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/thermal_conductivity_running_integral
Definition name: thermal_conductivity_running_integral
Property name: Thermal conductivity running integral
Description: Green-Kubo running integral of the heat-current 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:
thermal_conductivity_tensors (W m^-1 K^-1) is kappa_ij(tau) = (1/(V kB T^2)) integral from 0 to tau of dim_spatial axes (Cartesian x, y, z) giving the tensor components; the tensor is not symmetrized.A null value means the quantity is not available or not recorded.
Examples:
JSON definition:
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"description": "A unit of thermodynamic temperature using the current, or one of the historical, definitions of the SI units.\n\nThe current definition at the 26th CGPM Meeting in 2018, resolution 1 is: \"The kelvin, symbol K, is the SI unit of thermodynamic temperature. It is defined by taking the fixed numerical value of the Boltzmann constant k to be 1.380649\u00d710\u207b\u00b2\u00b3 when expressed in the unit J\u22c5K\u207b\u00b9, which is equal to kg\u22c5m\u00b2\u22c5s\u207b\u00b2\u22c5K\u207b\u00b9, where the kilogram, metre and second are defined in terms of \\(h\\), \\(c\\) and \\(\\Delta \\nu_\\textrm{Cs}\\).\" [26th CGPM Meeting (2018), resolution 1].\n\nThe prior definition at the 13th CGPM Meeting in 1967, resolution 4, was: \"The kelvin, unit of thermodynamic temperature, is the fraction 1/273.16 of the thermodynamic temperature of the triple point of water.\"\nThis definition changed the symbol and rephrased the definition of the unit \"degree Kelvin\" from the 10th CGPM meeting in 1954: \"The 10th Conf\u00e9rence G\u00e9n\u00e9rale des Poids et Mesures decides to define the thermodynamic temperature scale by choosing the triple point of water as the fundamental fixed point, and assigning to it the temperature 273.16 degrees Kelvin, exactly.\"\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.",
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"description": "A unit for power and radiant flux equal to kg\u00b7m\u00b2\u00b7s\u207b\u00b3 using the current, or one of the historical, definitions of the SI units.\n\n\"The watt is the power that produces one joule per second.\" [9th CGPM meeting in 1946]\n\nThe watt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1; the metre at the 17th CGPM meeting (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.",
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{
"relation": "Definition at the 11th CGPM meeting (1960), resolution 6.",
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},
{
"relation": "Wikipedia article describing the unit",
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],
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},
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"title": "second",
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"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.",
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"relation": "Wikipedia article describing the unit",
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"required": [
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"description": "Green-Kubo running integral of the heat-current 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- `thermal_conductivity_tensors` (W m^-1 K^-1) is kappa_ij(tau) = (1/(V kB T^2)) integral from 0 to tau of <J_i(0) J_j(t)> dt, with J the extensive heat current. Each tensor member has the shared lag dimension first, followed by two `dim_spatial` axes (Cartesian x, y, z) giving the tensor components; the tensor is not symmetrized.\n\nA null value means the quantity is not available or not recorded.",
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}