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Journal articles on the topic 'Free energy'

Author: Grafiati

Published: 4 June 2021

Last updated: 22 June 2024

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1

Seo, Jun-Hyung, Chul-Seoung Baek, Young-Jin Kim, Moon-Kwan Choi, Kye-Hong Cho, and Ji-Whan Ahn. "Study on the Free CaO Analysis of Coal Ash in the Domestic Circulating Fluidized Bed Combustion using ethylene glycol method." Journal of Energy Engineering 26, no. 1 (March 31, 2017): 1–8. http://dx.doi.org/10.5855/energy.2017.26.1.001.

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2

Logan, S. R. "Free Energy." Journal of Chemical Education 74, no. 1 (January 1997): 22. http://dx.doi.org/10.1021/ed074p22.2.

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3

Alekseenko, Sergey, Artur Bilsky, Vladimir Dulin, Boris Ilyushin, and Dmitriy Markovich. "TURBULENT ENERGY BALANCE IN FREE AND CONFINED JET FLOWS(Free and Confined Jet)." Proceedings of the International Conference on Jets, Wakes and Separated Flows (ICJWSF) 2005 (2005): 281–86. http://dx.doi.org/10.1299/jsmeicjwsf.2005.281.

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4

Ghodke, Jogendra, Siddharth Kadam, Mayur Kolhe, and Yogita More. "Free Energy Bike." International Journal of Innovations in Engineering and Science 6, no. 10 (August 17, 2021): 103. http://dx.doi.org/10.46335/ijies.2021.6.10.21.

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5

Pàmies, Pep. "Firmer free-energy." Nature Materials 14, no. 8 (July 23, 2015): 750. http://dx.doi.org/10.1038/nmat4383.

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6

MEZEI, M., and D. L. BEVERIDGE. "Free Energy Simulations." Annals of the New York Academy of Sciences 482, no. 1 Computer Simu (December 1986): 1–23. http://dx.doi.org/10.1111/j.1749-6632.1986.tb20933.x.

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7

Pfister, Charles. "Interface free energy." Scholarpedia 5, no. 2 (2010): 9218. http://dx.doi.org/10.4249/scholarpedia.9218.

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8

Schaefer, Alexander M., and Walter E. Block. "Free-Market Energy." Energy & Environment 23, no. 4 (June 2012): 647–55. http://dx.doi.org/10.1260/0958-305x.23.4.647.

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There should be no governmental energy policy, nor any department of energy, for that matter. All decisions concerning fuel, up to and including nuclear power, should be based on private property rights and the tenets of laissez faire capitalism. This would assure the proper assumption of risk and ideal resource allocation.

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9

Brézin, E., and C. De Dominicis. "Twist free energy." European Physical Journal B 24, no. 3 (December 2001): 353–58. http://dx.doi.org/10.1007/s10051-001-8684-3.

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10

Wales, David J., and Tetyana V. Bogdan. "Potential Energy and Free Energy Landscapes." Journal of Physical Chemistry B 110, no. 42 (October 2006): 20765–76. http://dx.doi.org/10.1021/jp0680544.

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11

A, Mary Joy Kinol, Asraf Hussain A R, Kowshick M, and Anbarasu S. "Energy Harvesting using Free Energy Sources." International Journal of Electronics and Communication Engineering 4, no. 3 (March 25, 2017): 1–3. http://dx.doi.org/10.14445/23488549/ijece-v4i3p101.

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12

Cuendet, Michel A., and Mark E. Tuckerman. "Free Energy Reconstruction from Metadynamics or Adiabatic Free Energy Dynamics Simulations." Journal of Chemical Theory and Computation 10, no. 8 (July 18, 2014): 2975–86. http://dx.doi.org/10.1021/ct500012b.

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13

Tanaka, Kazuyuki, and Tohru Morita. "Free Energy for Layered Free Fermion Models." Journal of the Physical Society of Japan 61, no. 1 (January 15, 1992): 92–101. http://dx.doi.org/10.1143/jpsj.61.92.

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14

Mathys, Christoph. "Playing with free energy." Neuropsychoanalysis 22, no. 1-2 (July 2, 2020): 81–82. http://dx.doi.org/10.1080/15294145.2021.1878615.

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15

Delhommelle, Jerome. "Free Energy Simulations III." Molecular Simulation 47, no. 5 (March 24, 2021): 378. http://dx.doi.org/10.1080/08927022.2021.1898145.

