Thermodynamics - Science topic

‘Perpetual motion’ is a hypothetical type of motion which continues forever without any external energy input contributing to this system. Students should know that this is generally impossible because of energy losses due to friction or other non-conservative forces, or because some assumption has been made which violates the first or second law o...

In this paper, the effects of diluted gas (N2, CO2) on the pressure and time parameters of hydrogen explosion are tested by experiments. The combustion heat loss and thermodynamic state parameters during combustion were also calculated. The results show that as the diluent gas content increases, the maximum hydrogen explosion pressure decreases, an...

We present a novel constitutive model capable of describing non-linear anisotropic fibre-reinforced materials with different responses in tension and compression under a general stress state. The model is based on the original one-dimensional Ramberg-Osgood model, which is generalized to a multiaxial stress state and anisotropic material behaviour...

The behavior and critical properties of fluids confined in nanoscale porous media differ from those of bulk fluids. This is well known as critical shift phenomenon or pore proximity effect among researchers. Fundamentals of critical shift modeling commenced with developing equations of state (EOS) based on the Lennard–Jones (L–J) potential function...

Consciousness appears to be an emergent property of some complex , nonlinear system in the brain. According to the integrated information theory of consciousness (IIT), a complex system composed of numerous integrated processing elements can be conscious due to the existence of a global, system-level integration of that complexity, which is associa...

Thermodynamics embraces both the concepts of entropy and enthalpy. Strangely, both concepts express work done by an expanding system in terms of W=PdV, without providing the necessary clarity concerning what PdV actually represents. In this report, we shall discuss that such work is external to the expanding system. This means that one should quest...

This paper introduces a top-down approach in Data Envelopment Analysis (DEA) for preliminary scenario assessments prior to the bottom-up ones, which can be time-consuming for gleaning all the necessary data. One uses the concepts of environment, conservative system, and entropy to model the equilibrium constraints of the input-output analysis (IO A...

On the basis of homogeneous and isotropic Friedmann-Lemaitre-Robertson-Walker (FLRW) geometry, solutions to the issues of cosmic acceleration and dark energy are being put forth within the context of f (Q) gravity. We take into account a power law f (Q) model using f (Q) = αQ n , where α and n are free model parameters. In the current scenario, we...

The principle of microscopic reversibility says that in equilibrium, two-time cross-correlations are symmetric under the exchange of observables. Thus, the asymmetry of cross-correlations is a fundamental, measurable, and often-used statistical signature of deviation from equilibrium. We find a simple and universal inequality between the magnitude...

In this chapter the coupling to solute concentration in an alloy is reviewed. During transformation the concentration between the phases must be redistributed, causing solute diffusion. First different approached to handle this problem are discussed comparatively. Special emphasis is given to the problem of scale in a mesoscopic phase field model....

In this chapter the coupling of the phase field to a second, external field is discussed for the case of non-isothermal systems. A thermodynamic consistent derivation of the set of equations for the phase-field and temperature field is presented, starting from an entropy functional. In the second part of the chapter the systematic error, which aris...

It is not possible to decompose generic thermal operations into combinations and concatenations of simpler thermal processes that only manipulate selected system energy levels. This creates a hindrance in providing realistically-implementable protocols to reach all thermodynamic state transitions. However, in this work we show that the recycling of...

The selective reduction of α,β-unsaturated carbonyl compounds is one of the core reactions and also a difficult task for organic synthesis. We have been attempting to study the thermodynamic data of these compounds to create a theoretical basis for organic synthesis and computational chemistry. By electrochemical measurement method and titration ca...

The thermodynamical conditions and the neutron density produced in a laser-induced implosion of a deuterium-tritium (DT) filled capsule at the National Ignition Facility (NIF) are the closest laboratory analog of stellar conditions. We plan to investigate neutron-induced reactions on ⁴⁰Ar, namely the ⁴⁰Ar(n, 2n)³⁹Ar(t1/2 =268 y), the ⁴⁰Ar(n, γ)⁴¹Ar...

