Related Experiment Video
Updated: Apr 19, 2026
10:36
Stress Distribution During Cold Compression of Rocks and Mineral Aggregates Using Synchrotron-based X-Ray Diffraction
Published on: May 20, 2018
10.2K
Quantum mechanical metric for internal cohesion in cement crystals
C C Dharmawardhana1, A Misra2, Wai-Yim Ching1
1Department of Physics and Astronomy, University of Missouri - Kansas City, 5110 Rockhill Road, Kansas City, MO 64110, USA.
Scientific Reports
|December 6, 2014
Summary
This study analyzes the atomic structure of calcium silicate hydrate (CSH) minerals, revealing bonding contributions and proposing total bond order density (TBOD) as a key metric for material cohesion. Suolunite shows superior cohesion compared to cement backbone phases.
Area of Science:
- Materials Science
- Chemistry
- Mineralogy
Background:
- Calcium silicate hydrate (CSH) is the primary binding phase in Portland cement, a critical global construction material.
- Understanding CSH at the atomic level is essential due to its complex structure and chemistry.
- Previous research has focused on various length scales, necessitating atomic-level insights.
Purpose of the Study:
- To investigate the electronic structure and bonding characteristics of a diverse set of CSH minerals.
- To identify a reliable metric for assessing the crystal cohesion of CSH materials.
- To compare the cohesion of different CSH phases, including less common ones.
Main Methods:
- Computational study of electronic structure and bonding.
- Analysis of bonding contributions, including hydrogen bonding.
- Calculation and comparison of total bond order density (TBOD) across various CSH minerals.
Main Results:
- Detailed electronic structure and bonding contributions were elucidated for multiple CSH minerals.
- Hydrogen bonding plays a significant role in the overall structure and properties of CSH.
- Total bond order density (TBOD) emerged as a superior metric for evaluating crystal cohesion compared to the Ca:Si ratio.
Conclusions:
- The findings provide critical data for analyzing spectroscopic measurements and developing accurate CSH models.
- Total bond order density (TBOD) is proposed as the new standard for assessing CSH cohesion.
- The orthorhombic mineral Suolunite exhibits higher cohesion than Jennite and Tobermorite, challenging existing assumptions about cement hydration.
More Related Videos
Related Concept Videos
02:18X-ray Crystallography
27.2K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
27.2K
02:22Structures of Solids
22.6K
Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
22.6K
01:18Unit Cells
97
A crystal's internal structure is an orderly array of atoms, ions, or molecules, and the details of this array significantly influence the solid's properties. In a crystal, periodically repeating 'structural motifs' - which could be atoms, molecules, or groups thereof - create a 'space lattice.' This is essentially a three-dimensional, infinite array of points, each surrounded by its neighbors in an identical way, forming the basic structure of the crystal.A 'unit cell' is a theoretical...
97
02:33Lattice Centering and Coordination Number
16.4K
The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
Types of Unit Cells
Imagine taking a large number of identical...
16.4K
01:29Determination of Crystal Structures
126
In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
126
01:15Fineness of Cement
695
The fineness of cement directly influences the rate of hydration, as the hydration begins at the surface of the cement particles. In addition to hydration, the fineness of cement is vital for various properties of concrete including workability, gypsum requirement, and long-term behavior. The fineness of cement is represented in terms of the specific surface of cement which is typically measured in square meters per kilogram, with several methods available for this determination.
Direct...
Direct...
695