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Precompute A^-1/n and A^-n in DislocationCreep and DiffusionCreep #207

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Precompute A^-1/n and A^-n in DislocationCreep and DiffusionCreep #207

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9b6284b
precompute A^-1/n and A^-n
albert-de-montserrat Jul 13, 2024
e149464
bugs
albert-de-montserrat Jul 13, 2024
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24 changes: 13 additions & 11 deletions src/CreepLaw/DiffusionCreep.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -47,7 +47,7 @@ julia> x2 = DiffusionCreep(Name="test")
DiffusionCreep: Name = test, n=1.0, r=0.0, p=-3.0, A=1.5 m³·⁰ MPa⁻¹·⁰ s⁻¹·⁰, E=500.0 kJ mol⁻¹·⁰, V=2.4e-5 m³·⁰ mol⁻¹·⁰, FT=1.7320508075688772, FE=1.1547005383792517)
```
"""
struct DiffusionCreep{T,U1,U2,U3,U4,U5} <: AbstractCreepLaw{T}
struct DiffusionCreep{T,U1,U2,U3,U4,U5,U6} <: AbstractCreepLaw{T}
Name::Ptr{UInt8}
n::GeoUnit{T,U1} # powerlaw exponent
r::GeoUnit{T,U1} # exponent of water-fugacity
Expand All @@ -56,6 +56,7 @@ struct DiffusionCreep{T,U1,U2,U3,U4,U5} <: AbstractCreepLaw{T}
E::GeoUnit{T,U3} # activation energy
V::GeoUnit{T,U4} # activation volume
R::GeoUnit{T,U5} # universal gas constant
A_to_minus_n::GeoUnit{T,U6} # universal gas constant
Apparatus::Int8 # type of experimental apparatus, either AxialCompression, SimpleShear or Invariant
FT::T # type of experimental apparatus, either AxialCompression, SimpleShear or Invariant
FE::T # type of experimental apparatus, either AxialCompression, SimpleShear or Invariant
Expand All @@ -71,7 +72,6 @@ struct DiffusionCreep{T,U1,U2,U3,U4,U5} <: AbstractCreepLaw{T}
R=8.3145J / mol / K,
Apparatus=AxialCompression,
)

# Corrections from lab experiments
FT, FE = CorrectionFactor(Apparatus)
# Convert to GeoUnits
Expand All @@ -82,23 +82,26 @@ struct DiffusionCreep{T,U1,U2,U3,U4,U5} <: AbstractCreepLaw{T}
EU = convert(GeoUnit, E)
VU = convert(GeoUnit, V)
RU = convert(GeoUnit, R)
u = (Pa^(-nU.val - r) / s * m^(-pU.val)) ^ (-nU.val)
A_to_minus_n = convert(GeoUnit, (AU.val^(-nU.val)) * u)
# Extract struct types
T = typeof(rU).types[1]
T = typeof(rU).types[1]
U1 = typeof(rU).types[2]
U2 = typeof(AU).types[2]
U3 = typeof(EU).types[2]
U4 = typeof(VU).types[2]
U5 = typeof(RU).types[2]
U6 = typeof(A_to_minus_n).types[2]
name = pointer(ptr2string(Name))
# Create struct
return new{T,U1,U2,U3,U4,U5}(
name, nU, rU, pU, AU, EU, VU, RU, Int8(Apparatus), FT, FE
return new{T,U1,U2,U3,U4,U5,U6}(
name, nU, rU, pU, AU, EU, VU, RU, A_to_minus_n, Int8(Apparatus), FT, FE
)
end

end

function DiffusionCreep(Name, n, r, p, A, E, V, R, Apparatus, FT, FE)
function DiffusionCreep(Name, n, r, p, A, E, V, R, A_to_minus_nU, Apparatus, FT, FE)
return DiffusionCreep(;
Name=Name, n=n, r=r, p=p, A=A, E=E, V=V, R=R, Apparatus=Apparatus
)
Expand Down Expand Up @@ -255,12 +258,11 @@ end
@inline function compute_τII(
a::DiffusionCreep, EpsII::Quantity; T=1K, P=0Pa, f=1NoUnits, d=1m, kwargs...
)
@unpack_units n, r, p, A, E, V, R = a
@unpack_units n, r, p, A, E, V, R, A_to_minus_n = a
FT, FE = a.FT, a.FE

n_inv = inv(n)

τ = @pow A^(-n_inv) *
τ = @pow A_to_minus_n *
EpsII *
FE *
f^(-r * n_inv) *
Expand Down Expand Up @@ -296,14 +298,14 @@ end
d=one(precision(a)),
kwargs...,
)
@unpack_val n, r, p, A, E, V, R = a
@unpack_val n, r, p, A, E, V, R, A_to_minus_n = a
FT, FE = a.FT, a.FE

n_inv = inv(n)

return @pow (
FE *
A^(-n_inv) *
A_to_minus_n*
f^(-r * n_inv) *
d^(-p * n_inv) *
(EpsII * FE)^(n_inv - 1) *
Expand Down
33 changes: 18 additions & 15 deletions src/CreepLaw/DislocationCreep.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -41,14 +41,15 @@
DislocationCreep: n=3, r=0.0, A=1.5 MPa^-3 s^-1, E=476.0 kJ mol^-1, V=6.0e-6 m^3 mol^-1, Apparatus=AxialCompression
```
"""
struct DislocationCreep{T,U1,U2,U3,U4,U5} <: AbstractCreepLaw{T}
struct DislocationCreep{T,U1,U2,U3,U4,U5,U6} <: AbstractCreepLaw{T}
Name::Ptr{UInt8}
n::GeoUnit{T,U1} # power-law exponent
r::GeoUnit{T,U1} # exponent of water-fugacity
A::GeoUnit{T,U2} # material specific rheological parameter
E::GeoUnit{T,U3} # activation energy
V::GeoUnit{T,U4} # activation volume
R::GeoUnit{T,U5} # universal gas constant
A_to_minus_n::GeoUnit{T,U6} # universal gas constant
Apparatus::Int8 # type of experimental apparatus, either AxialCompression, SimpleShear or Invariant
FT::T # type of experimental apparatus, either AxialCompression, SimpleShear or Invariant
FE::T # type of experimental apparatus, either AxialCompression, SimpleShear or Invariant
Expand All @@ -72,21 +73,24 @@
EU = convert(GeoUnit, E)
VU = convert(GeoUnit, V)
RU = convert(GeoUnit, R)
u = (Pa^(-nU.val) / s) ^ (-1/nU.val)
A_to_minus_n = convert(GeoUnit, (AU.val^(-1/nU.val)) * u)
# Extract struct types
T = typeof(nU).types[1]
T = typeof(nU).types[1]
U1 = typeof(nU).types[2]
U2 = typeof(AU).types[2]
U3 = typeof(EU).types[2]
U4 = typeof(VU).types[2]
U5 = typeof(RU).types[2]
U6 = typeof(A_to_minus_n).types[2]
name = pointer(ptr2string(Name))
# Create struct
return new{T,U1,U2,U3,U4,U5}(
name, nU, rU, AU, EU, VU, RU, Int8(Apparatus), FT, FE
return new{T,U1,U2,U3,U4,U5,U6}(
name, nU, rU, AU, EU, VU, RU, A_to_minus_n, Int8(Apparatus), FT, FE
)
end

