PySDM-examples 2.129__tar.gz → 2.130__tar.gz

{pysdm_examples-2.129 → pysdm_examples-2.130}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pysdm-examples
-Version: 2.129
+Version: 2.130
 Summary: PySDM usage examples reproducing results from literature and depicting how to use PySDM from Python Jupyter notebooks
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors
@@ -128,6 +128,8 @@ Example notebooks include:
 - condensation and aqueous-chemistry
   - <a href="https://open-atmos.github.io/PySDM/PySDM_examples/Kreidenweis_et_al_2003.html">Kreidenweis_et_al_2003</a>: <mark>Hoppel gap</mark> simulation setup (i.e. depiction of evolution of aerosol mass spectrum from a monomodal to bimodal due to aqueous‐phase SO2 oxidation)
   - <a href="https://open-atmos.github.io/PySDM/PySDM_examples/Jaruga_and_Pawlowska_2018.html">Jaruga_and_Pawlowska_2018</a>: exploration of numerical convergence using the above Hoppel-gap simulation setup
+- freezing
+  - <a href="https://open-atmos.github.io/PySDM/PySDM_examples/Spichtinger_et_al_2023.html">Spichtinger_et_al_2023</a>: <mark>homogeneous freezing</mark> and ice growth (<mark>Wegener-Bergeron-Findeisen process</mark>)
 
 The parcel environment is also featured in the <a href="https://open-atmos.github.io/PySDM/PySDM.html#tutorials">PySDM tutorials</a>.
 

pysdm_examples-2.130/PySDM_examples/Spichtinger_et_al_2023/__init__.py

@@ -0,0 +1,7 @@
+# pylint: disable=invalid-name
+"""
+homogeneous nucleation event example based on Fig. B1. in
+[Spichtinger et al. 2023](https://doi.org/10.5194/acp-23-2035-2023)
+"""
+from .simulation import Simulation
+from .settings import Settings

pysdm_examples-2.130/PySDM_examples/Spichtinger_et_al_2023/data/reference_bulk.py

@@ -0,0 +1,47 @@
+"""
+reference results for bulk scheme in Fig B1. in
+[Spichtinger et al. 2023](https://doi.org/10.5194/acp-23-2035-2023)
+"""
+
+import numpy as np
+
+
+def bulk_model_reference_array():
+
+    initial_temperatures = np.array([196.0, 216.0, 236.0])
+    updrafts = np.array([0.05, 0.1, 0.3, 0.5, 1.0, 3.0, 5.0, 10.0])
+
+    dim_size = (np.shape(initial_temperatures)[0], np.shape(updrafts)[0])
+    ni_bulk_ref = np.zeros(dim_size)
+
+    # T = 196
+    ni_bulk_ref[0, 0] = 643686.1316903427
+    ni_bulk_ref[0, 1] = 2368481.0609527444
+    ni_bulk_ref[0, 2] = 20160966.984670535
+    ni_bulk_ref[0, 3] = 49475281.81718969
+    ni_bulk_ref[0, 4] = 131080662.23620115
+    ni_bulk_ref[0, 5] = 401046528.70428866
+    ni_bulk_ref[0, 6] = 627442148.3402529
+    ni_bulk_ref[0, 7] = 1151707310.2210448
+
+    # T = 216
+    ni_bulk_ref[1, 0] = 60955.84292640147
+    ni_bulk_ref[1, 1] = 189002.0792186534
+    ni_bulk_ref[1, 2] = 1200751.6897658105
+    ni_bulk_ref[1, 3] = 2942110.815055958
+    ni_bulk_ref[1, 4] = 10475282.894692907
+    ni_bulk_ref[1, 5] = 90871045.40856971
+    ni_bulk_ref[1, 6] = 252175505.460412
+    ni_bulk_ref[1, 7] = 860335156.4717773
+
+    # T = 236
+    ni_bulk_ref[2, 0] = 13049.108886452004
+    ni_bulk_ref[2, 1] = 40422.244759544985
+    ni_bulk_ref[2, 2] = 237862.49854786208
+    ni_bulk_ref[2, 3] = 545315.7805748513
+    ni_bulk_ref[2, 4] = 1707801.469906006
+    ni_bulk_ref[2, 5] = 11128055.66932415
+    ni_bulk_ref[2, 6] = 27739585.111447476
+    ni_bulk_ref[2, 7] = 101799566.47225031
+
+    return initial_temperatures, updrafts, ni_bulk_ref

