A unit of time using the current, or one of the historical, definitions of the SI units.\n\nThe current definition in its most recent phrasing at the 26th CGPM Meeting in 2018, resolution 1 is: \"The second, symbol s, is the SI unit of time. It is defined by taking the fixed numerical value of the caesium frequency, \\(\\Delta \\nu_\\textrm{Cs}\\), the unperturbed ground-state hyperfine transition frequency of the caesium 133 atom, to be 9192631770 when expressed in the unit Hz, which is equal to s\u207b\u00b9.\"\n\nThis is a rephrasing of a definition at the 13th CGPM Meeting (1967), resolution 1: \"The second is the duration of 9192631770 periods of the radiation corresponding to the transition between the two hyperfine levels of the ground state of the caesium 133 atom.\"\n\nThe earlier definition at the 11th CGPM Meeting in 1960, resolution 9 was: \"The second is the fraction 1/31556925.9747 of the tropical year for 1900 January 0 at 12 hours ephemeris time.\"\n\nThis is a generalized definition taken to reference the current, or one of the historical, SI unit definitions.\nThis definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions.",
"compatibility": [
"https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second",
"https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second"
],
"resources": [
{
"relation": "Definition in the 13th CGPM Meeting (1967), resolution 1",
"resource-id": "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1"
},
{
"relation": "Rephrased definition in the 26th CGPM Meeting (2018), resolution 1",
"resource-id": "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1"
},
{
"relation": "Definition at the 11th CGPM meeting (1960), resolution 6.",
"resource-id": "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-6"
},
{
"relation": "Wikipedia article describing the unit",
"resource-id": "https://en.wikipedia.org/wiki/Second"
}
],
"x-optimade-definition": {
"label": "second_si_general",
"kind": "unit",
"format": "1.2",
"version": "1.2.0",
"name": "second"
}
}
],
"x-optimade-requirements": {
"support": "may",
"sortable": false,
"query-support": "none"
},
"type": [
"object",
"null"
],
"required": [
"lag_times",
"shear_viscosities"
],
"description": "Green-Kubo running integral of the shear stress autocorrelation, as a function of upper integration limit.\n\nAll lists of the dictionary share the dimension `_httk_dim_lags`; `lag_times` gives the lag time of each entry. \n\n**Requirements/Conventions**:\n\n- `shear_viscosities` (Pa s) has the lag dimension first, then the dimension `_httk_dim_shear_components` of size 3 with components in the order xy, xz, yz.\n- Each entry is eta_ab(tau) = V/(kB T) integral from 0 to tau of <sigma_ab(0) sigma_ab(t)> dt, with tensile-positive stress.\n\nA null value means the quantity is not available or not recorded.",
"properties": {
"lag_times": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"x-optimade-dimensions": {
"names": [
"_httk_dim_lags"
],
"sizes": [
null
]
},
"type": [
"array"
],
"items": {
"x-optimade-type": "float",
"x-optimade-unit": "ps",
"type": [
"number"
]
}
},
"shear_viscosities": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"x-optimade-dimensions": {
"names": [
"_httk_dim_lags"
],
"sizes": [
null
]
},
"type": [
"array"
],
"items": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"x-optimade-dimensions": {
"names": [
"_httk_dim_shear_components"
],
"sizes": [
3
]
},
"type": [
"array"
],
"items": {
"x-optimade-type": "float",
"x-optimade-unit": "Pa*s",
"type": [
"number"
]
}
}
}
}
}