Failure of the free energy relation under a non-Markovian heat bath temperature change

We investigate the free energy relation for a system contacting with a non-Markovian heat bath and find that the validity of the relation sensitively depends on the non-Markovian memory effect, which is especially related go the initial preparation effect. This memory effect drives the statistical distribution of the system out of the initial preparation, even if the system starts from an equilibrium state. This leads to the violation of the free energy relation. A possible way of eliminating this memory effect is proposed.

Critical Behavior of the Energy Gap and Its Relation with the Berry Phase Close to the Excited State Quantum Phase Transition in the Lipkin Model

In our previous work [Phys. Rev. A 85 （2012） 044102], we studied the Berry phase of the ground state and exited states in the Lipkin model. In this work, using the Hellmann-Feynman theorem, we derive the relation between the energy gap and the Berry phase closed to the excited state quantum phase transition （ESQPT） in the Lipkin model. It is found that the energy gap is approximately linearly dependent on the Berry phase being closed to the ESQPT for large N. As a result, the critical behavior of the energy gap is similar to that of the Berry phase. In addition, we also perform a semiclassical qualitative analysis about the critical behavior of the energy gap.

Relations Between Stabilities and Structures of Closo Borane Dianions

An effective method to investigate the stabilities of a series of new closo-BnHn2- （n = 12, 14, 16, 18, 20, 22, 24, 30） was put forward with the aid of G96PW91/SHC calculations. Stabilities are related to the relative stabilized energies （RSE） and the 2e3c bound geometries of closo-BnHn2-. The structures in which a boron atom connects to four atoms up to seven are stable and appear in many borides because of the lower relative stabilized energy. In geometries, both triangular and quadrangular faces are in favor of forming the structures of closo-BnHn2-. The energies of optimized geometries support the existence of these new compounds. By employing both RSE and AE per boron atom in cage, the stabilities were studied to predict the probabilities of unknown clusters in existence. The electron-deficient clusters can be understood that the positive holes should be disperse to every triangular face and lead to share the holes, wherever there are not enough electrons to occupy them. The negative charges which anions carry distribute to 2e3c bonds to increase the stabilities.

Relative energy zero ratio-based approach for identifying pulse-like ground motions

Pulse-like ground motions are capable of inflicting significant damage to structures. Efficient classification of pulse-like ground motion is of great importance when performing the seismic assessment in near-fault regions. In this study, a new method for identifying the velocity pulses is proposed, based on different trends of two parameters: the short-time energy and the short-time zero crossing rate of a ground motion record. A new pulse indicator, the relative energy zero ratio(REZR), is defined to qualitatively identify pulse-like features. The threshold for pulse-like ground motions is derived and compared with two other identification methods through statistical analysis. The proposed procedure not only shows good accuracy and efficiency when identifying pulse-like ground motions but also exhibits good performance for classifying records with high-frequency noise and discontinuous pulses. The REZR method does not require a waveform formula to express and fit the potential velocity pulses;it is a purely signal-based classification method. Finally, the proposed procedure is used to evaluate the contribution of pulse-like motions to the total input energy of a seismic record, which dramatically increases the seismic damage potential.

Energy Balance-related Behaviors Are Related to Cardiometabolic Parameters and Predict Adiposity in 8-14-year-old Overweight Chinese Children One Year Later

To identify target energy balance-related behaviors（ERBs）,baseline data from 141overweight or obese schoolchildren（aged 8-14years old）was used to predict adiposity[body mass index（BMI）and fat percentage]one year later.The ERBs included a modified Dietary Approach to Stop Hypertension diet score（DASH score）,leisure-time physical activity（PA,days/week）,and leisure screen time（minutes/day）.Several cardiometabolic variables were measured in the fasting state, including systolic blood pressure （SBP）, diastolic blood pressure （DBP）, blood glucose （GLU）, total cholesterol （TC）, triglycerides （TG）, low-density lipoprotein （LDL-C）, and high-density lipoprotein （HDL-C）.

