LiToTac: An Interactive-Interface Software for Finite Element Analysis of Multiple Contact Dynamics

In order to investigate the mechanical behavior of systems with complex architecture and a large number of contacting bodies,a finite element software,named LiToTac,has been developed by using the object-oriented programming technique.This software,with an interactive graphical user interface,is able to handle highly non-linear problems including multiple contacts and large deformation.More importantly,the contact detection based on a hybrid three-stages methodology can be performed automatically,which is more efficient than the common strategies of pre-defining contact zones in commercial FEM software like ANSYS,ABAQUS,etc.In addition,the contact solver in LiToTac is portable between dynamic and quasi-static codes and can accurately solve contact coupled with friction in a reduced system.Several numerical examples are carried out to illustrate the functionality and capacity of the software package.

Nonsmooth dynamic analysis of rigid-flexible interaction collision

This paper aims to explore the deformation of the collided bodies in multibody systems and to effectively simulate the motion path of colliding bodies.First,we describe the geometrically nonlinear problems of materials by the total Lagrangian formulation.Second,a first-order integration scheme is used to solve the dynamics equations.An algorithm combining the bi-potential method with the node-to-point contact identification is proposed to solve the interface problems of rigid-flexible interaction collision.To observe the collision process more intuitively,the internal software FER/VIEW is introduced to visualize the results.The accuracy is proved by comparing the proposed method with the analytical solution or another numerical solution.Moreover,the proposed method has more numerical robustness,such as occupying less computer storage,saving the computational cost,and broadening the application range of the bi-potential method.

Construction and application of an ontology-based domain-specific knowledge graph for petroleum exploration and development

The massive amount and multi-sourced,multi-structured data in the upstream petroleum industry impose great challenge on data integration and smart application.Knowledge graph,as an emerging technology,can potentially provide a way to tackle the challenges associated with oil and gas big data.This paper proposes an engineering-based method that can improve upon traditional natural language processing to construct the domain knowledge graph based on a petroleum exploration and development ontology.The exploration and development knowledge graph is constructed by assembling Sinopec’s multi-sourced heterogeneous database,and millions of nodes.The two applications based on the constructed knowledge graph are developed and validated for effectiveness and advantages in providing better knowledge services for the oil and gas industry.

From foredeep to orogenic wedge-top: The Cretaceous Songliao retroforeland basin, China

Songliao Basin,the largest Mesozoic intracontinental nonmarine basin in eastern China,initiated during the latest Jurassic as a backarc extensional basin;rifting failed and thermal cooling controlled subsidence through the early Late Cretaceous.Integrating 2-D and 3D reflection seismic and borehole data with regional geological studies,we interpret sedimentary sequence and structural patterns of the Coniacian-Maastrichtian fill of Songliao Basin as defining a retroforeland basin system developed after 88 Ma(marked by the T11 unconformity in the basin),including(1)significant increase in the thickness of the Nenjiang Formation eastward towards orogenic highlands of the Zhangguangcai Range and the convergent continental margin;(2)a shift of detrital provenance in the basin from north to southeast;and(3)propagation of E-W shortened structures,increasing eastward in amplitude,frequency,and degree of inversion toward the orogen.During latest Cretaceous,foreland basin fill progressively deformed,as the foredeep evolved to a wedge-top tectonic setting,marked by the basin-wide T04 unconformity within the upper Nenjiang Formation at 81.6 Ma.Much of the basin was brought into the orogenic wedge and eroded by the end of the Cretaceous.Late Jurassic/Early Cretaceous backarc rifting of uncratonized basement comprised of accreted terranes likely facilitated and localized the foreland.Synrift normal faults reactivated and extensively inverted as thrust faults are prominent in the eastern 1/3 of the basin,whereas folds developed above detachments in shaley early post-rift strata dominate the western 2/3 of the basin.Songliao foreland development likely was driven by changing plate dynamics and collision along the Pacific margin after 88 Ma.

Geoscience knowledge graph in the big data era

Since the beginning of the 21 st century,the geoscience research has been entering a significant transitional period with the establishment of a new knowledge system as the core and with the drive of big data as the means.It is a revolutionary leap in the research of geoscience knowledge discovery from the traditional encyclopedic discipline knowledge system to the computer-understandable and operable knowledge graph.Based on adopting the graph pattern of general knowledge representation,the geoscience knowledge graph expands the unique spatiotemporal features to the Geoscience knowledge,and integrates geoscience knowledge elements,such as map,text,and number,to establish an all-domain geoscience knowledge representation model.A federated,crowd intelligence-based collaborative method of constructing the geoscience knowledge graph is developed here,which realizes the construction of high-quality professional knowledge graph in collaboration with global geo-scientists.We also develop a method for constructing a dynamic knowledge graph of multi-modal geoscience data based on in-depth text analysis,which extracts geoscience knowledge from massive geoscience literature to construct the latest and most complete dynamic geoscience knowledge graph.A comprehensive and systematic geoscience knowledge graph can not only deepen the existing geoscience big data analysis,but also advance the construction of the high-precision geological time scale driven by big data,the compilation of intelligent maps driven by rules and data,and the geoscience knowledge evolution and reasoning analysis,among others.It will further expand the new directions of geoscience research driven by both data and knowledge,break new ground where geoscience,information science,and data science converge,realize the original innovation of the geoscience research and achieve major theoretical breakthroughs in the spatiotemporal big data research.

