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A general method for the direct evaluation of the temperature dependence of the quantum-mechanical reaction rate constant in many-dimensional systems is described. The method is based on the quantum instanton approximation for the rate…

Chemical Physics · Physics 2013-01-15 Marcin Buchowiecki , Jiri Vanicek

Accelerated cooling is a key technology in producing thermomechanically controlled processed (TMCP) steel plates. In a TMCP process hot plates are subjected to a strong cooling what results in a complex microstructure leading to increased…

Numerical Analysis · Mathematics 2019-12-30 Dimitri Rothermel , Thomas Schuster , Roland Schorr , Martin Peglow

Exploring and understanding the protein-folding problem has been a long-standing challenge in molecular biology. Here, using molecular dynamics simulation, we reveal how parallel distributed adjacent planar peptide groups of unfolded…

Biomolecules · Quantitative Biology 2019-01-11 Xiaoliang Ma , Chengyu Hou , Liping Shi , Long Li , Jiacheng Li , Lin Ye , Lin Yang , Xiaodong He

The thermodynamics with medium effects expressed by the dispersion relation of the temperature and density dependent particle mass is studied. Many previous treatments have been reviewed. A new thermodynamical treatment based on the…

Nuclear Theory · Physics 2007-05-23 Shaoyu Yin , Ru-Keng Su

A quantum system can undergo a continuous phase transition at the absolute zero of temperature as some parameter entering its Hamiltonian is varied. These transitions are particularly interesting for, in contrast to their classical finite…

Condensed Matter · Physics 2009-10-28 S. L. Sondhi , S. M. Girvin , J. P. Carini , D. Shahar

We solve a two dimensional model for polymer chain folding in the presence of mechanical pulling force ($f$) exactly using equilibrium statistical mechanics. Using analytically derived expression for the partition function we determine the…

Statistical Mechanics · Physics 2015-06-12 Himadri S Samanta , D. Thirumalai

We consider blocks of quantum spins in a chain at thermal equilibrium, focusing on their properties from a thermodynamical perspective. Whereas in classical systems the temperature behaves as an intensive magnitude, a deviation from this…

Quantum Physics · Physics 2015-05-13 A. Garcia-Saez , A. Ferraro , A. Acin

Kondo temperature is standardly defined from the local zero-temperature susceptibility in the regime of strong electron correlations as a new scale controlling the low-temperature asymptotics of thermodynamic quantities. We show by using a…

Strongly Correlated Electrons · Physics 2019-11-13 Václav Janiš , Antonín Klíč

I discuss the temperature dependence of quarkonium correlators calculated in lattice QCD. I show that the dominant source of the temperature dependence comes from the zero mode contribution, while the the temperature dependence associated…

High Energy Physics - Lattice · Physics 2009-07-22 P. Petreczky

Phase transitions which occur at zero temperature when some non-thermal parameter like pressure, chemical composition or magnetic field is changed are called quantum phase transitions. They are caused by quantum fluctuations which are a…

Statistical Mechanics · Physics 2007-05-23 Thomas Vojta

The thermodynamic dislocation theory developed for non-uniform plastic deformations is used here in an analysis of a bar subjected to torsion. Employing a small set of physics-based parameters, which we expect to be approximately…

Soft Condensed Matter · Physics 2019-01-02 K. C. Le , Y. Piao , T. M. Tran

The fission process is a fascinating phenomenon in which the atomic nucleus, a compact self-bound mesoscopic system, undergoes a spontaneous or induced quantum transition into two or more fragments. A predictive, accurate and precise…

Nuclear Theory · Physics 2019-10-10 J. Dobaczewski

We extend to finite temperature a Green's function method that was previously proposed to evaluate ground-state properties of mesoscopic clouds of non-interacting fermions moving under harmonic confinement in one dimension. By calculations…

Statistical Mechanics · Physics 2009-11-07 Z. Akdeniz , P. Vignolo , A. Minguzzi , M. P. Tosi

The fundamental law for protein folding is the Thermodynamic Principle: the amino acid sequence of a protein determines its native structure and the native structure has the minimum Gibbs free energy. If all chemical problems can be…

Biomolecules · Quantitative Biology 2012-04-10 Yi Fang

The analytic continuation to an imaginary velocity of the canonical partition function of a thermal system expressed in a moving frame has a natural implementation in the Euclidean path-integral formulation in terms of shifted boundary…

High Energy Physics - Lattice · Physics 2013-10-30 Leonardo Giusti , Harvey B. Meyer

Defects are crucial in determining the overall physical properties of semiconductors. Generally, the charge-state transition level (TEL), one of the key physical quantities that determines the dopability of defects in semiconductors, is…

Materials Science · Physics 2022-03-23 Shuang Qiao , Yu-Ning Wu , Xiaolan Yan , Bartomeu Monserrat , Su-Huai Wei , Bing Huang

The dynamics of open quantum systems connected with several reservoirs attract great attention due to its importance in quantum optics, biology, quantum thermodynamics, transport phenomena, etc. In many problems, the Born approximation is…

Quantum Physics · Physics 2023-12-20 I. V. Vovchenko , A. A. Zyablovsky , A. A. Pukhov , E. S. Andrianov

We have investigated the relaxational dynamics for a protein model at various temperatures. Theoretical analysis of this model in conjunction with numerical simulations suggests several relaxation regimes, including a single exponential, a…

Statistical Mechanics · Physics 2009-10-31 Maksim Skorobogatiy , Hong Guo , Martin Zuckermann

The protein dynamical transition is investigated as a function of protein structure using terahertz time domain spectroscopy (THz-TDS). Measurements performed for native state and denatured hen egg white lysozyme (HEWL) show that protein…

Biological Physics · Physics 2008-07-23 Yunfen He , Andrea G. Markelz

Protein folding, which dictates the protein structure from its amino acid sequence, is half a century old problem of biology. The function of the protein correlates with its structure, emphasizing the need of understanding protein folding…

Quantum Physics · Physics 2025-01-03 Jaya Vasavi P , Soham Bopardikar , Avinash D , Ashwini K , Kalyan Dasgupta , Sanjib Senapati