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Using quantum equations of motion for interacting bosons, stochastic molecular dynamics simulations with quantized momenta are performed for Lennard-Jones helium-4. The viscosity of the quantum liquid is significantly less than that of the classical liquid, being almost 5 times smaller at the lowest temperature studied. The classical and quantum liquids are identical except for Bose-Einstein condensation, which pinpoints the molecular mechanism for superfluidity. The results rely on the existence of stochastic but real particle trajectories, which has implications for the interpretation of quantum mechanics., Comment: 11 pages, 8 figures, 2 aphorisms. v2: two appendices added. v3: now with five appendices

The Shannon information is shown to be different to the thermodynamic entropy, and indifferent to the Second Law of Thermodynamics., Comment: 4 pages, 10 equations

Botimer and Taborek (2016) measured the mass flux of superfluid $^4$He through a capillary into an evacuated chamber for various temperatures and pressures of the reservoir chamber. They found a sharp transition from low flux at low pressures to high flux at large pressures. Here it is shown that the superfluid condition of chemical potential equality predicts the induced temperature and also the transition pressure, which is attributed to the transition from a semispherical cap to a pool of $^4$He at the exit of the capillary. The results show that the two-fluid equations of superfluid flow, Landau's phonon-roton theory, and Feynman's critical vortex theory are unnecessary for a quantitative account of the measured transition pressure., Comment: 2 pages, 3 figures

A double fountain pressure model is used to analyze the recent measurements of Yu and Luo (arXiv2211.02236v4) of superfluid $^4$He flow between two chambers held at different temperatures via two superleaks and an intervening third chamber that spontaneously achieves a temperature higher than both fixed temperatures. The physical origin of the increased temperature in the intervening chamber is attributed to the balance between the rate of mechanical energy deposited by superfluid transport and the rate of convection back to the lower temperature chambers. An equation is given for the pressure of the third chamber, the measurement of which would confirm or refute the theory., Comment: 3 pages

Starting from Schr\"odinger's equation, Hamilton's classical equations of motion emerge from the collapse of the unsymmetrized wave function in a decoherent open quantum system entangled with its environment., Comment: 4 pages

The paradox of Bose-Einstein condensation is that phenomena such as the $\lambda$-transition heat capacity and superfluid flow are macroscopic, whereas the occupancy of the ground state is microscopic. This contradiction is resolved with a simple derivation for ideal bosons that shows Bose-Einstein condensation is into multiple low-lying states, not just the ground state., Comment: 2 pages, one idea

Decoherent quantum equations of motion are derived that yield the trajectory of an open quantum system. The viscosity of superfluid Lennard-Jones helium-4 is obtained with a quantum stochastic molecular dynamics algorithm. The momentum state occupancy entropy is counted with a continuous representation of boson number and averages are obtained with umbrella sampling. Instantaneous snapshots of the Bose-Einstein condensed system show multiple highly occupied momentum states. The viscosity is obtained from the Onsager-Green-Kubo relation with the time correlation function modified in the quantum case. On the saturation curve, at higher temperatures the viscosities of the classical and quantum liquids are equal. With decreasing temperature the viscosity of the classical liquid increases whereas that of the quantum liquid decreases. Below the $\lambda$-transition the viscosity lies significantly below the classical value, being small but positive due to the mixture of condensed and uncondensed bosons. The computed trajectories give a physical explanation of the molecular mechanism for superfluidity., Comment: 23 Pages, 15 Figures

In the previous paper (Attard 2022d)on the fountain pressure in superfluid helium, it was shown that the experimentally confirmed expression of H. London (1939) was thermodynamically equivalent to equality of chemical potential. However this theoretical equivalence was not reflected in the experimental data. The problem has now been traced to errors in the enthalpy and entropy derived from the measured heat capacity by Donnelly and Barenghi (1998). In this paper the corrected thermodynamic data yields almost exact agreement between the two expressions and the measured fountain pressure. A physical explanation is given for energy minimization as the principle that drives the fountain effect and superfluid flow more generally., Comment: 7 pages, 2 figures, 1 conclusion

The origin of the fountain pressure that arises from a small temperature difference in superfluid helium is analyzed. The osmotic pressure explanation due to Tisza (1938), based on the different fractions of ground state bosons, is formulated as an ideal solution and shown to overestimate the fountain pressure by an order of magnitude or more. The experimentally confirmed thermodynamic expression of H. London (1939), in which the temperature derivative of the pressure equals the entropy per unit volume, is shown to be equivalent to equality of chemical potential, not chemical potential divided by temperature. The former results from minimizing the energy at constant entropy, whereas the latter results from maximizing the entropy. It is concluded that superfluid flow in the fountain effect is driven by mechanical, not statistical, forces. This new principle appears to be a general law for flow in superfluids and superconductors., Comment: 10 pages, 5 figures, one idea