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16

Vaikuntanathan, Suriyanarayanan, and Christopher Jarzynski. "Escorted free energy simulations." Journal of Chemical Physics 134, no. 5 (February 7, 2011): 054107. http://dx.doi.org/10.1063/1.3544679.

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17

Westerhoff, H. V., and Y. Chen. "Stochastic free energy transduction." Proceedings of the National Academy of Sciences 82, no. 10 (May 1, 1985): 3222–26. http://dx.doi.org/10.1073/pnas.82.10.3222.

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18

Laio, A., and M. Parrinello. "Escaping free-energy minima." Proceedings of the National Academy of Sciences 99, no. 20 (September 23, 2002): 12562–66. http://dx.doi.org/10.1073/pnas.202427399.

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19

Zhou, Ting, and Amedeo Caflisch. "Free Energy Guided Sampling." Journal of Chemical Theory and Computation 8, no. 6 (May 4, 2012): 2134–40. http://dx.doi.org/10.1021/ct300147t.

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20

Zhou, Ting, and Amedeo Caflisch. "Free Energy Guided Sampling." Journal of Chemical Theory and Computation 8, no. 9 (August 13, 2012): 3423. http://dx.doi.org/10.1021/ct300670n.

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21

Treptow, Richard S. "Free energy: Treptow Replies." Journal of Chemical Education 74, no. 1 (January 1997): 22. http://dx.doi.org/10.1021/ed074p22.3.

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22

Wang, Hai-Yan, and Jing-Dong Bao. "Brownian free energy ratchets." Physica A: Statistical Mechanics and its Applications 323 (May 2003): 197–212. http://dx.doi.org/10.1016/s0378-4371(03)00031-1.

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23

Sutherland-Cash, K. H., D. J. Wales, and D. Chakrabarti. "Free energy basin-hopping." Chemical Physics Letters 625 (April 2015): 1–4. http://dx.doi.org/10.1016/j.cplett.2015.02.015.

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24

Khakhel’, O. A. "Linear free-energy relationship." Chemical Physics Letters 421, no. 4-6 (April 2006): 464–68. http://dx.doi.org/10.1016/j.cplett.2006.01.084.

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25

Soloveichik, Grigorii L. "Metal-free energy storage." Nature 505, no. 7482 (January 2014): 163–64. http://dx.doi.org/10.1038/505163a.

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26

Shoichet, Brian K. "No free energy lunch." Nature Biotechnology 25, no. 10 (October 2007): 1109–10. http://dx.doi.org/10.1038/nbt1007-1109.

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27

Sweet, W., and E. A. Bretz. "Toward carbon free energy." IEEE Spectrum 36, no. 11 (November 1999): 28–33. http://dx.doi.org/10.1109/6.803586.

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28

Lovett, Ronald, and Marc Baus. "The free energy density." Physica A: Statistical Mechanics and its Applications 196, no. 3 (June 1993): 368–74. http://dx.doi.org/10.1016/0378-4371(93)90202-f.

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29

Andrew McCammon, J. "Free energy from simulations." Current Opinion in Structural Biology 1, no. 2 (April 1991): 196–200. http://dx.doi.org/10.1016/0959-440x(91)90061-w.

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30

Molodets, A. M. "Free energy of diamond." Combustion, Explosion, and Shock Waves 34, no. 4 (July 1998): 453–59. http://dx.doi.org/10.1007/bf02675615.

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31

van Gunsteren, Wilfred F, Xavier Daura, and Alan E Mark. "Computation of Free Energy." Helvetica Chimica Acta 85, no. 10 (October 2002): 3113–29. http://dx.doi.org/10.1002/1522-2675(200210)85:10<3113::aid-hlca3113>3.0.co;2-0.

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32

Jańczuk, B., A. Zdziennicka, K. Jurkiewicz, and W. Wócik. "The surface free energy and free energy of adsorption of cetyltrimethylammonium bromide." Tenside Surfactants Detergents 35, no. 3 (May 1, 1998): 213–17. http://dx.doi.org/10.1515/tsd-1998-350315.

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33

Ibrahim, Tarek, Farouk Hachem, Mohamad Ramadan, Jalal Faraj, Georges El Achkar, and Mahmoud Khaled. "Cooling PV panels by free and forced convections: Experiments and comparative study." AIMS Energy 11, no. 5 (2023): 774–94. http://dx.doi.org/10.3934/energy.2023038.