pysdm_examples-2.130/PySDM_examples/Spichtinger_et_al_2023/data/simulation_data.py

@@ -0,0 +1,22 @@
+import numpy as np
+
+
+def saved_simulation_ensemble_mean():
+
+    ni_ens_mean = np.array(
+        [
+            [0.00000000e00, 0.00000000e00, 0.00000000e00],
+            [0.00000000e00, 0.00000000e00, 0.00000000e00],
+            [1.62069821e03, 0.00000000e00, 0.00000000e00],
+            [5.25377025e06, 9.75512904e05, 4.51431097e05],
+            [3.67137290e07, 5.45240337e06, 1.53884530e06],
+            [7.96514420e07, 1.13878118e07, 3.26386880e06],
+            [2.19385480e08, 3.62240242e07, 9.00657591e06],
+            [1.00631095e09, 2.34443408e08, 4.90577208e07],
+            [1.73457062e09, 5.20774276e08, 1.16040316e08],
+        ]
+    )
+    T = np.array([196.0, 216.0, 236.0])
+    w = np.array([0.01, 0.03, 0.05, 0.1, 0.3, 0.5, 1.0, 3.0, 5.0])
+
+    return T, w, ni_ens_mean

pysdm_examples-2.130/PySDM_examples/Spichtinger_et_al_2023/settings.py

@@ -0,0 +1,66 @@
+from pystrict import strict
+
+from PySDM import Formulae
+from PySDM.physics.constants import si
+from PySDM.initialisation.spectra import Lognormal
+from PySDM.initialisation.sampling import spectral_sampling
+
+
+@strict
+class Settings:
+    def __init__(
+        self,
+        *,
+        n_sd: int,
+        w_updraft: float,
+        T0: float,
+        seed: int,
+        dt: float,
+    ):
+
+        self.n_sd = n_sd
+        self.w_updraft = w_updraft
+
+        self.N_dv_solution_droplet = 2500 / si.centimetre**3
+        self.r_mean_solution_droplet = 0.055 * si.micrometre
+        self.sigma_solution_droplet = 1.6
+
+        self.mass_of_dry_air = 1000 * si.kilogram
+        self.initial_pressure = 200 * si.hectopascals
+        self.initial_ice_supersaturation = 1.0
+        self.kappa = 0.64
+        self.initial_temperature = T0
+
+        self.formulae = Formulae(
+            particle_shape_and_density="MixedPhaseSpheres",
+            homogeneous_ice_nucleation_rate="Koop_Correction",
+            seed=seed,
+        )
+        const = self.formulae.constants
+        pvs_i = self.formulae.saturation_vapour_pressure.pvs_ice(
+            self.initial_temperature
+        )
+        self.initial_water_vapour_mixing_ratio = const.eps / (
+            self.initial_pressure / self.initial_ice_supersaturation / pvs_i - 1
+        )
+        dry_air_density = (
+            self.formulae.trivia.p_d(
+                self.initial_pressure, self.initial_water_vapour_mixing_ratio
+            )
+            / self.initial_temperature
+            / const.Rd
+        )
+
+        spectrum = Lognormal(
+            norm_factor=self.N_dv_solution_droplet / dry_air_density,
+            m_mode=self.r_mean_solution_droplet,
+            s_geom=self.sigma_solution_droplet,
+        )
+
+        self.r_dry, self.specific_concentration = spectral_sampling.Linear(
+            spectrum
+        ).sample(n_sd)
+
+        self.t_duration = 7200
+        self.dt = dt
+        self.n_output = int(self.t_duration / 100)