A new theory for Cooper pair formation and superconductivity is derived from quantum statistical mechanics. It is shown that zero momentum Cooper pairs have non-local permutations and behave as effective bosons with an internal weight close to unity when bound by a primary minimum in the potential of mean force. For a short-ranged, shallow, and highly curved minimum there is no thermodynamic barrier to condensation. The size of the condensing Cooper pairs found here is orders of magnitude smaller than those found in BCS theory. The new statistical theory is applicable to high temperature superconductors., Comment: 11 pages with Fig 6 included. See also P. Attard, "Attraction Between Electron Pairs in High Temperature Superconductors", arXiv:2203.02598 (2022)

It is proposed that in high temperature superconductors Cooper pairs form and condense due to the monotonic-oscillatory transition in the pair potential of mean force, which occurs quite generally at high coupling in charge systems. It is shown that the predicted transition temperatures are broadly in line with measured superconducting transition temperatures for reasonable values of the total electron density and the residual dielectric permittivity arising from the immobile electrons. The predicted transition is independent of the isotopic masses of the solid. Consequent design principles for high temperature superconductors are discussed., Comment: 4 pages, 1 idea. Fig. 1 caption corrected

Bose-Einstein condensation and the $\lambda$-transition are described in molecular detail for bosons interacting with a pair potential. New phenomena are identified that are absent in the usual ideal gas treatment. Monte Carlo simulations of Lennard-Jones helium-4 neglecting ground momentum state bosons give a diverging heat capacity approaching the transition. Pure permutation loops give continuous growth in the occupancy of the ground momentum state. Mixed ground and excited momentum state permutation loops give a discontinuous transition to the condensed phase. The consequent latent heat for the $\lambda$-transition is 3\% of the total energy. The predicted critical velocity for superfluid flow is within a factor of three of the measured values over three orders of magnitude in pore diameter., Comment: 17 pages, 6 figures, 4 tables, one idea

One-particle energy eigenfunctions are used to obtain quantum averages in many particle systems. These are based on the effective local field due to fixed neighbors in classical phase space, while the averages account for the non-commutativity of the position and momentum operators. Used in Monte Carlo simulations for a one-dimensional Lennard-Jones fluid, the results prove more reliable than a high temperature expansion and a harmonic local field approach, and at intermediate temperatures agree with benchmark numerical results. Results are presented for distinguishable particles, fermions, and bosons., Comment: 12 pages, 6 figures, 3 appendeces

The non-commutativity of the position and momentum operators is formulated as an effective potential in classical phase space and expanded as a series of successive many-body terms, with the pair term being dominant. A non-linear partial differential equation in temperature and space is given for this. The linear solution is obtained explicitly, which is valid at high and intermediate temperatures, or at low densities. An algorithm for solving the full non-linear problem is given. Symmetrization effects accounting for particle statistics are also written as a series of effective many-body potentials, of which the pair term is dominant at terrestrial densities. Casting these quantum functions as pair-wise additive, temperature-dependent, effective potentials enables the established techniques of classical statistical mechanics to be applied to quantum systems. The quantum Ornstein-Zernike equation is given as an example., Comment: 10 pages, 2 Figures. Numerical results now appended that cast doubt on the efficacy of the pair-terminated many-body expansion

Monte Carlo simulations are performed in classical phase space for a one-dimensional quantum harmonic crystal. Symmetrization effects for spinless bosons and fermions are quantified. The algorithm is tested for a range of parameters against exact results that use 20,000 energy levels. It is shown that the singlet mean field approximation is very accurate at high temperatures, and that the pair mean field approximation gives a systematic improvement in the intermediate and low temperature regime. The latter is derived from a cluster mean field approximation that accounts for the non-commutativity of position and momentum, and that can be applied in three dimensions., Comment: 10 pages, 5 figs, 4 sections. Total 19

Analytic expressions for the energy eigenvalues and eigenfunctions of a one-dimensional harmonic crystal are obtained. The average energy and density profiles are obtained numerically as a function of temperature. A surprisingly large number of energy levels (eg.\ 5,000 for 4 particles) are required for reliable results at even moderate temperatures., Comment: 9 pages, 5 sections, 5 figures. Total = 19. Erroneous wave function symmetrization results now removed

A Monte Carlo computer simulation algorithm in classical phase space is given for the treatment of quantum systems. The non-commutativity of position and momentum is accounted for by a mean field approach and instantaneous effective harmonic oscillators. Wave function symmetrization is included at the dimer and double dimer level. Quantitative tests are performed against benchmarks given by Hernando and Van\'i\v{c}ek (2013) for spinless neon--parahydrogen, modeled as interacting Lennard-Jones particles in a one dimensional harmonic trap. The mean field approach is shown to be quantitatively accurate for high to moderate temperatures $\beta \hbar \omega_\mathrm{LJ} < 7$, and moderate densities, $\rho \sigma \approx 1$. Results for helium show that at the lowest temperature studied, the average energy is about 4\% lower for bosons than for fermions. It is argued that the mean field algorithm will perform better in three dimensions than in one, and that it will scale sub-linearly with system size., Comment: 9 pages, 7 figures, 23 equations, 18 references

