From b5681d33243e5a781551116e9916c30917277a03 Mon Sep 17 00:00:00 2001
From: Rahil Doshi <rahil.doshi@fau.de>
Date: Tue, 18 Mar 2025 17:13:49 +0100
Subject: [PATCH] Rename atomic mass unit to amu
---
src/pymatlib/data/constants.py | 4 ++--
src/pymatlib/data/element_data.py | 26 +++++++++++++-------------
2 files changed, 15 insertions(+), 15 deletions(-)
diff --git a/src/pymatlib/data/constants.py b/src/pymatlib/data/constants.py
index c819919..897e370 100644
--- a/src/pymatlib/data/constants.py
+++ b/src/pymatlib/data/constants.py
@@ -9,12 +9,12 @@ class Constants:
Attributes:
temperature_room (float): Room temperature in Kelvin.
N_a (float): Avogadro's number, the number of constituent particles (usually atoms or molecules) in one mole of a given substance.
- u (float): Atomic mass unit in kilograms.
+ amu (float): Atomic mass unit in kilograms.
e (float): Elementary charge, the electric charge carried by a single proton or the magnitude of the electric charge carried by a single electron.
speed_of_light (float): Speed of light in vacuum in meters per second.
"""
temperature_room: float = 298.15 # Room temperature in Kelvin
N_a: float = 6.022141e23 # Avogadro's number, /mol
- u: float = 1.660538e-27 # Atomic mass unit, kg
+ amu: float = 1.660538e-27 # Atomic mass unit, kg
e: float = 1.60217657e-19 # Elementary charge, C
speed_of_light: float = 0.299792458e9 # Speed of light, m/s
diff --git a/src/pymatlib/data/element_data.py b/src/pymatlib/data/element_data.py
index 75f035b..18ce7e4 100644
--- a/src/pymatlib/data/element_data.py
+++ b/src/pymatlib/data/element_data.py
@@ -8,7 +8,7 @@ from pymatlib.core.elements import ChemicalElement
C = ChemicalElement(
name="Carbon",
atomic_number=6,
- atomic_mass=12.0107 * Constants.u,
+ atomic_mass=12.0107 * Constants.amu,
temperature_melt=3915, # Melting temperature = 3915 K
temperature_boil=4300, # Boiling temperature = 4300 K
latent_heat_of_fusion=117000, # Latent heat of fusion = 117 kJ/mol
@@ -18,7 +18,7 @@ C = ChemicalElement(
N = ChemicalElement(
name="Nitrogen",
atomic_number=7,
- atomic_mass=14.0067 * Constants.u,
+ atomic_mass=14.0067 * Constants.amu,
temperature_melt=63.15, # Melting temperature = 63.15 K
temperature_boil=77.36, # Boiling temperature = 77.36 K
latent_heat_of_fusion=720, # Latent heat of fusion = 0.72 kJ/mol
@@ -28,7 +28,7 @@ N = ChemicalElement(
Al = ChemicalElement(
name="Aluminium",
atomic_number=13, # Atomic number = 13 / Source: Periodic Table
- atomic_mass=26.9815384 * Constants.u, # Atomic mass = 26.9815384 u / Source: NIST
+ atomic_mass=26.9815384 * Constants.amu, # Atomic mass = 26.9815384 amu / Source: NIST
temperature_melt=933.35, # Melting temperature = 933.35 K / Source: RSC
temperature_boil=2743, # Boiling temperature = 2743 K / Source: RSC
latent_heat_of_fusion=10700, # Latent heat of fusion = 10700 J/kg / Source: CRC
@@ -38,7 +38,7 @@ Al = ChemicalElement(
Si = ChemicalElement(
name="Silicon",
atomic_number=14,
- atomic_mass=28.0855 * Constants.u,
+ atomic_mass=28.0855 * Constants.amu,
temperature_melt=1687, # Melting temperature = 1687 K
temperature_boil=3538, # Boiling temperature = 3538 K
latent_heat_of_fusion=50200, # Latent heat of fusion = 50.2 kJ/mol
@@ -48,7 +48,7 @@ Si = ChemicalElement(
P = ChemicalElement(
name="Phosphorus",
atomic_number=15,
- atomic_mass=30.973762 * Constants.u,
+ atomic_mass=30.973762 * Constants.amu,
temperature_melt=317.3, # Melting temperature = 317.3 K
temperature_boil=553.7, # Boiling temperature = 553.7 K
latent_heat_of_fusion=2510, # Latent heat of fusion = 2.51 kJ/mol
@@ -58,7 +58,7 @@ P = ChemicalElement(
S = ChemicalElement(
name="Sulfur",
atomic_number=16,
- atomic_mass=32.065 * Constants.u,
+ atomic_mass=32.065 * Constants.amu,