Additive manufacturing alumina components with lattice structures by digital light processing technique

Digital light processing technique was applied to manufacture alumina ceramic parts with two types of lattice structure units, i.e. vertex interconnect structure and edge structure. The internal porosity of the unit is 40%. The printed parts were sintered and the grain size is about 1.1 μm. The bending strength of the vertex interconnect structure is much larger than that of the edge structure. Materials genome initiative(MGI) aims to digital design and intelligent manufacture for advanced components. This research shows us an example to achieve this goal.

YPD-30, a prodrug of YPD-29B, is an oral small-molecule inhibitor targeting PD-L1 for the treatment of human cancer

PD-1 and PD-L1 antibodies have brought about extraordinary clinical benefits for cancer patients,and their indications are expanding incessantly.Currently,most PD-1/PD-L1 agents are administered intravenously,which may be uncomfortable for some cancer patients.Herein,we develop a novel oral-delivered small molecular,YPD-29B,which specifically targets human PD-L1.Our data suggested that YPD-29B could potently and selectively block the interaction between PD-L1 and PD-1,but did not inhibit any other immune checkpoints.Mechanistically,YPD-29B induced human PD-L1 dimerization and internalization,which subsequently activated T lymphocytes and therefore overcomes immunity tolerance in vitro.YDP-29B was modified as the YPD-30 prodrug to improve druggability.Using humanized mice with human PD-1 xenografts of human PD-L1 knock-in mouse MC38 cancer cells,we demonstrated that YPD-30 exhibited significant antitumor activity and was well tolerated in vivo.Taken together,our results indicate that YPD-30 serves as a promising therapeutic candidate for anti-human PD-L1 cancer immunotherapy.

Machine learning and a computational fluid dynamic approach to estimate phase composition of chemical vapor deposition boron carbide

Chemical vapor deposition is an important method for the preparation of boron carbide.Knowledge of the correlation between the phase composition of the deposit and the deposition conditions (temperature,inlet gas composition,total pressure,reactor configuration,and total flow rate) has not been completely determined.In this work,a novel approach to identify the kinetic mechanisms for the deposit composition is presented.Machine leaning (ML) and computational fluid dynamic (CFD) techniques are utilized to identify core factors that influence the deposit composition.It has been shown that ML,combined with CFD,can reduce the prediction error from about 25% to 7%,compared with the ML approach alone.The sensitivity coefficient study shows that BHCl_(2 )and BCl_(3) produce the most boron atoms,while C_(2)H_(4) and CH_(4) are the main sources of carbon atoms.The new approach can accurately predict the deposited boron-carbon ratio and provide a new design solution for other multi-element systems.

A targeted covalent inhibitor of p97 with proteome-wide selectivity

A resurging interest in targeted covalent inhibitors(TCIs)focus on compounds capable of irreversibly reacting with nucleophilic amino acids in a druggable target.p97 is an emerging protein target for cancer therapy,viral infections and neurodegenerative diseases.Extensive efforts were devoted to the development of p97 inhibitors.The most promising inhibitor of p97 was in phase 1 clinical trials,but failed due to the off-target-induced toxicity,suggesting the selective inhibitors of p97 are highly needed.We report herein a new type of TCIs(i.e.,FL-18)that showed proteome-wide selectivity towards p97.Equipped with a Michael acceptor and a basic imidazole,FL-18 showed potent inhibition towards U87 MG tumor cells,and in proteome-wide profiling,selectively modified endogenous p97 as confirmed by in situ fluorescence scanning,label-free quantitative proteomics and functional validations.FL-18 selectively modified cysteine residues located within the D2 ATP site of p97.This covalent labeling of cysteine residue in p97 was verified by LC-MS/MS-based site-mapping and site-directed mutagenesis.Further structure-activity relationship(SAR)studies with FL-18 analogs were established.Collectively,FL-18 is the first known small-molecule TCI capable of covalent engagement of p97 with proteome-wide selectivity,thus providing a promising scaffold for cancer therapy.

Novel phenyl-urea derivatives as dual-target ligands that can activate both GK and PPARγ

A series of novel phenyl-urea derivatives which can simultaneously activate gluco kinase(GK)and peroxisome proliferator-activated receptorγ(PPARγ)was designed and prepared,and their activation of GK and PPARγ was evaluated.The structure--activity relationships of these compounds are also described.Three compounds showed potent ability to activate both GK and PPARγ.The possible binding mode of one of these compounds with GK and PPARγ were predicted by molecular docking simulation.