Experimental and numerical investigation for energy dissipation of supercritical flow in sudden contractions

Dealing with kinetic energy is one of the most important problems in hydraulic structures,and this energy can damage downstream structures.This study aims to study energy dissipation of supercritical water flow passing through a sudden contraction.The experiments were conducted on a sudden contraction with 15 cm width.A 30 cm wide flume was installed.The relative contraction ranged from 8.9 to 9.7,where relative contraction refers to the ratio of contraction width to initial flow depth.The Froude value in the investigation varied from 2 to 7.The contraction width of numerical simulation was 5~15 cm,the relative contraction was 8.9~12.42,and the Froude value ranged from 8.9~12.42.In order to simulate turbulence,the k-εRNG model was harnessed.The experimental and numerical results demonstrate that the energy dissipation increases with the increase of Froude value.Also,with the sudden contraction,the rate of relative depreciation of energy is increased due to the increase in backwater profile and downstream flow depth.The experimentation verifies the numerical results with a correlation coefficient of 0.99 and the root mean square error is 0.02.

On the Ratios Dark Matter (Energy)/Ordinary Matter ≈5.4(13.6) in the Universe

An upper limit of the average ratio dark matter/ordinary matter in galaxies is estimated to be 8.4, in agreement with the observed ratio 5.4. Upper limit of the average ratio dark energy/ordinary matter for slowly moving protons in the outer parts of the universe is estimated to be 8.4, much less than the observed ratio 13.6. The discrepancy is tentatively attributed to that the bulk of the protons in these outer parts of the universe moves fastly and their contribution to dark energy has not been estimated. The positive and negative relative energies between the diquark and quark in the proton play the roles of dark energy and dark matter, respectively.

The Change of Spectral Energy Distribution of Surface EMG Signal During Forearm Action Process

Spectral energy distribution of surface EMG signal is often used but difficultly and effectively control artificial limb, because the spectral energy distribution changes in the process of limb actions. In this paper, the general characteristics of surface EMG signal patterns were firstly characterized by spectral energy change. 13 healthy subjects were instructed to execute forearm supination （FS） and forearm pronation （FP） with their right foreanns when their forearm muscles were ＂fatigue＂ or ＂relaxed＂. All surface EMG signals were recorded from their right forearm flexor during their right forearm actions. Two sets of surface EMG signals were segmented from every surface EMG signal appropriately at preparing stage and acting stage. Relative wavelet packet energy （symbolized by pnp and pna respectively at preparing stage and acting stage, n denotes the nth frequency band） of surface EMG signal firstly was calculated and then, the difference （Pn = Pna-Pnp） were gained. The results showed that Pn from some frequency bands can effectively characterize the general characteristics of surface EMG signal patterns. Compared with Pn in other frequency bands, P4, the spectral energy change from 93.75 to 125 Hz, was more appropriately regarded as the features.

Relation between the Intervals ΔE and Δt Obtained in the De-Excitation Process of Electrons in Metals

A relation between the intervals of energy and time, derived in a former paper and associated with the electron transitions on the Fermi surface of a metal, is examined in comparison with the experimental data. These data are obtained from the de-excitation process of electrons in metals. A comparison between theory and experiment demonstrated that the new relation between energy and time is fitted much better for the experimental results than the well-known relation due to the Heisenberg theory.

Stress-strain relationship for reactive powder concrete with recycled powder under uniaxial compression

The recycled powder(RP)from construction wastes can be used to partially replace cement in the preparation of reactive powder concrete.In this paper,reactive powder concrete mixtures with RP partially replacing cement,and natural sand instead of quartz,are developed.Standard curing is used,instead of steam curing that is normally requested by standard for reactive powder concrete.The influences of RP replacement ratio(0%,10%,20%,30%),silica fume proportion(10%,15%,20%),and steel fiber proportion(0%,1%,2%)are investigated.The effects of RP,silica fume,and steel fiber proportion on compressive strength,elastic modulus,and relative absorption energy are analyzed,and theoretical models for compressive strength,elastic modulus,and relative absorption energy are established.A constitutive model for the uniaxial compressive stress-strain relationship of reactive powder concrete with RP is developed.With the increase of RP replacement ratio from 0% to 30%,the compressive strength decreases by 42% and elastic modulus decreases by 24%.