temperature_melt=388.36, # Melting temperature = 388.36 K
temperature_boil=717.8, # Boiling temperature = 717.8 K
latent_heat_of_fusion=1730, # Latent heat of fusion = 1.73 kJ/mol
@@ -68,7 +68,7 @@ S = ChemicalElement(
Ti = ChemicalElement(
name="Titanium",
atomic_number=22, # Atomic number = 22 / Source: Periodic Table
- atomic_mass=47.867 * Constants.u, # Atomic mass = 47.867 u / Source: NIST
+ atomic_mass=47.867 * Constants.amu, # Atomic mass = 47.867 amu / Source: NIST
temperature_melt=1941, # Melting temperature = 1941 K / Source: RSC
temperature_boil=3560, # Boiling temperature = 3560 K / Source: RSC
latent_heat_of_fusion=18700, # Latent heat of fusion = 18700 J/kg / Source: CRC
@@ -78,7 +78,7 @@ Ti = ChemicalElement(
V = ChemicalElement(
name="Vanadium",
atomic_number=23, # Atomic number = 23 / Source: Periodic Table
- atomic_mass=50.9415 * Constants.u, # Atomic mass = 50.9415 u / Source: NIST
+ atomic_mass=50.9415 * Constants.amu, # Atomic mass = 50.9415 amu / Source: NIST
temperature_melt=2183, # Melting temperature = 2183 K / Source: RSC
temperature_boil=3680, # Boiling temperature = 3680 K / Source: RSC
latent_heat_of_fusion=21500, # Latent heat of fusion = 21500 J/kg / Source: CRC
@@ -88,7 +88,7 @@ V = ChemicalElement(
Cr = ChemicalElement(
name="Chromium",
atomic_number=24, # Atomic number = 24 / Source: Periodic Table
- atomic_mass=51.9961 * Constants.u, # Atomic mass = 51.9961 u / Source: NIST
+ atomic_mass=51.9961 * Constants.amu, # Atomic mass = 51.9961 amu / Source: NIST
temperature_melt=2180, # Melting temperature = 2180 K / Source: RSC
temperature_boil=2944, # Boiling temperature = 2944 K / Source: RSC
latent_heat_of_fusion=16500, # Latent heat of fusion = 16500 J/kg / Source: CRC
@@ -98,7 +98,7 @@ Cr = ChemicalElement(
Mn = ChemicalElement(
name="Manganese",
atomic_number=25, # Atomic number = 25 / Source: Periodic Table
- atomic_mass=54.938045 * Constants.u, # Atomic mass = 54.938045 u / Source: NIST
+ atomic_mass=54.938045 * Constants.amu, # Atomic mass = 54.938045 amu / Source: NIST
temperature_melt=1519, # Melting temperature = 1519 K / Source: RSC
temperature_boil=2334, # Boiling temperature = 2334 K / Source: RSC
latent_heat_of_fusion=12500, # Latent heat of fusion = 12500 J/kg / Source: CRC
@@ -108,7 +108,7 @@ Mn = ChemicalElement(
Fe = ChemicalElement(
name="Iron",
atomic_number=26, # Atomic number = 26 / Source: Periodic Table
- atomic_mass=55.845 * Constants.u, # Atomic mass = 55.845 u / Source: NIST
+ atomic_mass=55.845 * Constants.amu, # Atomic mass = 55.845 amu / Source: NIST
temperature_melt=1809, # Melting temperature = 1809 K / Source: RSC
temperature_boil=3134, # Boiling temperature = 3134 K / Source: RSC
latent_heat_of_fusion=13800, # Latent heat of fusion = 13800 J/kg / Source: CRC
@@ -118,7 +118,7 @@ Fe = ChemicalElement(
Ni = ChemicalElement(
name="Nickel",
atomic_number=28, # Atomic number = 28 / Source: Periodic Table
- atomic_mass=58.6934 * Constants.u, # Atomic mass = 58.6934 u / Source: NIST
+ atomic_mass=58.6934 * Constants.amu, # Atomic mass = 58.6934 amu / Source: NIST
temperature_melt=1728, # Melting temperature = 1728 K / Source: RSC
temperature_boil=3186, # Boiling temperature = 3186 K / Source: RSC
latent_heat_of_fusion=17200, # Latent heat of fusion = 17200 J/kg / Source: CRC
@@ -128,7 +128,7 @@ Ni = ChemicalElement(
Mo = ChemicalElement(
name="Molybdenum",
atomic_number=42,
- atomic_mass=95.96 * Constants.u,
+ atomic_mass=95.96 * Constants.amu,
temperature_melt=2896, # Melting temperature = 2896K (2623°C)
temperature_boil=4912, # Boiling temperature = 4912K (4639°C)
latent_heat_of_fusion=37480, # Latent heat of fusion = 37.48 kJ/mol
--
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