Quantum Mechanics Questions the Molecular Dynamics of Submicron Structures

In the 1950s, Metropolis and Teller pioneered molecular dynamics (MD) as a method to derive the thermodynamic and transport properties of bulk molecular liquids. Submicron ensembles comprising a few hundred atoms with periodic boundary conditions were used to derive the bulk liquid properties. Even though the ensembles were submicron, the periodic boundary conditions allowed the heat capacity of the atom at wavelengths longer than the dimensions of the ensemble to be included in the MD simulations.

Today, MD simulations have been extended almost entirely to discrete submicron structures. See WTC IV The implicit assumption in the later MD simulations was there is no difference between the thermal heat capacity of the atoms in the discrete submicron structures and those ensembles in MD simulations with periodic boundary conditions.

However, quantum mechanics (QM) as embodied in the Einstein-Hopf relation shows the thermal heat capacity of the atom as given by the Planck energy of the harmonic oscillator depends on dispersion with wavelength. At ambient temperature, most of the thermal heat capacity of the atom is available at wavelengths > 100 microns where the thermal kT energy is about 25.8 meV. But the thermal emission from atoms in submicron structures is confined to wavelengths < 1 micron, and therefore excludes almost all of the heat capacity of the atom. Alternatively, atoms in discrete submicron structures in MD simulations lack the heat capacity necessary to conserve absorbed EM energy by an increase in temperature.

MD simulations of discrete submicron ensembles may proceed as usual provided the QM restriction on the heat capacity of the atoms is properly simulated. One such method is the theory of QED induced radiations. See QED radiations Lacking the heat capacity to conserve absorbed EM energy by an increase in temperature, the absorbed EM energy is frequency up or down-converted by QED to the EM confinement frequency of the submicron structure. Subsequently, the absorbed EM energy is conserved by the emission of non-thermal EM radiation.

3 thoughts on “Quantum Mechanics Questions the Molecular Dynamics of Submicron Structures

  1. I have a question and you seem like you might know the answer. Is the reasoning below valid?…

    “If energy was received on the early Earth in limited amounts, and it dissipated rapidly, then presumably this meant that only elements of matter that reacted quickly were able to react to the energy, and to ‘capture it’ in the form of chemical bonds. Each time energy was received the ‘fastest reacting’ elements captured it, and other elements got crowded out.”

    • Anonymous

      I am not sure what you mean by “there is time delay” The time for absorption and re-emission in a DP is very fast, say a few femto seconds. Is there an argument that galaxy light undergoes time delay? Please explain further.

      With regard expansion of the Universe, I avoid questions on expansion dynamics by the more fundamental argument that Hubble’s measurements were most likely QED induced redshift in cosmic dust and thave nothing to do with an expanding Universe.

      I will respond to your blog later.


      I will respond to your blog later.



  2. I apologize for not responding sooner, but am iquite busy. Another reason is I am not sure of the intent of your question. So, let me answer by the following:

    I always thought there was an abundant supply of energy on the early earth. By energy, I mean EM radiation such as solar radiation. But submicron particulate would respond to the EM radiation differently than larger particulate. The submicron particulate would produce UV or higher radiation so that any included DNA would be damaged that would lead to mutations. The larger particles would simply thermalize without any biological effect. I guess the DNA in larger particulate got “crowded out”” of the evolutionary process on the early earth. I am not sure this answers your quesiton, but if not we can try again.

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