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Related Concept Videos

Deformation of Member under Multiple Loadings01:11

Deformation of Member under Multiple Loadings

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When a rod is made of different materials or has various cross-sections, it must be divided into parts that meet the necessary conditions for determining the deformation. These parts are each characterized by their internal force, cross-sectional area, length, and modulus of elasticity. These parameters are then used to compute the deformation of the entire rod.
In the case of a member with a variable cross-section, the strain is not constant but depends on the position. The deformation of an...
499
Deformations in a Transverse Cross Section01:21

Deformations in a Transverse Cross Section

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When a material is subjected to uniaxial stress, it elongates or contracts in the direction of the applied force, and also undergoes changes in the perpendicular directions. This behavior is crucial for understanding how materials behave under stress and is governed by mechanical properties such as Poisson's ratio v, which measures the ratio of transverse strain to axial strain.
As the material stretches, it expands or contracts in orthogonal directions to the load. This phenomenon varies...
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Plastic Deformations of Members with a Single Plane of Symmetry01:21

Plastic Deformations of Members with a Single Plane of Symmetry

386
When a structural member undergoes plastic deformation due to bending, it is crucial to understand the position of the neutral axis and the stress distribution. This member, characterized by a single plane of symmetry, exhibits a uniform stress distribution, with negative stress above the neutral axis and positive stress below. Notably, the neutral axis does not align with the centroid of the cross-section. This misalignment is typical in cases where the cross-section is not rectangular or...
386
Transformation of Plane Strain01:12

Transformation of Plane Strain

548
When analyzing elongated structures like bars subjected to uniformly distributed loads, it is essential to understand the transformation of plane strain when coordinate axes are rotated. This transformation helps to assess how material deformation characteristics vary with orientation, which is crucial in materials science and structural engineering.
Under plane strain conditions, typical for members where one dimension significantly exceeds the others, deformations and resultant strains are...
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Deformations in a Symmetric Member in Bending01:18

Deformations in a Symmetric Member in Bending

534
When analyzing the deformation of a symmetric prismatic member subjected to bending by equal and opposite couples, it becomes clear that as the member bends, the originally straight lines on its wider faces curve into circular arcs, with a constant radius centered at a point known as Point C. This phenomenon helps to understand the stress and strain distribution within the member more clearly.
When the member is segmented into tiny cubic elements, it is observed that the primary stress...
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Temperature Dependent Deformation01:12

Temperature Dependent Deformation

423
In a nonhomogeneous rod made up of steel and brass, restrained at both ends and subjected to a temperature change, several steps are involved in calculating the stress and compressive load. Due to the problem's static indeterminacy, one end support is disconnected, allowing the rod to experience the temperature change freely. Next, an unknown force is applied at the free end, triggering deformations in the rod's steel and brass portions. These deformations are then calculated and added...
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GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps.

J Manuel Otero-Mato1, Hadrián Montes-Campos1, Martín Calvelo2

  • 1Nanomaterials, Photonics and Soft Matter Group, Departamento de Física de Partículas y Departamento de Física Aplicada, Facultade de Física, Universidade de Santiago de Compostela , Campus Vida s/n, E-15782 Santiago de Compostela, Spain.

Journal of Chemical Theory and Computation
|December 20, 2017
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Summary
This summary is machine-generated.

A novel Monte Carlo method enables seamless switching between molecular structures with varying particle representations and resolutions. This efficient approach ensures accurate configuration mapping for diverse systems and force fields.

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Area of Science:

  • Computational chemistry and molecular modeling.
  • Statistical mechanics and simulation methods.

Background:

  • Accurate molecular modeling requires efficient methods for handling different particle representations and resolutions.
  • Existing methods may necessitate extensive system-specific coding or database modifications.

Purpose of the Study:

  • To introduce a general and efficient computational method for converting between discrete and flexible molecular structures with varying particle counts.
  • To enable seamless switching between different resolution levels and force fields without requiring additional code.

Main Methods:

  • Utilizes Monte Carlo sampling of configurational space for each object type.
  • Employs a Metropolis acceptance criterion based on generalized distance between particle sets.
  • Generates resolution exchange maps for accurate configuration extrapolation.

Main Results:

  • The method is fully general, applicable to various molecular systems and force fields (GROMOS, AMBER, OPLS, MARTINI).
  • Demonstrated efficiency with molecular dynamics simulations including ionic liquids, peptides, lipids, DNA, and proteins.
  • Mapping time is independent of system size, proving high computational efficiency.

Conclusions:

  • The developed method provides a statistically sound and efficient approach for structure conversion across different resolutions and representations.
  • It offers a versatile tool for molecular modeling, applicable to homogeneous and heterogeneous systems.
  • The technique facilitates accurate extrapolation of configurations, enhancing the flexibility of molecular simulations.