简介：Fourcategoriesofglobularproteins,includingall-α,all-β,α+β,andα/βtypes,aresimplifiedastheoff-latticeHNPmodelinvolvingthesecondary-structuralinformationofeachprotein.Thepropensityofthreetypesofresidues,i.e.,H,N,andPtoformasecondarystructureisinvestigatedbasedon146proteinsamples.WefindthatPresiduesareeasytoformα-helices,whereasHresidueshaveahighertendencytoconstructβ-sheets.ThestatisticalanalysisalsoindicatesthattheoccurrenceofPresiduesisinvariablyhigherthanthatofHresidues,whichisindependentofproteincategory.Changesinbond-andnon-bondedpotentialenergiesofallproteinsamplesunderawidetemperaturerangearepresentedbycoarse-grainedmoleculardynamics(MD)simulation.Thesimulationresultsclearlyshowalinearrelationshipbetweenthebond-stretching/bendingpotentialenergyandthereducedtemperature.Thebond-torsionalandnon-bondedpotentialenergiesshowdistincttransitionswithtemperature.Thebond-torsionalenergyincreasestothemaximumandthendecreaseswiththeincreaseoftemperature,whichisoppositetothechangeinnon-bondedpotentialenergy.Thetransitiontemperatureofnon-bondedpotentialenergyisindependentoftheproteincategory,whilethatofbond-torsionalenergyiscloselyrelatedtotheproteinsecondarystructure,i.e.,α-helixorβ-sheet.Thequantitativelybonded-andsemiquantitativelynon-bondedpotentialenergyof24α+βand23α/βproteinsamplesaresuccessfullypredictedaccordingtothestatisticalresultsobtainedfromMDsimulations.

简介：HfO2榆树被电子横梁蒸发在BK7玻璃底层上扔。在剩余压力和HfO2电影的结构上在100度C和400度C之间退火的影响被学习。系列，剩余压力和结构的小差别在在更低的温度退火以后被获得，这被发现。在在更高的温度退火以后，系列变到短波长，有增加退火的剩余压力增加温度。同时，雏晶尺寸增加，interplanardistance减少。光系列和剩余应力的变化对应于退火导致的结构的进化。

简介：WehavestudiedtheangularmagnetoresistanceofironpnictidesBaFe2-xNixAs2,whichshowsclear180degreeperiodicityasfittedbyacosinefunction.Inthex=0.065sample,thephaseofthetwo-foldsymmetrychanges90degreesabovethetetragonal-to-orthorhombicstructuraltransitiontemperatureTs.Sincethephaseatlowtemperatureisassociatedwiththerotationoforthorhombicdomainsbymagneticfield,weshowthatevenvacuumgreasecanpushthepresenceoforthorhombicdomainsattemperaturesmuchhigherthanTs.Ourresultssuggestthatresidualstressmayhavesignificanteffectsinstudyingthenematicordersanditsfluctuationsinironpnictides.

简介：Theresultsonadissociationbehaviorofpropanehydratespreparedfrom'drywater'andcontainedunreactedresidualwaterintheformoficeinclusionsorsupercooledliquidwater(watersolutionofgas)werepresentedfortemperaturesbelow273K.Thetemperaturerampingorpressurereleasemethodwasusedforthedissociationofpropanehydratesamples.Itwasfoundthatthemechanismofgashydratedissociationattemperaturesbelow273Kdependedonthephasestateofunreactedwaterinthehydratesample.Gashydratesdissociatedintoiceandgasiftheiceinclusionswereinthehydratesample.Thesamplesofpropanehydrateswithinclusionsofunreactedsupercooledwateronly(withouticeinclusions)dissociatedintosupercooledwaterandgasbelowthepressureofthesupercooledwater-hydrate-gasmetastableequilibrium.