We develop a resource-theoretic framework that allows one to bridge the gap between two approaches to quantum thermodynamics based on Markovian thermal processes (which model memoryless dynamics) and thermal operations (which model arbitrarily non-Markovian dynamics). Our approach is built on the notion of memory-assisted Markovian thermal processe...

The real- and imaginary-time evolution of quantum states are powerful tools in physics and chemistry to investigate quantum dynamics, prepare ground states or calculate thermodynamic observables. They also find applications in wider fields such as quantum machine learning or optimization. On near-term devices, variational quantum time evolution is...

In our previous work, we obtained the uniformly valid asymptotic solution of a cylindrical rod eutectic. In order to further study the critical point of the stable growth of a rod eutectic, we have considered the unsteady growth of a rod eutectic on the basis of the steady solution of the rod eutectic. Based on the experimental system of rod eutect...

Realizing the limitations of classical phase-field fracture models and the need for the development of non-local phase-field models that can capture the experimentally observed size effects in brittle and quasi-brittle materials, we propose thermodynamically consistent volumetric-deviatoric and spectral decomposition-based phase-field models (PFMs)...

An historical overview covering the field of electroanalytical metal cations speciation in freshwaters is presented here, detailing both the notable experimental and theoretical developments. Then, a critical review of the progress in the last five years is given, underlining in particular the improvements in electrochemical setups and methodologie...

We develop inductive biases for the machine learning of complex physical systems based on the port-Hamiltonian formalism. To satisfy by construction the principles of thermodynamics in the learned physics (conservation of energy, non-negative entropy production), we modify accordingly the port-Hamiltonian formalism so as to achieve a port-metriplec...

Ao se analisar a teoria da complexidade é fundamental distingui-la da teoria do caos. Esta última tem por base a noção de atrator que emerge no berço clássico da Física e do determinismo filosófico. De acordo com Bauer (1999), durante a Idade Média, as concepções de mundo predominantes excluíam a noção de mudança, sendo que as sociedades eram tidas...

We study the near horizon 2D gravity theory which captures the near extremal thermodynamics of Banados-Teitelboim-Zanelli (BTZ) with excess mass δM and excess angular momentum δJ=LδM over extremality. We find that the Jackiw-Teitelboim theory is able to capture such departures from extremality with an additional parameter L relating it to the near...

The Carnot cycle causes heat to transfer from low to high temperatures without consuming external energy. and the second law of thermodynamics is overturned。

Entropy production (EP) is a key quantity in thermodynamics, and yet measuring EP has remained a challenging task. Here we introduce an EP estimator, called multidimensional entropic bound (MEB), utilizing an ensemble of trajectories. The MEB can accurately estimate the EP of overdamped Langevin systems with an arbitrary time-dependent protocol. Mo...

We report first-principles investigations of the light-element effect on phonon states in neodymium-magnet compounds. It is found that B in [Formula: see text]B contributes to acoustic phonon hardening. As for the substitution of other light elements for B, frequencies of phonons that originate from light elements decrease with increasing the atomi...

This work presents a study on the surface tension of liquid Aluminum–Nickel (Al–Ni) alloys. Obtaining adequate values of surface tension for this system is not a simple task as these alloys present the formation of atomic clusters with short-range order at certain compositions, which dramatically influences surface tension. The Compound Forming Mod...

The dissipation in an irreversible step process is reduced when the number of steps is increased in any refinement of the steps in the process. This is a consequence of the ladder theorem, which states that, for any irreversible process proceeding by a sequence of relaxations, dividing any relaxation step into two will result in a new sequence that...

Using grand canonical thermodynamic analysis with inputs from DFT calculations we calculated equilibrium molar fractions of copper vacancies (VCu), H interstitials (Hi) and their complexes in bulk Cu in a wide range of temperature and hydrogen pressure values. The results show that the equilibrium molar fractions of both VCu and Hi are low in most...