pysdm_examples-2.130/PySDM_examples/Spichtinger_et_al_2023/simulation.py

@@ -0,0 +1,121 @@
+import numpy as np
+
+from PySDM_examples.utils import BasicSimulation
+
+import PySDM.products as PySDM_products
+from PySDM.backends import CPU
+from PySDM.builder import Builder
+from PySDM.dynamics import (
+    AmbientThermodynamics,
+    Condensation,
+    Freezing,
+    VapourDepositionOnIce,
+)
+from PySDM.environments import Parcel
+from PySDM.initialisation import discretise_multiplicities, equilibrate_wet_radii
+
+
+class Simulation(BasicSimulation):
+    def __init__(self, settings, backend=CPU):
+
+        dt = settings.dt
+
+        formulae = settings.formulae
+
+        env = Parcel(
+            mixed_phase=True,
+            dt=dt,
+            mass_of_dry_air=settings.mass_of_dry_air,
+            p0=settings.initial_pressure,
+            initial_water_vapour_mixing_ratio=settings.initial_water_vapour_mixing_ratio,
+            T0=settings.initial_temperature,
+            w=settings.w_updraft,
+        )
+
+        builder = Builder(
+            backend=backend(
+                formulae=settings.formulae,
+                **(
+                    {"override_jit_flags": {"parallel": False}}
+                    if backend == CPU
+                    else {}
+                ),
+            ),
+            n_sd=settings.n_sd,
+            environment=env,
+        )
+
+        builder.add_dynamic(AmbientThermodynamics())
+        builder.add_dynamic(Condensation())
+        builder.add_dynamic(VapourDepositionOnIce())
+        builder.add_dynamic(
+            Freezing(
+                singular=False, homogeneous_freezing=True, immersion_freezing=False
+            )
+        )
+
+        self.n_sd = settings.n_sd
+        self.multiplicities = discretise_multiplicities(
+            settings.specific_concentration * env.mass_of_dry_air
+        )
+        self.r_dry = settings.r_dry
+        v_dry = settings.formulae.trivia.volume(radius=self.r_dry)
+        kappa = settings.kappa
+
+        self.r_wet = equilibrate_wet_radii(
+            r_dry=self.r_dry,
+            environment=builder.particulator.environment,
+            kappa_times_dry_volume=kappa * v_dry,
+        )
+
+        attributes = {
+            "multiplicity": self.multiplicities,
+            "dry volume": v_dry,
+            "kappa times dry volume": kappa * v_dry,
+            "signed water mass": formulae.particle_shape_and_density.radius_to_mass(
+                self.r_wet
+            ),
+        }
+
+        products = [
+            PySDM_products.Time(name="t"),
+            PySDM_products.AmbientRelativeHumidity(name="RH_ice", unit="%"),
+            PySDM_products.ParticleConcentration(
+                name="n_i", unit="1/m**3", radius_range=(-np.inf, 0)
+            ),
+        ]
+
+        self.n_output = settings.n_output
+        self.n_substeps = int(settings.t_duration / dt / self.n_output)
+        super().__init__(builder.build(attributes, products))
+
+    def save(self, output):
+        cell_id = 0
+        output["t"].append(self.particulator.products["t"].get())
+        output["ni"].append(self.particulator.products["n_i"].get()[cell_id])
+        output["RHi"].append(self.particulator.products["RH_ice"].get()[cell_id])
+
+    def run(self):
+        output = {
+            "t": [],
+            "ni": [],
+            "RHi": [],
+        }
+
+        self.save(output)
+
+        RHi_old = self.particulator.products["RH_ice"].get()[0].copy()
+        for _ in range(self.n_output):
+
+            self.particulator.run(self.n_substeps)
+
+            self.save(output)
+
+            RHi = self.particulator.products["RH_ice"].get()[0].copy()
+            dRHi = (RHi_old - RHi) / RHi_old
+            if dRHi > 0.0 and RHi < 130.0:
+                print("break")
+                break
+            RHi_old = RHi
+
+        return output["ni"][-1]

