Elastic modulus

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An elastic modulus (also known as modulus of elasticity) is the unit of measurement of an object's or substance's resistance to being deformed elastically (i.e., non-permanently) when a stress is applied to it.

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Definition

The elastic modulus of an object is defined as the slope of its stress–strain curve in the elastic deformation region: [1] A stiffer material will have a higher elastic modulus. An elastic modulus has the form:

where stress is the force causing the deformation divided by the area to which the force is applied and strain is the ratio of the change in some parameter caused by the deformation to the original value of the parameter.

Since strain is a dimensionless quantity, the units of will be the same as the units of stress. [2]

Elastic Constants and Moduli

Elastic constants are specific parameters that quantify the stiffness of a material in response to applied stresses and are fundamental in defining the elastic properties of materials. These constants form the elements of the stiffness matrix in tensor notation, which relates stress to strain through linear equations in anisotropic materials. Commonly denoted as Cijkl​, where i,j,k, and l are the coordinate directions, these constants are essential for understanding how materials deform under various loads. [3]

Types of elastic modulus

Specifying how stress and strain are to be measured, including directions, allows for many types of elastic moduli to be defined. The four primary ones are:

  1. Young's modulus (E) describes tensile and compressive elasticity, or the tendency of an object to deform along an axis when opposing forces are applied along that axis; it is defined as the ratio of tensile stress to tensile strain. It is often referred to simply as the elastic modulus.
  2. The shear modulus or modulus of rigidity (G or Lamé second parameter) describes an object's tendency to shear (the deformation of shape at constant volume) when acted upon by opposing forces; it is defined as shear stress over shear strain. The shear modulus is part of the derivation of viscosity.
  3. The bulk modulus (K) describes volumetric elasticity, or the tendency of an object to deform in all directions when uniformly loaded in all directions; it is defined as volumetric stress over volumetric strain, and is the inverse of compressibility. The bulk modulus is an extension of Young's modulus to three dimensions.
  4. Flexural modulus (Eflex) describes the object's tendency to flex when acted upon by a moment.

Two other elastic moduli are Lamé's first parameter, λ, and P-wave modulus, M, as used in table of modulus comparisons given below references. Homogeneous and isotropic (similar in all directions) materials (solids) have their (linear) elastic properties fully described by two elastic moduli, and one may choose any pair. Given a pair of elastic moduli, all other elastic moduli can be calculated according to formulas in the table below at the end of page.

Inviscid fluids are special in that they cannot support shear stress, meaning that the shear modulus is always zero. This also implies that Young's modulus for this group is always zero.

In some texts, the modulus of elasticity is referred to as the elastic constant, while the inverse quantity is referred to as elastic modulus.

Density Functional Theory Calculation of Elastic Modulus

Density Functional Theory (DFT) provides reliable methods for determining several forms of elastic moduli that characterise distinct features of a material's reaction to mechanical stresses.Utilize DFT software such as VASP, Quantum ESPRESSO, or ABINIT. Overall, conduct tests to ensure that results are independent of computational parameters such as the density of the k-point mesh, the plane-wave cutoff energy, and the size of the simulation cell.