Atmospheric circulation monthly anomalies over the Ural region are key indicators of Eurasian climate anomalies. Here, whether there exists a one-to-two correspondence relationship that generally agrees with the supercritical pitchfork bifurcation model, referred to as a pitchfork-like relationship, between reduced sea ice concentration (SIC) in th...

High-resolution submillimeter observations of protoplanetary disks with ALMA have revealed that dust rings are common in large, bright disks. The leading explanation for these structures is dust trapping in a local gas pressure maximum, caused by an embedded planet or other dynamical process. Independent of origin, such dust traps should be stable...

This article examines the long-term rise of human civilization in terms of the emergence of socio-physical dissipative structures, including cities, agricultural systems, infrastructure and relevant economic enterprises. The laws of thermodynamics, the Principle of Least Time, and the phenomena of complexity and emergence are briefly reviewed and a...

The unusual volumetric properties of both proteated and deuterated water are explored by carefully comparing their volumetric properties and developing a heuristic molecular model to describe the behavior. The behavior is further explored by relating these properties to other well-known thermodynamic properties.

The branching of an RNA molecule is an important structural characteristic yet difficult to predict correctly, especially for longer sequences. Using plane trees as a combinatorial model for RNA folding, we consider the thermodynamic cost, known as the barrier height, of transitioning between branching configurations. Using branching skew as a coar...

Using a comprehensive structure search and high-throughput first-principles calculations of 1483 compounds, this study presents the phase diagram of Lu-H-N. The formation energy landscape of Lu-H-N was derived and utilized to assess the thermodynamic stability of compounds. Results indicate that there are no stable Lu-H-N ternary structures in this...

We summarise the present status of the gravitational wave detectors on the Earth.Then, we discuss some of the most intriguing results obtained during the last data collection O3. We will focus on the statistical distributionof the population of these compact objects and we will discuss a couple of potential tests to be carried on the on the Bekenst...

A robust mathematical model is developed for prediction and optimization of syngas in a downdraft gasifier. The gasifier is modelled for two distinct zones i.e. pyro-oxidation zone (zone I) and reduction zone (zone II). A thermodynamic equilibrium model is implemented for the prediction of syngas composition in zone I, while zone II is modelled by...

We investigate the cosmological evolution of the Barrow holographic dark energy (BHDE) model in a non-flat universe using the FRW-metric with open and closed geometries. As a result, we use the dark energy density parameter, the deceleration parameter, and the equation of state (EoS) parameter to study cosmic evolution. We show that with the evolut...

Close to equilibrium, the kinetic coefficients of a thermodynamic system must satisfy a set of symmetry conditions, which follow from the Onsager-Casimir principle. Here, we show that, if a system of hydrodynamic equations is analyzed from the perspective of the Onsager-Casimir principle, then it is possible to impose very strong symmetry condition...

In this work, the electron-induced reaction of acrylic acid was studied using an FT-ICR-Mass spectrometer and DFT calculations at M06-2X/aug-cc-pVTZ level of theory. The experiments showed the formation of acrylic acid trimer after 40 seconds as the major product. In the theoretical part, the structures and energies of various intermediates, transi...

Nuclear power plant steam generator (SG) tubes contain nickel as the main alloying element and there is concern about their corrosion. We optimized models for calculating the high-temperature and high-pressure thermodynamic properties of common nuclear alloy elements and then, calculated the E-pH diagrams for nickel in different concentrations of a...

We use a coupled thermodynamically consistent framework to model reactive chemo-mechanical responses of solid solutions. Specifically, we focus on chemically active solid solutions that are subject to mechanical effects due to heterogeneous stress distributions. The stress generation process is driven solely by volume changes associated with the ch...

The intriguing experimental results regarding the synthesis and structure types adopted by binary InPd3 have been fundamentally addressed using first-principles density functional theory calculations. Longer annealing time at higher temperature leads to stronger and more optimized heteroatomic In-Pd contacts that result in the extended ordering bet...

Improved oxidation kinetics for a polycrystalline Ni-based superalloy used in turbine disc applications has been shown to be possible by controlling the heating rate of the first thermal exposure to 5°C min − 1 . The beneficial effect arises from the formation of a protective layer of NiCr 2 O 4 , instead of the more usually formed doped Cr 2 O 3 ....

