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Journal of Energy Chemistry 2024年第3期90卷 337-347,I0009页

作者： Keming Zhu Denis kramer Chao peng School of Mechanical and precision Instrument Engineering Xi'an University of TechnologyXi'an 710048ShanxiChina Faculty of Mechanical Engineering Helmut-Schmidt UniversityHamburg 22043Germany School of Engineering University of SouthamptonSouthampton SO171BJUK Multiscale Crystal Materials Research Center Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055GuangdongChina

Graphite interfaces are an important part of the anode in lithium-ion batteries(LIBs),significantly influencing Li intercalation *** anodes adopt different stacking sequences depending on the concentration of the intercalated Li *** this work,we performed first-principles calculations to comprehensively address the energetics and dynamics of Li intercalation and Li vacancy diffusion near the no n-basal edges of graphite,namely the armchair and zigzag-edges,at high Li *** find that surface effects persist in stage-Ⅱ that bind Li strongly at the edge ***,the pronounced effect previously identified at the zigzag edge of pristine graphite is reduced in LiC_(12),penetrating only to the subsurface site,and eventually disappearing in LiC_(6).Consequently,the distinctive surface state at the zigzag edge significantly impacts and restrains the charging rate at the initial lithiation of graphite anodes,whilst diminishes with an increasing degree of *** diffusion time for Li hopping to the bulk site from either the zigzag edge or the armchair edge in LiC_(6) was observed during high state of charge due to charge *** controlling Li occupation and diffusion kinetics at this stage is also crucial for enhancing the charge rate.

关键词： Graphite anode Edge Interface Lithium-ion batteries Density functional theory

From Bonn to Beijing: Exploring the Gravitational Wave Spectrum and Beyond——An Interview with Dr. Michael kramer on German-Chinese Collaboration on Low Frequency Gravitational Wave Research

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Bulletin of the Chinese Academy of Sciences 2017年第4期31卷 226-232页

作者： Michael kramer

The successful detection of gravitational waves, or ＂ripples on the cosmic sea＂, not only confirmed Albert Einstein＇s theory of general relativity, but also opened a new window on the part of the universe we had never seen before. Since then, we have a novel, powerful tool to explore some of the most mysterious objects in the sky,

关键词：波浪重力迈克尔低频率光谱北京波恩博士

Distilling physical origins of hardness in multi-principal element alloys directly from ensemble neural network models

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npj Computational Materials 2022年第1期8卷 1450-1460页

作者： D.Beniwal p.Singh S.Gupta M.J.kramer D.D.Johnson p.K.Ray Metallurgical&Materials Engineering Indian Institute of Technology RoparRupnagar140001PunjabIndia Ames Laboratory US Department of EnergyAmesIA50011USA Materials Science&Engineering Iowa State UniversityAmesIA50011USA

Despite a plethora of data being generated on the mechanical behavior of multi-principal element alloys,a systematic assessment remains inaccessible via Edisonian *** approach this challenge by considering the specific case of alloy hardness,and present a machine-learning framework that captures the essential physical features contributing to hardness and allows high-throughput exploration of multi-dimensional compositional *** model,tested on diverse datasets,was used to explore and successfully predict hardness in Al_(x)Ti_(y)(CrFeNi)_(1-x-y),Hf_(x)Co_(y)(CrFeNi)_(1-x-y)and Al_(x)(TiZrHf)_(1-x)systems supported by data from density-functional theory predicted phase stability and ordering *** experimental validation of hardness was done on *** selected systems pose diverse challenges due to the presence of ordering and clustering pairs,as well as vacancy-stabilized novel *** also present a detailed model analysis that integrates local partial-dependencies with a compositional-stimulus and model-response study to derive material-specific insights from the decision-making process.

关键词： alloys alloy element

Online Induction of probabilistic Real-Time Automata

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Journal of Computer Science & Technology 2014年第3期29卷 345-360页

作者： Jana Schmidt Stefan kramer Technische Universitt Mnchen Institut fr Informatik/I12Boltzmannstr. 385748 Garching b. MnchenGermany Johannes Gutenberg-Universitt Mainz Institute for Computer ScienceStaudingerweg 955128 MainzGermany

The probabilistic real-time automaton （pRTA） is a representation of dynamic processes arising in the sciences and industry. Currently, the induction of automata is divided into two steps： the creation of the prefix tree acceptor （pTA） and the merge procedure based on clustering of the states. These two steps can be very time intensive when a pRTA is to be induced for massive or even unbounded datasets. The latter one can be efficiently processed, as there exist scalable online clustering algorithms. However, the creation of the pTA still can be very time consuming. To overcome this problem, we propose a genuine online pRTA induction approach that incorporates new instances by first collapsing them and then using a maximum frequent pattern based clustering. The approach is tested against a predefined synthetic automaton and real world datasets, for which the approach is scalable and stable. Moreover, we present a broad evaluation on a real world disease group dataset that shows the applicability of such a model to the analysis of medical processes.