  1. Young's Modulus (E) - apply small, incremental changes in the lattice parameter along a specific axis and compute the corresponding stress response using DFT. Young’s modulus is then calculated as E=σ/ϵ, where σ is the stress and ϵ is the strain. [4]
    1. Initial Structure: Start with a relaxed structure of the material. All atoms should be in a state of minimum energy (i.e., minimum energy state with zero forces on atoms) before any deformations are applied. [5]
    2. Incremental Uniaxial Strain: Apply small, incremental strains to the crystal lattice along a particular axis. This strain is usually uniaxial, meaning it stretches or compresses the lattice in one direction while keeping other dimensions constant or periodic.
    3. Calculate Stresses: For each strained configuration, run a DFT calculation to compute the resulting stress tensor. This involves solving the Kohn-Sham equations to find the ground state electron density and energy under the strained conditions
    4. Stress-Strain Curve: Plot the calculated stress versus the applied strain to create a stress-strain curve. The slope of the initial, linear portion of this curve gives Young's modulus. Mathematically, Young's modulus E is calculated using the formula E=σ/ϵ, where σ is the stress and ϵ is the strain.
  2. Shear Modulus (G)
    1. Initial Structure: Start with a relaxed structure of the material. All atoms should be in a state of minimum energy with no residual forces. (i.e., minimum energy state with zero forces on atoms) before any deformations are applied.
    2. Shear Strain Application: Apply small increments of shear strain to the material. Shear strains are typically off-diagonal components in the strain tensor, affecting the shape but not the volume of the crystal cell. [6]
    3. Stress Calculation: For each configuration with applied shear strain, perform a DFT calculation to determine the resulting stress tensor.
    4. Shear Stress vs. Shear Strain Curve: Plot the calculated shear stress against the applied shear strain for each increment.The slope of the stress-strain curve in its linear region provides the shear modulus, G=τ/γ, where τ is the shear stress and γ is the applied shear strain.
  3. Bulk Modulus (K)
    1. Initial Structure: Start with a relaxed structure of the material. It’s crucial that the material is fully optimized, ensuring that any changes in volume are purely due to applied pressure.
    2. Volume Changes: Incrementally change the volume of the crystal cell, either compressing or expanding it. This is typically done byuniformly scaling the lattice parameters.
    3. Calculate Pressure: For each altered volume, perform a DFT calculation to determine the pressure required to maintain that volume. DFT allows for the calculation of stress tensors which provide a direct measure of the internal pressure.
    4. Pressure-Volume Curve: Plot the applied pressure against the resulting volume change. The bulk modulus can be calculated from the slope of this curve in the linear elastic region.The bulk modulus is defined as K=−VdVdP​, where V is the original volume, dP is the change in pressure, and dV is the change in volume. [7]

See also

Related Research Articles

<span class="mw-page-title-main">Young's modulus</span> Mechanical property that measures stiffness of a solid material

Young's modulus is a mechanical property of solid materials that measures the tensile or compressive stiffness when the force is applied lengthwise. It is the modulus of elasticity for tension or axial compression. Young's modulus is defined as the ratio of the stress applied to the object and the resulting axial strain in the linear elastic region of the material.

<span class="mw-page-title-main">Hooke's law</span> Physical law: force needed to deform a spring scales linearly with distance

In physics, Hooke's law is an empirical law which states that the force needed to extend or compress a spring by some distance scales linearly with respect to that distance—that is, Fs = kx, where k is a constant factor characteristic of the spring, and x is small compared to the total possible deformation of the spring. The law is named after 17th-century British physicist Robert Hooke. He first stated the law in 1676 as a Latin anagram. He published the solution of his anagram in 1678 as: ut tensio, sic vis. Hooke states in the 1678 work that he was aware of the law since 1660.

In engineering, deformation refers to the change in size or shape of an object. Displacements are the absolute change in position of a point on the object. Deflection is the relative change in external displacements on an object. Strain is the relative internal change in shape of an infinitesimal cube of material and can be expressed as a non-dimensional change in length or angle of distortion of the cube. Strains are related to the forces acting on the cube, which are known as stress, by a stress-strain curve. The relationship between stress and strain is generally linear and reversible up until the yield point and the deformation is elastic. Elasticity in materials occurs when applied stress does not surpass the energy required to break molecular bonds, allowing the material to deform reversibly and return to its original shape once the stress is removed. The linear relationship for a material is known as Young's modulus. Above the yield point, some degree of permanent distortion remains after unloading and is termed plastic deformation. The determination of the stress and strain throughout a solid object is given by the field of strength of materials and for a structure by structural analysis.

<span class="mw-page-title-main">Stress–strain curve</span> Curve representing a materials response to applied forces

In engineering and materials science, a stress–strain curve for a material gives the relationship between stress and strain. It is obtained by gradually applying load to a test coupon and measuring the deformation, from which the stress and strain can be determined. These curves reveal many of the properties of a material, such as the Young's modulus, the yield strength and the ultimate tensile strength.

