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Commit 40b99c59 authored by Rahil Doshi's avatar Rahil Doshi
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Remove debugging code from SS316L.py for stable release, add new attributes... 

Remove debugging code from SS316L.py for stable release, add new attributes for temperature_array and energy_density_array from Alloy class and use them to compute T_star from temperature_from_energy_density_array
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src/pymatlib/data/alloys/SS316L/SS316L.py
+ 11
− 297
View file @ 40b99c59
......@@ -88,311 +88,25 @@ def create_SS316L(T: Union[float, sp.Symbol]) -> Alloy:
SS316L.heat_conductivity = interpolate_property(T, heat_conductivity_temp_array, heat_conductivity_array)
SS316L.density = interpolate_property(T, density_temp_array, density_array)
SS316L.heat_capacity = interpolate_property(T, heat_capacity_temp_array, heat_capacity_array)
SS316L.thermal_diffusivity = thermal_diffusivity_by_heat_conductivity(SS316L.heat_conductivity, SS316L.density, SS316L.heat_capacity)
SS316L.latent_heat_of_fusion = interpolate_property(T, SS316L.solidification_interval(), np.array([0.0, 260000.0]))
SS316L.energy_density = energy_density(T, SS316L.density, SS316L.heat_capacity, SS316L.latent_heat_of_fusion)
SS316L.energy_density_solidus = SS316L.energy_density.evalf(T, SS316L.temperature_solidus)
SS316L.energy_density_liquidus = SS316L.energy_density.evalf(T, SS316L.temperature_liquidus)
print("SS316L.heat_conductivity:", SS316L.heat_conductivity, "type:", type(SS316L.heat_conductivity))
print("SS316L.density:", SS316L.density, "type:", type(SS316L.density))
print("SS316L.heat_capacity:", SS316L.heat_capacity, "type:", type(SS316L.heat_capacity))
print(f"SS316L.latent_heat_of_fusion: {SS316L.latent_heat_of_fusion}")
print(f"SS316L.energy_density: {SS316L.energy_density}")
print(f"SS316L.energy_density_solidus: {SS316L.energy_density_solidus}")
print(f"SS316L.energy_density_liquidus: {SS316L.energy_density_liquidus}")
"""print("SS316L.heat_conductivity@T_sol/T_liq:", SS316L.heat_conductivity.evalf(T, SS316L.temperature_solidus), SS316L.heat_conductivity.evalf(T, SS316L.temperature_liquidus))
print("SS316L.density@T_sol/T_liq:", SS316L.density.evalf(T, SS316L.temperature_solidus), SS316L.density.evalf(T, SS316L.temperature_liquidus))
print("SS316L.heat_capacity@T_sol/T_liq:", SS316L.heat_capacity.evalf(T, SS316L.temperature_solidus), SS316L.heat_capacity.evalf(T, SS316L.temperature_liquidus))
print("SS316L.latent_heat_of_fusion@T_sol/T_liq:", SS316L.latent_heat_of_fusion.evalf(T, SS316L.temperature_solidus), SS316L.latent_heat_of_fusion.evalf(T, SS316L.temperature_liquidus))
print("SS316L.energy_density@T_sol/T_liq:", SS316L.energy_density.evalf(T, SS316L.temperature_solidus), SS316L.energy_density.evalf(T, SS316L.temperature_liquidus))"""
"""c_p = []
density_temp_array = np.array(density_temp_array)
for temp in density_temp_array:
cp = SS316L.heat_capacity.evalf(T, temp)
c_p.append(cp)
c_p_array = np.array(c_p)
print(c_p_array)"""
energy_density_array = []
for temp in density_temp_array:
ed = SS316L.energy_density.evalf(T, temp)
energy_density_array.append(ed)
energy_density_array = np.array(energy_density_array)
# print(f"temperature_array:\n{density_temp_array}")
# print(f"energy_density_array:\n{energy_density_array}")
# Create the plot
"""plt.figure(figsize=(10, 6))