关键词： probabilistic real-time automata online induction maximum frequent pattern based clustering

Is activation of GDNF/RET signaling the answer for successful treatment of parkinson's disease?A discussion of data from the culture dish to the clinic

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Neural Regeneration Research 2022年第7期17卷 1462-1467页

作者： James A.Conway Edgar R.kramer Institute of Translational and Stratified Medicine Peninsula Medical SchoolFaculty of HealthUniversity of PlymouthDevonUK

The neurotrophic signaling of glial cell line-derived neurotrophic factor(GDNF)with its canonical receptor,the receptor tyrosine kinase RET,coupled together with the GDNF family receptor alpha 1 is important for dopaminergic neuron survival and physiology in cell culture experiments and animal *** prompted the idea to try GDNF/RET signaling as a therapeutic approach to treat parkinson’s disease with the hallmark of dopaminergic cell death in the substantia nigra of the *** several clinical trials with GDNF in parkinson’s disease patients,which mainly focused on optimizing the GDNF delivery technique,benefits were only seen in a few *** general,the endpoints did not show significant *** suggests that it will be helpful to learn more about the basic biology of this fascinating but complicated GDNF/RET signaling system in the dopaminergic midbrain and about recent developments in the field to facilitate its use in the *** we will refer to the latest publications and point out important open questions in the field.

关键词： α-synuclein clinical trials dopaminergic neurons glial cell line-derived neurotrophic factor GFRα1 gut-brain axis Nedd4 parkin parkinson’s disease RET

On Unsupervised Training of Multi-Class Regularized Least-Squares Classifiers

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Journal of Computer Science & Technology 2014年第1期29卷 90-104页

作者： Tapio pahikkala Antti Airola Fabian Gieseke Oliver kramer ACM IEEE Department of Information Technology University of Turku Department of Computer Science University of Copenhagen Computer Science Department Carl von Ossietzky University of Oldenburg

In this work we present the first efficient algorithm for unsupervised training of multi-class regularized least- squares classifiers. The approach is closely related to the unsupervised extension of the support vector machine classifier known as maximum margin clustering, which recently has received considerable attention, though mostly considering the binary classification case. We present a combinatorial search scheme that combines steepest descent strategies with powerful meta-heuristics for avoiding bad local optima. The regularized least-squares based formulation of the problem allows us to use matrix algebraic optimization enabling constant time checks for the intermediate candidate solutions during the search. Our experimental evaluation indicates the potential of the novel method and demonstrates its superior clustering performance over a variety of competing methods on real world datasets. Both time complexity analysis and experimental comparisons show that the method can scale well to practical sized problems.

关键词： unsupervised learning multi-class regularized least-squares classification maximum margin clustering combinatorial optimization

pettifor maps of complex ternary two-dimensional transition metal sulfides

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npj Computational Materials 2022年第1期8卷 1692-1702页

作者： Andrea Silva Jiangming Cao Tomas polcar Denis kramer Faculty of Engineering and physical Sciences University of SouthamptonUniversity RoadSO171BJSouthamptonUK National Centre for Advanced Tribology Study University of SouthamptonSouthamptonUK Faculty of Mechanical and Civil Engineering Helmut-Schmidt-Universität/Universität der Bundeswehr HamburgHolstenhofweg 8522043HamburgGermany Advanced Materials Group Department of Control EngineeringFaculty of Electrical EngineeringCzech Technical University in Prague(CTU)PragueCzech Republic Department of Heterogeneous Catalysis Helmholtz-Zentrum HereonMax-Planck-Strasse 1GeesthachtGermany

Alloying is an established strategy to tune the properties of bulk compounds for desired *** the advent of nanotechnology,the same strategy can be applied to 2D materials for technological applications,like single-layer transistors and solid *** we present a systematic analysis of the phase behaviour of substitutional 2D alloys in the Transition Metal Disulfides(TMD)*** phase behaviour is quantified in terms of a metastability metric and benchmarked against many-body expansion of the energy *** show how the metastability metric can be directly used as starting point for setting up rational search strategies in phase space,thus allowing for targeted further computational prediction and analysis of *** results presented here also constitute a useful guideline for synthesis of TMDs binary alloys via a range of synthesis techniques.

关键词： alloys sulfide behaviour

Λb^0-baryon production in pp collisions in the general-mass variable-flavour-number scheme,and comparison with CMS and LHCb data

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Chinese physics C 2018年第8期42卷 34-44页

作者： G.kramer H.Spiesberger II.Institut für Theoretische physik Universitat HamburgLuruper Chaussee 149D-22761 HamburgGermany Institut für physik Johannes-Gutenberg-UniversitatStaudinger Weg 7D-55099 MainzGermany Centre for Theoretical and Mathematical physics and Department of physics University of Cape TownRondebosch 7700South Africa

We calculate the next-to-leading-order cross section for the inclusive production ofΛ（b ）baryons in pp collisions in the general-mass variable-flavor-number *** use realistic evolved non-perturbative fragmentation functions obtained from fits to B-meson production in e^＋e^-annihilation and compare our results for transversemomentum and rapidity distributions with recent experimental data from the CMS and the LHCb collaborations at the CERN *** find satisfactory agreement in general,with some indication for the need to modify the available fragmentation functions at larger values of the scale variable.

关键词： heavy flavor production perturbative QCD Ab production

Homogenization Theory for a Replenishing passive Scalar Field

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Chinese Annals of Mathematics,Series B 2009年第5期30卷 631-644页

作者： peter R. kramer Shane R. KEATING Department of Mathematical Sciences Rensselaer Polytechnic Institute Center for Atmosphere-Ocean Science Courant Institute of Mathematical SciencesNew York University

Homogenization theory provides a rigorous framework for calculating the effective diffusivity of a decaying passive scalar field in a turbulent or complex *** authors extend this framework to the case where the passive scalar fluctuations are continuously replenished by a source (and/or sink).The basic structure of the homogenized equations carries over,but in some cases the homogenized source can involve a non-trivial coupling of the velocity field and the *** authors derive expressions for the homogenized source term for various multiscale source structures and interpret them physically.

关键词： Homogenization Turbulent transport Source pumping