function DislocationCreep(Name, n, r, A, E, V, R, Apparatus, FT, FE)
function DislocationCreep(Name, n, r, A, E, V, R, A_to_minus_nU, Apparatus, FT, FE)
return DislocationCreep(;
Name=Name, n=n, r=r, A=A, E=E, V=V, R=R, Apparatus=Apparatus
)
Expand Down Expand Up @@ -201,27 +205,27 @@
args...,
)
n, r, A, E, V, R = if EpsII isa Quantity
@unpack_units n, r, A, E, V, R = a
@unpack_units n, r, A, E, V, R, A_to_minus_n = a

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n, r, A, E, V, R
else
@unpack_val n, r, A, E, V, R = a
@unpack_val n, r, A, E, V, R, A_to_minus_n = a
n, r, A, E, V, R
end

FT, FE = a.FT, a.FE
_n = inv(n)

return @pow A^-_n * (EpsII * FE)^_n * f^(-r * _n) * exp((E + P * V) / (n * R * T)) / FT
return @pow A_to_minus_n * (EpsII * FE)^_n * f^(-r * _n) * exp((E + P * V) / (n * R * T)) / FT
end

@inline function compute_τII(
a::DislocationCreep, EpsII::Quantity; P=0Pa, T=1K, f=1NoUnits, args...
)
@unpack_units n, r, A, E, V, R = a
@unpack_units n, r, A, E, V, R, A_to_minus_n = a
FT, FE = a.FT, a.FE
_n = inv(n)

return @pow A^-_n * f^(-r * _n) * (EpsII * FE)^_n * exp((E + P * V) / (n * R * T)) / FT
return @pow A_to_minus_n * f^(-r * _n) * (EpsII * FE)^_n * exp((E + P * V) / (n * R * T)) / FT
end

"""
Expand Down Expand Up @@ -256,25 +260,24 @@
f=one(precision(a)),
args...,
)
@unpack_val n, r, A, E, V, R = a
@unpack_val n, r, A, E, V, R, A_to_minus_n = a
FT, FE = a.FT, a.FE
_n = inv(n)


return @pow (
FE * A^-_n * f^(-r * _n) * (EpsII * FE)^(_n - 1) * exp((E + P * V) / (R * T * n))
FE * A_to_minus_n * f^(-r * _n) * (EpsII * FE)^(_n - 1) * exp((E + P * V) / (R * T * n))
) / (FT * n)
end

@inline function dτII_dεII(
a::DislocationCreep, EpsII::Quantity; P=0Pa, T=1K, f=1NoUnits, args...
)
@unpack_units n, r, A, E, V, R = a
@unpack_units n, r, A, E, V, R, A_to_minus_n = a

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FT, FE = a.FT, a.FE
_n = inv(n)

return @pow (
FE * A^-_n * f^(-r * _n) * (EpsII * FE)^(_n - 1) * exp((E + P * V) / (R * T * n))
FE * A_to_minus_n * f^(-r * _n) * (EpsII * FE)^(_n - 1) * exp((E + P * V) / (R * T * n))
) / (FT * n)
end

Expand Down
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