Performances of Five Representative Force Fields on Gaseous Amino Acids with Different Termini

There is a growing interest in the study of structures and properties of biomolecules in gas phase. Applications of force fields are highly desirable for the computational efficiency of the gas phase study. To help the selection of force fields, the performances of five repre- sentative force fields for gaseous neutral, protonated, deprotonated and capped amino acids are systematically examined and compared. The tested properties include relative conforma- tional energies, energy differences between cis and trans structures, the number and strength of predicted hydrogen bonds, and the quality of the optimized structures. The results of BHandHLYP/6-311＋＋G（d,p） are used as the references. GROMOS53A6 and ENCADS are found to perform poorly for gaseous biomoleeules, while the performance of AMBER99SB, CHARMM27 and OPLSAA/L are comparable when applicable. Considering the general availability of the force field parameters, CHARMM27 is the most recommended, followed by OPLSAA/L, for the study of biomolecules in gas phase

Theoretical Study of the Sensitivity-Improvement Effect of Phosphoryl Group in Mass Spectrometry of Small Peptides

It was found that phosphorylation of small peptide could improve the sensitivity in mass spectrometry. Density functional theory calculations showed that the energy for the protonation of N-(O,O'-dimethyl) phosphoryl glycylglycine is lower than that of glycylglycine. These could help to understanding the experimental results.

Dark Matter Creation and Anti-Gravity Acceleration of the Expanding Universe

Dark matter is identified as negative relative energy between quarks in proton and is generated in cold hydrogen gas with pressure gradient in gravitational field. Positive relative energy PRE can be generated between quarks in protons in cold hydrogen gas in outskirts of the universe. The mechanisms for such creation of dark matter and PRE are reviewed and updated in greater detail and clearer manner. The so-generated dark matter in a galaxy can account for the galaxy’s rotation curve. Star formation in this galaxy uses up the hydrogen atoms and thereby reduces its dark matter content. Dark matter created in intergalactic hydrogen gas can form filaments. In a hypothetical model of the universe, a hydrogen atom with a small amount of negative relative energy or dark matter at the outskirts of this universe can via collisions with other atoms turn into one with a small positive relative energy PRE. Once such a sign change takes place, gravitational attraction switches to anti-gravity repulsion unopposed by any pressure gradient. This leads to a “run away” hydrogen atom moving away from the mass center of the universe and provides a basic mechanism for the accelerating expansion of the universe. This theoretical expansion and the measured redshift data are both compatible with the conception of an acceleratingly expanding universe and complement each other. But they cannot verify each other directly because the present model has been constructed for purposes different from those of the measurements. But it can be shown that both approaches do support each other qualitatively under certain circumstances for small velocities. Dark matter and PRE in the present model are not foreign objects like WIMPs and dark energy-cosmological constant but can only be created in cold hydrogen gas in gravitational field. To achieve this, infrequent collisions among the hydrogen atoms must take place. Dark matter was created first and can eventually later evolve into PRE in the outskirts of the universe and in the intergalactic void. Dark matter and PRE will disappear if the hydrogen atom carrying them becomes ionized as in stars.

Ab initio Study on Ionization Energies of 1-Methyl-hypoxanthine

Six low-lying tautomers of 1-methyl-hypoxanthine have been studied at the B3LYP/aug-cc- pVDZ level. Two tautomers NTH and N9H with the comparable energies are far more stable than the others. The vertical ionization energies of the tautomers calculated with ab initio electron propagator theory in the P3/aug-cc-pVDZ approximation are in agreement with the experimental data from photoelectron spectroscopy. According to the calculated relative energies and the comparison between the simulated and the experimental photoelectron spectra, it demonstrates that there are at least two tautomers of 1-methyl-hypoxanthine in the gas-phase experiments.

Effects of stimulating frequency of NIR LEDs light irradiation on forehead as quantified by EEG measurements

Near-infrared(NIR)light has been shown to produce a range of physiological effects in hunans,however,there is still no agreement on whether and how a single parameter,like the flicker frequency of NIR light,affects the brain.An 810 nm NIR LED was used as the stimulator.Fifty subjects participated in this experiment.Forty subjects were randomly divided into four groups.Each group underwent a 30-minute NIR LED radiation with four different frequencies(i.e.,0 Hz,5 Hz,10 Hz and 20 Hz,respectively)on the forehead.The remaining 10 subjects formed the control group,in which they underwent a 30-minute rest period without light radiation.EEG signals of all subjects during each test were recorded.Gravity frequency(GF),relative energy change,and sample entropy were analyzed.The experimental groups had larger GF values compared to the control group.Higher stimulation frequency would cause larger growth of GF(F=14.75,P<0.001).The amplitude of alpha waves relative energy increased,while theta waves decreased remarkably in the experimental groups(p<0.02),and the extent of increase/decrease was larger at higher stimulation frequency,compared to that of the control.Sample entropy of electrodes in the frontal areas were much larger than those in other brain areas in the experimental groups(p<0.001).Larger frequency of the NIR LED light would cause more distinct brain activities in the stimulated areas.It indicates that NIR LED light may have a positive effect on modulating brain activity.These results may help improve the design of photobiomodulation treatments in the future.