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<abstract> <p>This work concerns a comparative experimental study of cooling PV panels by free and forced convection and using finned plates. To this end, four prototypes are considered: the first one with a PV panel alone without cooling techniques, the second one consists of a PV panel with a rectangular finned plate attached to its rear surface and cooled by free convection, a third prototype consists of a PV panel cooled by forced convection by three axial-flow fans and a fourth prototype consists of a PV panel with a rectangular finned plate attached to its rear surface and cooled by forced convection by three axial-flow fans. Results showed an increase of 3.01% in the efficiency of the PV panel with finned plate under forced convection, an increase of 2.55% in the efficiency of the PV panel with finned plate under free convection and an increase of 2.10% in the efficiency of the PV panel under forced convection. Economic and environmental studies are also conducted and estimations of savings per year and amount of carbon dioxide emission reductions are provided.</p> </abstract>

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34

Dietschreit, Johannes C. B., Dennis J. Diestler, Andreas Hulm, Christian Ochsenfeld, and Rafael Gómez-Bombarelli. "From free-energy profiles to activation free energies." Journal of Chemical Physics 157, no. 8 (August 28, 2022): 084113. http://dx.doi.org/10.1063/5.0102075.

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Given a chemical reaction going from reactant (R) to the product (P) on a potential energy surface (PES) and a collective variable (CV) discriminating between R and P, we define the free-energy profile (FEP) as the logarithm of the marginal Boltzmann distribution of the CV. This FEP is not a true free energy. Nevertheless, it is common to treat the FEP as the “free-energy” analog of the minimum potential energy path and to take the activation free energy, [Formula: see text], as the difference between the maximum at the transition state and the minimum at R. We show that this approximation can result in large errors. The FEP depends on the CV and is, therefore, not unique. For the same reaction, different discriminating CVs can yield different [Formula: see text]. We derive an exact expression for the activation free energy that avoids this ambiguity. We find [Formula: see text] to be a combination of the probability of the system being in the reactant state, the probability density on the dividing surface, and the thermal de Broglie wavelength associated with the transition. We apply our formalism to simple analytic models and realistic chemical systems and show that the FEP-based approximation applies only at low temperatures for CVs with a small effective mass. Most chemical reactions occur on complex, high-dimensional PES that cannot be treated analytically and pose the added challenge of choosing a good CV. We study the influence of that choice and find that, while the reaction free energy is largely unaffected, [Formula: see text] is quite sensitive.

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35

Miller, Christopher. "Model-free free energy for voltage-gated channels." Journal of General Physiology 139, no. 1 (December 12, 2011): 1–2. http://dx.doi.org/10.1085/jgp.201110745.

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36

Rashid, M. Harunur, Germano Heinzelmann, and Serdar Kuyucak. "Calculation of free energy changes due to mutations from alchemical free energy simulations." Journal of Theoretical and Computational Chemistry 14, no. 03 (May 2015): 1550023. http://dx.doi.org/10.1142/s0219633615500236.

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How a mutation affects the binding free energy of a ligand is a fundamental problem in molecular biology/biochemistry with many applications in pharmacology and biotechnology, e.g. design of drugs and enzymes. Free energy change due to a mutation can be determined most accurately by performing alchemical free energy calculations in molecular dynamics (MD) simulations. Here we discuss the necessary conditions for success of free energy calculations using toxin peptides that bind to ion channels as examples. We show that preservation of the binding mode is an essential requirement but this condition is not always satisfied, especially when the mutation involves a charged residue. Otherwise problems with accuracy of results encountered in mutation of charged residues can be overcome by performing the mutation on the ligand in the binding site and bulk simultaneously and in the same system. The proposed method will be useful in improving the affinity and selectivity profiles of drug leads and enzymes via computational design and protein engineering.

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37

Ngo, Son Tung, Trung Hai Nguyen, Nguyen Thanh Tung, Pham Cam Nam, Khanh B. Vu, and Van V. Vu. "Oversampling Free Energy Perturbation Simulation in Determination of the Ligand‐Binding Free Energy." Journal of Computational Chemistry 41, no. 7 (December 16, 2019): 611–18. http://dx.doi.org/10.1002/jcc.26130.

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38

Müller, Ingo. "Miscellania about Entropy, Energy, and Available Free Energy." Symmetry 2, no. 2 (April 19, 2010): 916–34. http://dx.doi.org/10.3390/sym2020916.

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39

Holian, Brad Lee, H. A. Posch, and W. G. Hoover. "Free energy via thermostatted dynamic potential-energy changes." Physical Review E 47, no. 6 (June 1, 1993): 3852–61. http://dx.doi.org/10.1103/physreve.47.3852.