<span class="mw-page-title-main">Poisson's ratio</span> Measure of material deformation perpendicular to loading

In materials science and solid mechanics, Poisson's ratioν (nu) is a measure of the Poisson effect, the deformation of a material in directions perpendicular to the specific direction of loading. The value of Poisson's ratio is the negative of the ratio of transverse strain to axial strain. For small values of these changes, ν is the amount of transversal elongation divided by the amount of axial compression. Most materials have Poisson's ratio values ranging between 0.0 and 0.5. For soft materials, such as rubber, where the bulk modulus is much higher than the shear modulus, Poisson's ratio is near 0.5. For open-cell polymer foams, Poisson's ratio is near zero, since the cells tend to collapse in compression. Many typical solids have Poisson's ratios in the range of 0.2 to 0.3. The ratio is named after the French mathematician and physicist Siméon Poisson.

In physics and materials science, elasticity is the ability of a body to resist a distorting influence and to return to its original size and shape when that influence or force is removed. Solid objects will deform when adequate loads are applied to them; if the material is elastic, the object will return to its initial shape and size after removal. This is in contrast to plasticity, in which the object fails to do so and instead remains in its deformed state.

The field of strength of materials typically refers to various methods of calculating the stresses and strains in structural members, such as beams, columns, and shafts. The methods employed to predict the response of a structure under loading and its susceptibility to various failure modes takes into account the properties of the materials such as its yield strength, ultimate strength, Young's modulus, and Poisson's ratio. In addition, the mechanical element's macroscopic properties such as its length, width, thickness, boundary constraints and abrupt changes in geometry such as holes are considered.

<span class="mw-page-title-main">Stiffness</span> Resistance to deformation in response to force

Stiffness is the extent to which an object resists deformation in response to an applied force.

Stress–strain analysis is an engineering discipline that uses many methods to determine the stresses and strains in materials and structures subjected to forces. In continuum mechanics, stress is a physical quantity that expresses the internal forces that neighboring particles of a continuous material exert on each other, while strain is the measure of the deformation of the material.

In materials science and continuum mechanics, viscoelasticity is the property of materials that exhibit both viscous and elastic characteristics when undergoing deformation. Viscous materials, like water, resist shear flow and strain linearly with time when a stress is applied. Elastic materials strain when stretched and immediately return to their original state once the stress is removed.

In physics and engineering, a constitutive equation or constitutive relation is a relation between two or more physical quantities that is specific to a material or substance or field, and approximates its response to external stimuli, usually as applied fields or forces. They are combined with other equations governing physical laws to solve physical problems; for example in fluid mechanics the flow of a fluid in a pipe, in solid state physics the response of a crystal to an electric field, or in structural analysis, the connection between applied stresses or loads to strains or deformations.

<span class="mw-page-title-main">Bulk modulus</span> Resistance of a material to uniform pressure

The bulk modulus of a substance is a measure of the resistance of a substance to bulk compression. It is defined as the ratio of the infinitesimal pressure increase to the resulting relative decrease of the volume.

<span class="mw-page-title-main">Shear modulus</span> Ratio of shear stress to shear strain

In materials science, shear modulus or modulus of rigidity, denoted by G, or sometimes S or μ, is a measure of the elastic shear stiffness of a material and is defined as the ratio of shear stress to the shear strain:

<span class="mw-page-title-main">Work hardening</span> Strengthening a material through plastic deformation

In materials science, work hardening, also known as strain hardening, is the strengthening of a metal or polymer by plastic deformation. Work hardening may be desirable, undesirable, or inconsequential, depending on the context.

<span class="mw-page-title-main">Yield (engineering)</span> Phenomenon of deformation due to structural stress

In materials science and engineering, the yield point is the point on a stress-strain curve that indicates the limit of elastic behavior and the beginning of plastic behavior. Below the yield point, a material will deform elastically and will return to its original shape when the applied stress is removed. Once the yield point is passed, some fraction of the deformation will be permanent and non-reversible and is known as plastic deformation.

In materials science, hardness is a measure of the resistance to localized plastic deformation, such as an indentation or a scratch (linear), induced mechanically either by pressing or abrasion. In general, different materials differ in their hardness; for example hard metals such as titanium and beryllium are harder than soft metals such as sodium and metallic tin, or wood and common plastics. Macroscopic hardness is generally characterized by strong intermolecular bonds, but the behavior of solid materials under force is complex; therefore, hardness can be measured in different ways, such as scratch hardness, indentation hardness, and rebound hardness. Hardness is dependent on ductility, elastic stiffness, plasticity, strain, strength, toughness, viscoelasticity, and viscosity. Common examples of hard matter are ceramics, concrete, certain metals, and superhard materials, which can be contrasted with soft matter.