plt.plot(density_temp_array, energy_density_array, 'b-', linewidth=1)
plt.xlabel('Temperature (K)')
plt.ylabel('Energy Density (J/m³)')
plt.title('Energy Density vs Temperature')
plt.grid(True)
# Save the plot
plt.savefig('energy_density_vs_temperature.png', dpi=300, bbox_inches='tight')
plt.show()"""
print("----------" * 10)
args = (T,
density_temp_array,
# SS316L.energy_density_solidus, # 9744933767.272629
# SS316L.energy_density_liquidus, # 11789781961.769783
# SS316L.energy_density.evalf(T, SS316L.temperature_liquidus), # T_star: 1743.1412643772671, expected T_star: 1723.15
# 10062147268.397945,
1.01e10,
SS316L.energy_density)
# energy density has the same value for both temperatures >> function is not monotonically increasing
print(SS316L.energy_density.evalf(T, 1723.15)) # 11789781961.769783
print(SS316L.energy_density.evalf(T, 1743.1412643772671)) # 11789781961.769783
args1 = (T,
density_temp_array,
SS316L.heat_capacity.evalf(T, SS316L.temperature_liquidus),
SS316L.heat_capacity)
start_time = time.time()
T_star_1 = temperature_from_energy_density(*args)
time_1 = time.time() - start_time
print(f"T_star: {T_star_1}")
print(f"Execution time: {time_1:.6f} seconds\n")
args2 = (density_temp_array,
# 10062147268.397945,
1.01e10,
energy_density_array)
start_time = time.time()
T_star_2 = temperature_from_energy_density_array(*args2)
time_2 = time.time() - start_time
print(f"T_star_2: {T_star_2}")
print(f"Execution time: {time_2:.6f} seconds\n")
results = []
execution_times = []
for h_in in energy_density_array:
args = (T, density_temp_array, h_in, SS316L.energy_density)
args_array = (density_temp_array, h_in, energy_density_array)
start_time = time.time()
T_star = temperature_from_energy_density_array(*args_array)
execution_time = time.time() - start_time
results.append(T_star)
execution_times.append(execution_time)
"""print(f"Heat Capacity: {h_in}")
print(f"T_star: {T_star}")
print(f"Execution time: {execution_time:.6f} seconds\n")"""
print("Summary:")
print(f"Total execution time: {sum(execution_times):.8f} seconds")
print(f"Average execution time: {sum(execution_times)/len(execution_times):.8f} seconds\n")
# Function to measure performance
def measure_performance(iterations=1000):
all_results = []
all_execution_times = []
for i in range(iterations):
results = []
execution_times = []
for h_in in energy_density_array:
args_array = (density_temp_array, h_in, energy_density_array)
# Measure execution time
start_time = time.time()
T_star = temperature_from_energy_density_array(*args_array)
execution_time = time.time() - start_time
results.append(T_star)
execution_times.append(execution_time)
# Collect results for this iteration
all_results.append(results)
all_execution_times.append(sum(execution_times))
# Performance summary
total_time = sum(all_execution_times)
average_time_per_run = total_time / iterations
print("Performance Summary:")
print(f"Total execution time (for {iterations} runs): {total_time:.8f} seconds")
print(f"Average execution time per run: {average_time_per_run:.8f} seconds")
print(f"Average execution time per iteration (array loop): {np.mean(all_execution_times) / len(energy_density_array):.8f} seconds")
# Run the performance test
measure_performance(iterations=100000)
quit()
# Populate temperature_array and energy_density_array
SS316L.temperature_array = density_temp_array