Political polarization has become an alarming trend observed in various countries. In the effort to produce more consistent simulations of the process, insights from the foundations of physics are adopted. The work presented here looks at a simple model of political polarization amongst agents which influence their immediate locality and how a entr...

The adsorption characteristics of calcareous sand for heavy metals Pb(II), Cu(II) and Cd(II) have been studied by batch testing in this study. The influence of the solid–liquid ratio, initial pH 0 value, ionic strength, reaction time, temperature and initial concentration on adsorption has been investigated. Test results indicate that the initial p...

We analyze a crossover between ergodic and nonergodic regimes in an interacting spin chain with a dilute density of impurities, defined as spins with a strong local field. The dilute limit allows us to unravel some finite size effects and propose a mechanism for the delocalization of these impurities in the thermodynamic limit. In particular, we sh...

Cyclocarbons are rings of carbon atoms, often formed as gas-phase carbon clusters. The only cyclocarbons yet to be well characterized are C10 and C18, which are doubly aromatic with 4n+2 carbon atoms (where n is an integer), resulting in enhanced thermodynamic stability. Cyclocarbons with 4n atoms have been predicted to be less stable and doubly an...

We present the method of direct van der Waals simulation (DVS) to study computationally flows with liquid-vapor phase transformations. Our approach is based on a discretization of the Navier-Stokes-Korteweg equations, which couple flow dynamics with van der Waals’ nonequilibrium thermodynamic theory of phase transformations, and opens an opportunit...

We investigate stochastic entropy production in a two-level quantum system that performs Rabi oscillations while undergoing quantum measurement brought about by continuous random disturbance by an external measuring device or environment. The dynamics produce quantum Zeno and anti-Zeno effects for certain measurement regimes, and the stochastic ent...

Gradients in temperature and particle concentration fuel many processes in the physical and biological world. In the present work we study a thermodynamic engine powered by anisotropic thermal excitation (that may be due to e.g., a temperature gradient), and draw parallels with the well-known principle of impedance matching in circuit theory, where...

The Ising model on a $restricted$ scale-free network (SFN) has been studied employing Monte Carlo simulations. This network is described by a power-law degree distribution in the form $P(k)~k^{-\alpha}$, and is called restricted, because independently of the network size, we always have fixed the maximum $k_{m}$ and a minimum $k_{0}$ degree on dist...

In the present paper, we have studied analytically the thermodynamic properties of diatomic molecules like LiH, HCl and H2 and compared calculated properties with experimental data. In this regard, we have solved the Schrödinger equation with Hulthén plus screened Kratzer potential using the Nikiforov–Uvarov method and obtained energy eigenvalues....

Laves phases often form as secondary phases in metallic alloys and have a significant effect on their structural properties. Thus, phase stability studies for these chemically and structurally complex phases in addition to mechanical behavior studies are of great interest. In this work, we use the concept of metastable bulk phase and defect phase d...

String stars, or Horowitz-Polchinski solutions, are Euclidean string theory saddles with a normalizable condensate of thermal winding strings. String stars were suggested as a possible description of stringy (Euclidean) black holes close to the Hagedorn temperature. In this work, we continue the study initiated in arXiv:2202.06966 by investigating...

The concept of energy is still an open question. Richard Feynman, Nobel prize in Physics, said in his lectures in the 60's that, besides recent developments in Physics, we really don't know what energy is. Other physicists, 'members of energy in the world have pointed out the same difficulty. In this paper, I demonstrate that energy is a relative e...

Organic/inorganic interfaces are known to exhibit rich polymorphism, where different polymorphs often possess significantly different properties. Which polymorph forms during an experiment depends strongly on environmental parameters such as deposition temperature and partial pressure of the molecule to be adsorbed. To prepare desired polymorphs th...