The von Neumann trace form of quantum statistical mechanics is transformed to an integral over classical phase space. Formally exact expressions for the resultant position-momentum commutation function are given. A loop expansion for wave function symmetrization is also given. The method is tested for quantum harmonic oscillators. For both the boson and fermion cases, the grand potential and the average energy obtained by numerical quadrature over classical phase space are shown to agree with the known analytic results. A mean field approximation is given which is suitable for condensed matter, and which allows the quantum statistical mechanics of interacting particles to be obtained in classical phase space., Comment: 13 pages, 4 figures, 52 references!

Quantum statistical mechanics is formulated as an integral over classical phase space. Some details of the commutation function for averages are discussed, as is the factorization of the symmetrization function used for the grand potential and for the multi-particle density. Three binary choices (eight routes) for the average energy are shown to be mutually consistent. An expression for the phase space function that gives the average virial pressure is derived., Comment: 10 pages

The shear viscosity of a Lennard-Jones fluid is obtained by stochastic dissipative molecular dynamics (SDMD) simulations. A generic constraint to the equations of motion is given that reduces the sensitivity of the shear viscosity to the value of the the fluctuation-dissipation or thermostat parameter. At high shear rates the shear viscosity becomes dependent on the size of the system, and corrections to the equipartition kinetic temperature arise. At constant kinetic temperature the shear viscosity is shown to decrease with increasing shear rate., Comment: 14 pages, 9 figures

The pointer states and preferred basis of the classical world are that of definite positions and momenta. Here it is shown that the reason for the absence of superposition states is the limited resolution with which observations or measurements are made., Comment: 8 pages

Quantum corrections to the classical pressure are obtained for Lennard-Jones models of argon, neon, and helium using classical Metropolis algorithm computer simulations. The corrections for non-commutativity are obtained to fourth order in Planck's constant. Compared to the classical virial pressure on all isotherms at liquid-like densities, the quantum correction is found to be ${\cal O}(10^{-2})$ for argon, ${\cal O}(10^{0})$ for neon, and ${\cal O}(10^{3})$ for helium. The first order correction due to wave function symmetrization is also obtained, but this is relatively negligible., Comment: 15 pages, 9 figures

The quantum states representing classical phase space are given, and these are used to formulate quantum statistical mechanics as a formally exact double perturbation expansion about classical statistical mechanics. One series of quantum contributions arises from the non-commutativity of the position and momentum operators. Although the formulation of the quantum states differs, the present results for separate averages of position operators and of momentum operators agree with Wigner (1932) and Kirkwood (1933). The second series arises from wave function symmetrization, and is given in terms of $l$-particle permutation loops in an infinite order re-summation. The series gives analytically the known exact result for the quantum ideal gas to all orders. The leading correction corrects a correction given by Kirkwood. The first four quantum corrections to the grand potential are calculated for a Lennard-Jones fluid using the hypernetted chain closure. For helium on liquid branch isotherms, the corrections range from several times to 1\% of the total classical pressure, with the effects of non-commutativity being significantly larger in magnitude than those of wave function symmetrization. All corrections are found to be negligible for argon at the densities and temperatures studied. The calculations are computationally trivial as the method avoids having to compute eigenfunctions, eigenvalues, and numerical symmetrization., Comment: 26 pages, 5 figures. Corrected Eqs 4.16--19, Fig. 2. Added appendix A. Added appendix B and some simulation results

An expansion for quantum statistical mechanics is derived that gives classical statistical mechanics as the leading term. Each quantum correction comes from successively larger permutation loops, which arise from the factorization of the symmetrization of the wave function with respect to localized particle interchange. Explicit application of the theory yields the full fugacity expansion for the quantum ideal gas, and the second fugacity coefficient for interacting quantum particles, which agree with known results. Compared to the Lee-Yang virial cluster expansion, the present expansion is expected to be more rapidly converging and the individual terms appear to be simpler to evaluate. The results obtained in this paper are intended for practical computer simulation algorithms for terrestrial condensed matter quantum systems., Comment: Quantum Physics. 40 pages. Version 2 clarifies Sec. IIB and App. A

It is shown that when the nanobubble contact line is pinned to a penetrating tip the interface behaves like a Hookean spring with spring constant proportional to the nanobubble surface tension. Atomic force microscope (AFM) data for several nanobubbles and solutions are analysed and yield surface tensions in the range 0.04--0.05 N/m (compared to 0.072 N/m for saturated water), and supersaturation ratios in the range 2--5. These are the first direct measurements of the surface tension of a supersaturated air-water interface. The results are consistent with recent theories of nanobubble size and stability, and with computer simulations of the surface tension of a supersaturated solution., Comment: 16 pages, 12 figures