Elastic energy is the mechanical potential energy stored in the configuration of a material or physical system as it is subjected to elastic deformation by work performed upon it. Elastic energy occurs when objects are impermanently compressed, stretched or generally deformed in any manner. Elasticity theory primarily develops formalisms for the mechanics of solid bodies and materials. The elastic potential energy equation is used in calculations of positions of mechanical equilibrium. The energy is potential as it will be converted into other forms of energy, such as kinetic energy and sound energy, when the object is allowed to return to its original shape (reformation) by its elasticity.

In continuum mechanics, Lamé parameters are two material-dependent quantities denoted by λ and μ that arise in strain-stress relationships. In general, λ and μ are individually referred to as Lamé's first parameter and Lamé's second parameter, respectively. Other names are sometimes employed for one or both parameters, depending on context. For example, the parameter μ is referred to in fluid dynamics as the dynamic viscosity of a fluid ; whereas in the context of elasticity, μ is called the shear modulus, and is sometimes denoted by G instead of μ. Typically the notation G is seen paired with the use of Young's modulus E, and the notation μ is paired with the use of λ.

The T-failure criterion is a set of material failure criteria that can be used to predict both brittle and ductile failure.

References

  1. Askeland, Donald R.; Phulé, Pradeep P. (2006). The science and engineering of materials (5th ed.). Cengage Learning. p. 198. ISBN   978-0-534-55396-8.
  2. Beer, Ferdinand P.; Johnston, E. Russell; Dewolf, John; Mazurek, David (2009). Mechanics of Materials . McGraw Hill. p.  56. ISBN   978-0-07-015389-9.
  3. Schreiber, Edward; Anderson, O. L.; Soga, Naohiro (1974). Elastic constants and their measurement. New York: McGraw-Hill. ISBN   978-0-07-055603-4.
  4. Alasfar, Reema H.; Ahzi, Said; Barth, Nicolas; Kochkodan, Viktor; Khraisheh, Marwan; Koç, Muammer (2022-01-18). "A Review on the Modeling of the Elastic Modulus and Yield Stress of Polymers and Polymer Nanocomposites: Effect of Temperature, Loading Rate and Porosity". Polymers. 14 (3): 360. doi: 10.3390/polym14030360 . ISSN   2073-4360. PMC   8838186 . PMID   35160350.
  5. Hadi, M. A.; Christopoulos, S.-R. G.; Chroneos, A.; Naqib, S. H.; Islam, A. K. M. A. (2022-08-18). "DFT insights into the electronic structure, mechanical behaviour, lattice dynamics and defect processes in the first Sc-based MAX phase Sc2SnC". Scientific Reports. 12 (1): 14037. doi:10.1038/s41598-022-18336-z. ISSN   2045-2322. PMC   9388654 . PMID   35982080.
  6. Ahmed, Razu; Mahamudujjaman, Md; Afzal, Md Asif; Islam, Md Sajidul; Islam, R.S.; Naqib, S.H. (May 2023). "DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti)". Journal of Materials Research and Technology. 24: 4808–4832. doi:10.1016/j.jmrt.2023.04.147. ISSN   2238-7854.
  7. Choudhary, Kamal; Cheon, Gowoon; Reed, Evan; Tavazza, Francesca (2018-07-12). "Elastic properties of bulk and low-dimensional materials using van der Waals density functional". Physical Review B. 98 (1): 014107. arXiv: 1804.01033 . Bibcode:2018PhRvB..98a4107C. doi:10.1103/PhysRevB.98.014107. ISSN   2469-9950. PMC   7067065 . PMID   32166206.

Further reading

Conversion formulae
Homogeneous isotropic linear elastic materials have their elastic properties uniquely determined by any two moduli among these; thus, given any two, any other of the elastic moduli can be calculated according to these formulas, provided both for 3D materials (first part of the table) and for 2D materials (second part).
3D formulaeNotes

There are two valid solutions.
The plus sign leads to .

The minus sign leads to .
Cannot be used when
2D formulaeNotes
Cannot be used when