498
25 Perspectives
(4) Strikingly, the DPS filters the fraction-stiffness transition of bonds from the
reference state to the conditioned, which has derived the thickness of skin-shell
thickness of liquid and solid nanocrystals up to two atomic diameters.
(5) Charge injection in terms of anions, cations, electrons, lone pairs, protons, and
molecular dipoles by acid, base, and salt solvation mediates the O:H–O bonding
network and properties of a solution through O:H formation, H↔H fragilization,
O:⇔:O compression, electrostatic polarization, H 2 O dipolar screen shielding,
solute-solute interaction, and undercoordinated H–O bond contraction.
(6) O:H–O segmental specific-heat disparity derives the quasisolid phase of negative thermal expansion. Molecular undercoordination and electrostatic polarization result in the supersolid phase that disperses the QS boundary outwardly.
Excessive protons and lone pairs form the H 3 O
+ hydronium and HO
− hydroxide,
which turns an O:H–O bond into the H↔H anti–HB breaker upon acid solvation and O:⇔:O super–HB compressor and polarizer on base solvation. Ions
polarize and stretches the O:H–O bond and shifts the segmental frequencies.
25.2 Perspectives
Progress described in this part recommend the following
(1) The notion of the multifield bonding dynamics may overcome limitations of
the Gibbs free energy, the molecular dynamics premise, and the Grüneisen
parameter, ∂ω/∂x i , for materials properties under perturbation. External stimulus mediates the properties by relaxing the interatomic bonding and the associated energetics, densification, localization, entrapment and polarization of
electrons. Gibbs energy, dG(P, T, N, …) = SdT + VdP + μdN +…, is valid
for macroscopic statistic systems and gaseous phases by taking the degrees of
freedom as plain variables with S, V, μ being the entropy, volume, and chemical
potentials. Molecular dynamics takes the molecules as the basic structure unit
with little attention to the coupling of the intramolecular and intermolecular
interactions, such as water and molecular crystals.
(2) It is important to note that nonbonding weak O:H interactions, and even the
H↔H and O:⇔:O repulsions are the keys to the performance of substance
though they contribute insignificantly to the Hamiltonian and disobey the dispersion of the Schrödinger equations. Water forms the simplest, ordered, fluctuating molecular crystal because of its equal numbers of lone pairs and protons
compared with other molecular crystals.
(3) The phonon spectrometrics and the DPS is powerful yet convenient to probe
the bond relaxation and transition dynamics without needing the critical highvacuum conditions. The phonon spectrometrics is suitable for all sorts substance,
25 Perspectives
(4) Strikingly, the DPS filters the fraction-stiffness transition of bonds from the
reference state to the conditioned, which has derived the thickness of skin-shell
thickness of liquid and solid nanocrystals up to two atomic diameters.
(5) Charge injection in terms of anions, cations, electrons, lone pairs, protons, and
molecular dipoles by acid, base, and salt solvation mediates the O:H–O bonding
network and properties of a solution through O:H formation, H↔H fragilization,
O:⇔:O compression, electrostatic polarization, H 2 O dipolar screen shielding,
solute-solute interaction, and undercoordinated H–O bond contraction.
(6) O:H–O segmental specific-heat disparity derives the quasisolid phase of negative thermal expansion. Molecular undercoordination and electrostatic polarization result in the supersolid phase that disperses the QS boundary outwardly.
Excessive protons and lone pairs form the H 3 O
+ hydronium and HO
− hydroxide,
which turns an O:H–O bond into the H↔H anti–HB breaker upon acid solvation and O:⇔:O super–HB compressor and polarizer on base solvation. Ions
polarize and stretches the O:H–O bond and shifts the segmental frequencies.
25.2 Perspectives
Progress described in this part recommend the following
(1) The notion of the multifield bonding dynamics may overcome limitations of
the Gibbs free energy, the molecular dynamics premise, and the Grüneisen
parameter, ∂ω/∂x i , for materials properties under perturbation. External stimulus mediates the properties by relaxing the interatomic bonding and the associated energetics, densification, localization, entrapment and polarization of
electrons. Gibbs energy, dG(P, T, N, …) = SdT + VdP + μdN +…, is valid
for macroscopic statistic systems and gaseous phases by taking the degrees of
freedom as plain variables with S, V, μ being the entropy, volume, and chemical
potentials. Molecular dynamics takes the molecules as the basic structure unit
with little attention to the coupling of the intramolecular and intermolecular
interactions, such as water and molecular crystals.
(2) It is important to note that nonbonding weak O:H interactions, and even the
H↔H and O:⇔:O repulsions are the keys to the performance of substance
though they contribute insignificantly to the Hamiltonian and disobey the dispersion of the Schrödinger equations. Water forms the simplest, ordered, fluctuating molecular crystal because of its equal numbers of lone pairs and protons
compared with other molecular crystals.
(3) The phonon spectrometrics and the DPS is powerful yet convenient to probe
the bond relaxation and transition dynamics without needing the critical highvacuum conditions. The phonon spectrometrics is suitable for all sorts substance,