{pysdm_examples-2.129 → pysdm_examples-2.130}/docs/pysdm_examples_landing.md

@@ -92,6 +92,8 @@ Example notebooks include:
 - condensation and aqueous-chemistry
   - `PySDM_examples.Kreidenweis_et_al_2003`: <mark>Hoppel gap</mark> simulation setup (i.e. depiction of evolution of aerosol mass spectrum from a monomodal to bimodal due to aqueous‐phase SO2 oxidation)
   - `PySDM_examples.Jaruga_and_Pawlowska_2018`: exploration of numerical convergence using the above Hoppel-gap simulation setup
+- freezing
+  - `PySDM_examples.Spichtinger_et_al_2023`: <mark>homogeneous freezing</mark> and ice growth (<mark>Wegener-Bergeron-Findeisen process</mark>)
 
 The parcel environment is also featured in the <a href="https://open-atmos.github.io/PySDM/PySDM.html#tutorials">PySDM tutorials</a>.
 

{pysdm_examples-2.129 → pysdm_examples-2.130}/pysdm_examples.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pysdm-examples
-Version: 2.129
+Version: 2.130
 Summary: PySDM usage examples reproducing results from literature and depicting how to use PySDM from Python Jupyter notebooks
 Home-page: https://github.com/open-atmos/PySDM
 Author: https://github.com/open-atmos/PySDM/graphs/contributors
@@ -128,6 +128,8 @@ Example notebooks include:
 - condensation and aqueous-chemistry
   - <a href="https://open-atmos.github.io/PySDM/PySDM_examples/Kreidenweis_et_al_2003.html">Kreidenweis_et_al_2003</a>: <mark>Hoppel gap</mark> simulation setup (i.e. depiction of evolution of aerosol mass spectrum from a monomodal to bimodal due to aqueous‐phase SO2 oxidation)
   - <a href="https://open-atmos.github.io/PySDM/PySDM_examples/Jaruga_and_Pawlowska_2018.html">Jaruga_and_Pawlowska_2018</a>: exploration of numerical convergence using the above Hoppel-gap simulation setup
+- freezing
+  - <a href="https://open-atmos.github.io/PySDM/PySDM_examples/Spichtinger_et_al_2023.html">Spichtinger_et_al_2023</a>: <mark>homogeneous freezing</mark> and ice growth (<mark>Wegener-Bergeron-Findeisen process</mark>)
 
 The parcel environment is also featured in the <a href="https://open-atmos.github.io/PySDM/PySDM.html#tutorials">PySDM tutorials</a>.
 

{pysdm_examples-2.129 → pysdm_examples-2.130}/pysdm_examples.egg-info/SOURCES.txt

@@ -115,6 +115,12 @@ PySDM_examples/Shipway_and_Hill_2012/settings.py
 PySDM_examples/Shipway_and_Hill_2012/simulation.py
 PySDM_examples/Singer_Ward/__init__.py
 PySDM_examples/Singer_Ward/aerosol.py
+PySDM_examples/Spichtinger_et_al_2023/__init__.py
+PySDM_examples/Spichtinger_et_al_2023/settings.py
+PySDM_examples/Spichtinger_et_al_2023/simulation.py
+PySDM_examples/Spichtinger_et_al_2023/data/__init__.py
+PySDM_examples/Spichtinger_et_al_2023/data/reference_bulk.py
+PySDM_examples/Spichtinger_et_al_2023/data/simulation_data.py
 PySDM_examples/Srivastava_1982/__init__.py
 PySDM_examples/Srivastava_1982/equations.py
 PySDM_examples/Srivastava_1982/example.py