The observed stability of nanobubbles contradicts the well-known result in classical nucleation theory, that the critical radius is both microscopic and thermodynamically unstable. Here nanoscopic stability is shown to be the combined result of two non-classical mechanisms. It is shown that the surface tension decreases with increasing supersaturation, and that this gives a nanoscopic critical radius. Whilst neither a free spherical bubble nor a hemispherical bubble mobile on an hydrophobic surface are stable, it is shown that an immobilized hemispherical bubble with a pinned contact rim is stable and that the total entropy is a maximum at the critical radius., Comment: 12 pages, 8 figures

The probability operator for a generic non-equilibrium quantum system is derived. The corresponding stochastic, dissipative Schr\"odinger equation is also given. The dissipative and stochastic propagators are linked by the fluctuation-dissipation theorem that is derived from the unitary condition on the time propagator. The dissipative propagator is derived from thermodynamic force and entropy fluctuation operators that are in general non-linear., Comment: 18 pages

A simple and transparent derivation of the formally exact probability distribution for classical non-equilibrium systems is given. The corresponding stochastic, dissipative equations of motion are also derived., Comment: 9 pages, 1 figure

Given are a first principles derivation and formulation of the probabilistic concepts that underly equilibrium quantum statistical mechanics. The transition to non-equilibrium probability is traversed briefly., Comment: 22 pages

The stochastic dissipative Schrodinger equation is derived for an open quantum system consisting of a sub-system able to exchange energy with a thermal reservoir. The resultant evolution of the wave function also gives the evolution of the density matrix, which is an explicit, stochastic form of the Lindblad master equation. A quantum fluctuation-dissipation theorem is also derived. The time correlation function is discussed., Comment: 17 pages. Corrections to reversibility term, to thermodynamic force, and to relevance of stationarity condition

The probability operator is derived from first principles for an equilibrium quantum system. It is also shown that the superposition states collapse into a mixture of states giving the conventional von Neumann trace form for the quantum average. The mechanism for the collapse is found to be quite general: it results from the conservation law for a conserved, exchangeable variable (such as energy) and the entanglement of the total system wave function that necessarily follows. The relevance of the present results to the einselection mechanism for decoherence, to the quantum measurement problem, and to the classical nature of the macroscopic world are discussed., Comment: 12 pages

Further improvements are made to the non-linear data analysis algorithm for the atomic force microscope [P. Attard, arXiv:1212.3019v2 (2012)]. The algorithm is required when there is curvature in the compliance region due to photo-diode non-linearity. Results are obtained for the hydrodynamic drainage force, for three surfaces: hydrophilic silica (symmetric, Si-Si), hydrophobic dichlorodimethylsilane (symmetric, DCDMS-DCDMS), and hydrophobic octadecyltrichlorosilane (asymmetric, Si-OTS). The drainage force was measured in the viscous liquid di-n-octylphthalate. The slip-lengths are found to be 3nm for Si, 2nm for DCDMS, and 2nm for OTS, with an uncertainty on the order of a nanometer. These slip lengths are a factor of 4--15 times smaller than those obtained from previous analysis of the same raw data [L. Zhu et al., Langmuir, 27, 6712 (2011). Ibid, 28, 7768 (2012)]., Comment: 18 pages, 11 figures (improved discussion of cantilever drag)

A spreadsheet algorithm is given for the atomic force microscope that accounts for non-linear behavior in the deflection of the cantilever and in the photo-diode response. In addition, the data analysis algorithm takes into account cantilever tilt, friction in contact, and base-line artifacts such as drift, virtual deflection, and non-zero force. These are important for accurate force measurement and also for calibration of the cantilever spring constant. The zero of separation is determined automatically, avoiding human intervention or bias. The method is illustrated by analyzing measured data for the silica-silica drainage force and slip length., Comment: 20 pages, 11 figures

It is shown that the standard expression for the information entropy, originally due to Shannon, is only valid for a particular set of states. For the general case of statistical mechanics, one needs to include an additional term in the expression for the entropy as a function of the probability. A simple derivation of the general formula is given., Comment: 4 pages

Several designs for micro-devices for chemotaxis based on nano-motors are proposed. The nano- or micro-motors are the conventional Janus rods or spheres that are powered by the catalytic reaction of fuels such as hydrogen peroxide. It is shown how these can be linked to make a device that can follow a concentration gradient of the fuel. The feasibility of assembling the devices using micromanipulation or metallic deposition is discussed. A possible design principle is suggested for a device that follows the concentration gradient of an analyte other than the fuel., Comment: 4 pages, 8 figures