# ---------- ---------- ---------- ---------- ---------- ---------- ---------- ---------- ---------- ----------
SS316L.energy_density_array = np.array([
SS316L.energy_density.evalf(T, temp) for temp in density_temp_array
])
temp_float = 1400.0
temp_array = np.array([900.0, 1000.0, 1100.0, 1200.0, 1300.0, 1400.0, 1500.0, 1600.0, 1700.0, 1800.0, 1900.0], dtype=float)
tec_float = 1.7e-5
tec_temperature_array = np.array([973.15, 1073.15, 1173.15, 1273.15, 1373.15, 1395.68, 1415.00, 1435.00, 1455.26, 1500.00, 1550.00])
tec_array = np.array([18.0e-6, 19.0e-6, 19.5e-6, 20.0e-6, 21.0e-6, 21.8e-6, 22.0e-6, 22.3e-6, 22.5e-6, 23.5e-6, 24.0e-6])
tec = interpolate_property(T, tec_temperature_array, tec_array)
# Define the corresponding thermal expansion coefficients at these points
alpha_solidus = 17.0e-6 # 1/K at solidus
alpha_liquidus = 18.0e-6 # 1/K at liquidus
alpha_below = 15.0e-6 # 1/K below solidus
alpha_above = 19.0e-6 # 1/K above liquidus
# Fit a cubic polynomial for the thermal expansion coefficient
# Define the symbolic variable for temperature
Tmp = sp.symbols('Tmp')
# Define the coefficients for a cubic polynomial: alpha(T) = a*T^3 + b*T^2 + c*T + d
a, b, c, d = sp.symbols('a b c d')
# Create a system of equations based on the known values at solidus, liquidus, and boundary conditions
eq1 = sp.Eq(a*SS316L.temperature_solidus**3 + b*SS316L.temperature_solidus**2 + c*SS316L.temperature_solidus + d, alpha_solidus) # At solidus
eq2 = sp.Eq(a*SS316L.temperature_liquidus**3 + b*SS316L.temperature_liquidus**2 + c*SS316L.temperature_liquidus + d, alpha_liquidus) # At liquidus
eq3 = sp.Eq(a*973.15**3 + b*973.15**2 + c*973.15 + d, alpha_below) # Below solidus (starting point)
eq4 = sp.Eq(a*1550**3 + b*1550**2 + c*1550 + d, alpha_above) # Above liquidus (ending point)
# Solve the system for a, b, c, d
solution = sp.solve([eq1, eq2, eq3, eq4], (a, b, c, d))
# Substitute the solved values into the cubic expression
tec_expr = solution[a]*Tmp**3 + solution[b]*Tmp**2 + solution[c]*Tmp + solution[d]
print("tec_expr:", tec_expr, "type:", type(tec_expr))
density_float = 8000.0
density_array = density_array
# print("density_array:", density_array, "type:", type(density_array))
density_temp_array = density_temp_array
# print("density_temp_array:", density_temp_array, "type:", type(density_temp_array))
density_by_thermal_expansion_float = density_by_thermal_expansion(T, 293.0, 8000.0, tec_float)
print("density_by_thermal_expansion_float:", density_by_thermal_expansion_float, "type:", type(density_by_thermal_expansion_float))
print("expr type:", type(density_by_thermal_expansion_float.expr))
print("assignments type:", type(density_by_thermal_expansion_float.assignments))
# density_by_thermal_expansion_array = density_by_thermal_expansion(T, 293.0, 8000.0, tec_array) # testing density_by_thermal_expansion without array support for tec
# print("density_by_thermal_expansion_array:", density_by_thermal_expansion_array, "type:", type(density_by_thermal_expansion_array)) # Does not return a MaterialProperty when the input is an array
density_by_thermal_expansion_expr = density_by_thermal_expansion(T, 293.0, 8000.0, tec)
print("density_by_thermal_expansion_expr:", density_by_thermal_expansion_expr, "type:", type(density_by_thermal_expansion_expr))
print("expr type:", type(density_by_thermal_expansion_expr.expr))