Structural Characters and Isolated Stability of Phosphorus Polyanions

The optimized geometries at the RHF/6-311++G** level, the relatively stable energy at the MPW1PW91/6-311++G** level and the structural characters of anions have been acquired, indicating the stability is related to the chemical bonding of μ2?P atoms and the distri- bution of negative charges. The configurations of cage units P8 4- and P9 5- are stable due to the less torsion, but their ES values are relatively higher than that of P7 3- with more μ2?P atoms and the isolated stability is lower than that of P7 . They potentially play an important role as intermediate 3- in chemical reaction of producing complicated polyphosphides. Based on the related electronic properties, a stable polyanion must have low valence electron concentration, no (μ2?P)?(μ2?P) bond and a little dispersive charge. The earmark IR frequencies of cage units have been assigned to the vibration models in the end.

Analysis of Electroencephalogram Based on Wavelet Spectrum and Wavelet Entropy

Based on discrete wavelet transform, both relative wavelet energy （RWE） and segment wavelet entropy （SWE） of electroencephalogram （EEG） are defined in this paper. The RWE provides quantitatively the information about the relative energy associated with different frequency bands present in the EEG. The SWE carries information about the degree of order or disorder associated with different time segment of EEG evolution, which can determine the time-segment loealizations of abnormal dynamic processes of brain activity due to the localization characteristics of the wavelet transform. The experimental results show that the RWE and SWE are different between epileptic EEGs and normal EEGs, which demonstrate that the RWE and the SWE are helpful to analyze the dynamic behavior of different EEGs.

Two topological approaches to resonance energy and the relation between them

Two of the present authors recently put forward a novel approach to resonance energy which is based on a similar topological reasoning as a previously elaborated resonance energy concept. It is shown that these two approaches are not completely equivalent. Several other properties of the new resonance energy are pointed out.

Ultrahigh “Relative Energy Density” and Mass Loading of Carbon Cloth Anodes for K-Ion Batteries

Mass loading and potential plateau are the two most important issues of potassium(K)-ion batteries(KIBs),but they have long been ignored in previous studies.Herein,we report a simple and scalable method to fabricate acidized carbon clothes(A-CC)as high mass loading(13.1 mg cm−2)anode for KIBs,which achieved a reversible areal-specific capacity of 1.81 mAh cm−2 at 0.2 mA cm−2.Besides,we have proposed the concept of“relative energy density”to reasonably evaluate the electrochemical performance of the anode.According to our calculation method,the A-CC electrode exhibited an ultrahigh relative energy density of 46 Wh m−2 in the initial charge process and remained at 40 Wh m−2 after 50 cycles.Furthermore,we performed the operando Raman spectroscopy(ORS)to investigate the K-ion storage mechanism.We believe that our work might provide a new guideline for the evaluation of anode performance,thereby,opening an avenue for the development of commercial anode.

Correlation between solubility parameters and recovery of phenolic compounds from fast pyrolysis bio-oil by diesel extraction

Fast pyrolysis bio-oils(fpBO)were extracted with two alternative commercial transportation fuels,hydrocarbon diesel and bio-diesel.The extraction of fpBO with commercial diesel fuel provided a yield of 4.3 wt%,but the yield increased significantly to 26.6 wt%when bio-diesel was the extractant.The molecular weight of fpBO before and after extraction were consistent with the loss of a more soluble,low molecular weight fraction from the crude fpBO.The relative energy difference(RED),based on the Hansen solubility parameter(HSP),is used to examine the extraction efficiency of specific compounds in the two different‘solvents’.Differences in the RED values could be used to rationalize differences in the partitioning of common fpBO phenolics.