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40

Bigerelle, Maxence, Hisham A. Abdel Aal, and Alain Iost. "Relation between entropy, free energy and computational energy." International Journal of Materials and Product Technology 38, no. 1 (2010): 35. http://dx.doi.org/10.1504/ijmpt.2010.031893.

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41

Tagawa, Fumitaka, and Takashi Odagaki. "Nonlinear Energy Response in Free Energy Landscape Picture." Journal of the Physical Society of Japan 75, no. 12 (December 15, 2006): 124003. http://dx.doi.org/10.1143/jpsj.75.124003.

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42

Raineri *, Fernando O., George Stell, and Dor Ben-Amotz. "New mean-energy formulae for free energy differences." Molecular Physics 103, no. 21-23 (November 10, 2005): 3209–21. http://dx.doi.org/10.1080/00268970500298980.

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43

Zhang, Ji. "Free Energy of Damaged Solids." Advanced Materials Research 1049-1050 (October 2014): 1741–46. http://dx.doi.org/10.4028/www.scientific.net/amr.1049-1050.1741.

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This paper examines the free energy potentials of damaged solids for the construction of damage mechanics constitutive models. The physical meaning of free energy in solid mechanics is analyzed in contrast with that in traditional fields of thermodynamics; 1D stress-strain curves are used to show the relationships between various thermodynamic state functions in isothermal loading processes; and the role of plastic free energy in damage evolution is discussed both macroscopically and microscopically. It is concluded that plastic free energy, which is a macroscopic representation of some additional microscopic elastic energy, cannot do work during unloading but get released when damage takes place, constituting part of the driving force for damage evolution.

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44

Baez, John C. "Rényi Entropy and Free Energy." Entropy 24, no. 5 (May 16, 2022): 706. http://dx.doi.org/10.3390/e24050706.

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The Rényi entropy is a generalization of the usual concept of entropy which depends on a parameter q. In fact, Rényi entropy is closely related to free energy. Suppose we start with a system in thermal equilibrium and then suddenly divide the temperature by q. Then the maximum amount of work the system can perform as it moves to equilibrium at the new temperature divided by the change in temperature equals the system’s Rényi entropy in its original state. This result applies to both classical and quantum systems. Mathematically, we can express this result as follows: the Rényi entropy of a system in thermal equilibrium is without the ‘q−1-derivative’ of its free energy with respect to the temperature. This shows that Rényi entropy is a q-deformation of the usual concept of entropy.

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45

Friston, Karl, and Ping Ao. "Free Energy, Value, and Attractors." Computational and Mathematical Methods in Medicine 2012 (2012): 1–27. http://dx.doi.org/10.1155/2012/937860.

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It has been suggested recently that action and perception can be understood as minimising the free energy of sensory samples. This ensures that agents sample the environment to maximise the evidence for their model of the world, such that exchanges with the environment are predictable and adaptive. However, the free energy account does not invoke reward or cost-functions from reinforcement-learning and optimal control theory. We therefore ask whether reward is necessary to explain adaptive behaviour. The free energy formulation uses ideas from statistical physics to explain action in terms of minimising sensory surprise. Conversely, reinforcement-learning has its roots in behaviourism and engineering and assumes that agents optimise a policy to maximise future reward. This paper tries to connect the two formulations and concludes that optimal policies correspond to empirical priors on the trajectories of hidden environmental states, which compel agents to seek out the (valuable) states they expect to encounter.

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46

Simonson, Thomas. "Free energy of particle insertion." Molecular Physics 80, no. 2 (October 10, 1993): 441–47. http://dx.doi.org/10.1080/00268979300102371.

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47

Strekalov, D. V., T. B. Pittman, A. V. Sergienko, Y. H. Shih, and P. G. Kwiat. "Postselection-free energy-time entanglement." Physical Review A 54, no. 1 (July 1, 1996): R1—R4. http://dx.doi.org/10.1103/physreva.54.r1.

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48

&NA;. "Free Communication/Poster - Energy Expenditure." Medicine & Science in Sports & Exercise 40, Supplement (May 2008): 51. http://dx.doi.org/10.1249/01.mss.0000321085.13222.2e.

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49

&NA;. "Free Communication/Poster - Energy Balance." Medicine & Science in Sports & Exercise 40, Supplement (May 2008): 69. http://dx.doi.org/10.1249/01.mss.0000321379.63551.02.

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50

McCammon, J. Andrew, Benoit Roux, Gregory Voth, and Wei Yang. "Special Issue on Free Energy." Journal of Chemical Theory and Computation 10, no. 7 (July 8, 2014): 2631. http://dx.doi.org/10.1021/ct500366u.

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