print("assignments type:", type(density_by_thermal_expansion_expr.assignments[0].rhs))
tec_interpolate_float = interpolate_property(T, tec_temperature_array, tec_array)
print("tec_interpolate_float:", tec_interpolate_float, "type:", type(tec_interpolate_float))
print("expr type:", type(tec_interpolate_float.expr))
print("assignments type:", type(tec_interpolate_float.assignments[0].rhs))
heat_capacity_interpolate_1 = interpolate_property(T, heat_capacity_temp_array, heat_capacity_array)
print("heat_capacity_interpolate_1:", heat_capacity_interpolate_1, "type:", type(heat_capacity_interpolate_1.expr))
print("expr type:", type(heat_capacity_interpolate_1.expr))
print("assignments type:", type(heat_capacity_interpolate_1.assignments[0].rhs))
# Example values (all floats)
float_value = 300.15
k_arr = np.array([15.1, 15.0, 14.9, 14.8, 14.7, 14.5, 14.3, 14.2, 14.0, 13.8, 13.7], dtype=float) # W/m·K
rho_arr = np.array([7900.0, 7850.0, 7800.0, 7750.0, 7700.0, 7650.0, 7600.0, 7550.0, 7500.0, 7450.0, 7400.0], dtype=float) # kg/m³
c_p_arr = np.array([500.0, 505.0, 510.0, 515.0, 520.0, 525.0, 530.0, 535.0, 540.0, 545.0, 550.0], dtype=float) # J/kg·K
print(np.size(k_arr), np.size(rho_arr), np.size(c_p_arr))
diffusivity_1 = thermal_diffusivity_by_heat_conductivity(float_value, float_value, float_value)
print("diffusivity_1:", diffusivity_1, "type:", type(diffusivity_1))
print("expr type:", type(diffusivity_1.expr))
print("assignments type:", type(diffusivity_1.assignments))
print(f"diffusivity_1_evalf:\n{diffusivity_1.evalf(T, density_temp_array)}")
# diffusivity_2 = thermal_diffusivity_by_heat_conductivity(k_arr, rho_arr, c_p_arr)
# print("diffusivity_2:", diffusivity_2, "type:", type(diffusivity_2))
# Thermal Conductivity (W/m·K)
k_expr = sp.Piecewise(
(16.3 - (T - 300) * (1.3 / (900 - 300)), T < 900), # Starting from room temp (300K) to 900K
(15.0 - (T - 900) * (0.2 / (1000 - 900)), T < 1000),
(14.8 - (T - 1000) * (0.2 / (1100 - 1000)), (T >= 1000) & (T < 1100)),
(14.6 - (T - 1100) * (0.2 / (1200 - 1100)), (T >= 1100) & (T < 1200)),
(14.4 - (T - 1200) * (0.2 / (1300 - 1200)), (T >= 1200) & (T < 1300)),
(14.2 - (T - 1300) * (0.2 / (1400 - 1300)), (T >= 1300) & (T < 1400)),
(14.0 - (T - 1400) * (0.2 / (1500 - 1400)), (T >= 1400) & (T < 1500)),
(13.8 - (T - 1500) * (0.2 / (1600 - 1500)), (T >= 1500) & (T < 1600)),
(13.6 - (T - 1600) * (0.2 / (1700 - 1600)), (T >= 1600) & (T < 1700)),
(13.4 - (T - 1700) * (0.2 / (1800 - 1700)), (T >= 1700) & (T < 1800)),
(13.2, True) # for T >= 1800
)
# Density (kg/m³)
rho_expr = sp.Piecewise(
(8000.0 - (T - 300) * (100.0 / (900 - 300)), T < 900), # Room temp (300K) to 900K
(7900.0 - (T - 900) * (50.0 / (1000 - 900)), (T >= 900) & (T < 1000)),
(7850.0 - (T - 1000) * (50.0 / (1100 - 1000)), (T >= 1000) & (T < 1100)),
(7800.0 - (T - 1100) * (50.0 / (1200 - 1100)), (T >= 1100) & (T < 1200)),
(7750.0 - (T - 1200) * (50.0 / (1300 - 1200)), (T >= 1200) & (T < 1300)),
(7700.0 - (T - 1300) * (50.0 / (1400 - 1300)), (T >= 1300) & (T < 1400)),
(7650.0 - (T - 1400) * (50.0 / (1500 - 1400)), (T >= 1400) & (T < 1500)),
(7600.0 - (T - 1500) * (50.0 / (1600 - 1500)), (T >= 1500) & (T < 1600)),
(7550.0 - (T - 1600) * (50.0 / (1700 - 1600)), (T >= 1600) & (T < 1700)),
(7500.0 - (T - 1700) * (50.0 / (1800 - 1700)), (T >= 1700) & (T < 1800)),
(7450.0 - (T - 1800) * (50.0 / (1900 - 1800)), (T >= 1800) & (T < 1900)),
(7400.0, True) # for T >= 1900
)