We classify origin limits of maximally helicity violating multigluon scattering amplitudes in planar N=4 super-Yang-Mills theory, where a large number of cross ratios approach zero, with the help of cluster algebras. By analyzing existing perturbative data and bootstrapping new data, we provide evidence that the amplitudes become the exponential of...

Light-nuclei production in relativistic heavy-ion collisions is simulated within an updated Three-fluid Hydrodynamics-based Event Simulator Extended by UrQMD (Ultra-relativistic Quantum Molecular Dynamics) final State interactions (THESEUS). The simulations are performed in the collision energy range of sNN= 6.4–19.6 GeV. The light-nuclei are produ...

An important step to incorporate information in the second law of thermodynamics was done by Landauer, showing that the erasure of information implies an increase in heat. Most attempts to justify Landauer’s erasure principle are based on thermodynamic argumentations. Here, using just the time-reversibility of classical microscopic laws, we identif...

Airplane engines are considered one of the most advanced technologies. Tezzit, a deep tech company, researched thermodynamic theories and found an inconsistency regarding optimizing the energy efficiency of gas turbine engines. The Carnot Paradox was introduced to highlight an error in the thermodynamic theory. A phenomenon was discovered that unti...

The ground state of spin-$1\over 2$ fermions with contact $s$-wave inter- and $p$-wave intra-species interactions is discussed. Particularly, we formulate the mean field scheme for calculating thermodynamic properties of the system in arbitrary dimension $D<2$ and discuss in detail the phase diagram in 1D case. Except clean phases with either singl...

The Newman-Janis technique and the semi-classical Hamilton-Jacobi approach are two distinct phenomena that we apply in this paper to examine the Hawking temperature $(T_{H})$ for $4$-dimensional gauge super gravity like black hole with rotation parameters. First, using the Newman-Janis algorithmic approach, we compute the gauge super gravity like b...

The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground-state energies in finite cells are determined using Slater-Jastrow-backflow trial wave functions, and finite-size errors are removed using twist...

Thermodynamics of liquid water in terms of a non-standard approach—the ion–molecular model—is considered. Water is represented as a dense gas of neutral H2O molecules and single charged H3O+ and OH− ions. The molecules and ions perform thermal collisional motion and interconvert due to ion exchange. The energy-rich process—vibrations of an ion in a...

The measurement of values of apparent equilibrium constants K′ for enzyme-catalyzed reactions involve a substantial number of critical details, neglect of which could lead to systematic errors. Here, interferences, impurities in the substances used, and failure to achieve equilibrium are matters of substantial consequence. Careful reporting of resu...

We consider a situation where an N-level system (NLS) is coupled successively to two heat baths with different temperatures without being necessarily thermalized and approaches a steady state. For this situation we apply a general Jarzynski-type equation and conclude that heat and entropy is flowing from the hot bath to the cold one. The Clausius r...

Electrospinning technology is famous for its simple preparation, and accurate and easy control of process parameters. It is widely used in ultrafine filtration membrane and biological tissue engineering support. Polycaprolactone (PCL) and poly(butylene succinate) (PBS) have good biocompatibility and are commonly used materials in electrospinning. I...

Correction for 'Noncovalent wedging effect catalyzed the cis to syn transformation of a surface-adsorbed polymer backbone toward an unusual thermodynamically stable supramolecular product' by Zhi-Xuan Liu et al., Phys. Chem. Chem. Phys., 2022, 24, 30010-30016, https://doi.org/10.1039/D2CP04184G.

Dislocation source-limited hardening and ductilization is an effective strategy to obtain superior strength-ductility synergy in some engineering structural metals. Recent works demonstrated that the synergy could be enhanced by grain-size reduction. However, the mechanism of grain-size dependence is still a mystery. In this work, bulk pure Ni prod...

In this work, we studied the oxidation stability of h−BN by investigating different variants of its modification by −OH, −O− and −O−O− groups using an atomistic thermodynamics approach. We showed that up to temperatures of ~1700 K, oxygen is deposited on the surface of hexagonal boron nitride without dissociation, in the form of peroxide. Only at h...