# Specific Heat Capacity (J/kg·K)
c_p_expr = sp.Piecewise(
(500.0 + (T - 900) * (5.0 / (1000 - 900)), T < 1000),
(505.0 + (T - 1000) * (5.0 / (1100 - 1000)), (T >= 1000) & (T < 1100)),
(510.0 + (T - 1100) * (5.0 / (1200 - 1100)), (T >= 1100) & (T < 1200)),
(515.0 + (T - 1200) * (5.0 / (1300 - 1200)), (T >= 1200) & (T < 1300)),
(520.0 + (T - 1300) * (5.0 / (1400 - 1300)), (T >= 1300) & (T < 1400)),
(525.0 + (T - 1400) * (5.0 / (1500 - 1400)), (T >= 1400) & (T < 1500)),
(530.0 + (T - 1500) * (5.0 / (1600 - 1500)), (T >= 1500) & (T < 1600)),
(535.0 + (T - 1600) * (5.0 / (1700 - 1600)), (T >= 1600) & (T < 1700)),
(540.0 + (T - 1700) * (5.0 / (1800 - 1700)), (T >= 1700) & (T < 1800)),
(545.0 + (T - 1800) * (5.0 / (1900 - 1800)), (T >= 1800) & (T < 1900)),
(550.0, True) # for T >= 1900
)
diffusivity_3 = thermal_diffusivity_by_heat_conductivity(k_expr, rho_expr, c_p_expr)
print("diffusivity_3:", diffusivity_3, "type:", type(diffusivity_3))
print("expr type:", type(diffusivity_3.expr))
print("assignments type:", type(diffusivity_3.assignments))
print(f"diffusivity_3_evalf:\n{diffusivity_3.evalf(T, density_temp_array)}")
diffusivity_4 = interpolate_property(T, SS316L.solidification_interval(), (4.81e-6, 4.66e-6))
print("diffusivity_4:", diffusivity_4, "type:", type(diffusivity_4))
print("expr type:", type(diffusivity_4.expr))
print("assignments type:", type(diffusivity_4.assignments[0].rhs))
print(f"diffusivity_4_evalf:\n{diffusivity_4.evalf(T, density_temp_array)}")
density_1 = density_by_thermal_expansion(123.4, 293.0, 8000.0, 0.001)
print("density_1:", density_1)
T_dbte = sp.Symbol('T_dbte')
print(f"density_1.evalf:\n{density_1.evalf(T, density_temp_array)}")
# SS316L.thermal_diffusivity = diffusivity_1
# Perform interpolation for each property
print('density')
# SS316L.density = interpolate_property(T, density_temp_array, density_array)
print('SS316L.density: ', SS316L.density)
print('heat_capacity')
# SS316L.heat_capacity = interpolate_property(T, heat_capacity_temp_array, heat_capacity_array)
print('heat_conductivity')
# SS316L.heat_conductivity = interpolate_property(T, heat_conductivity_temp_array, heat_conductivity_array)
# Calculate thermal diffusivity from thermal conductivity, density, and heat capacity
print('thermal_diffusivity')
# print("SS316L.heat_conductivity.evalf(T, density_temp_array):", SS316L.heat_conductivity.evalf(T, density_temp_array))
SS316L.thermal_diffusivity = thermal_diffusivity_by_heat_conductivity(SS316L.heat_conductivity, SS316L.density, SS316L.heat_capacity)
args = (SS316L.temperature_array,
SS316L.energy_density_liquidus,
SS316L.energy_density_array)
# print('SS316L.heat_conductivity.evalf(T, density_temp_array): ', (SS316L.heat_conductivity.evalf(T, density_temp_array))) # <class 'numpy.ndarray'>
# print('SS316L.density.expr: ', type(SS316L.density.expr)) # <class 'sympy.core.mul.Mul'>
# print('SS316L.heat_capacity.evalf(T, heat_conductivity_temp_array): ', (SS316L.heat_capacity.evalf(T, heat_conductivity_temp_array))) # <class 'numpy.ndarray'>
print('SS316L.thermal_diffusivity: ', SS316L.thermal_diffusivity)
print('SS316L.thermal_diffusivity.evalf(T, 2003.15): ', (SS316L.thermal_diffusivity.evalf(T, density_temp_array)))
print("----------" * 10)
T_star = temperature_from_energy_density_array(*args)
print(f"T_star: {T_star}")
return SS316L
......
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