Molecular simulation of energy storage properties of R32, R134A and R1234YF in MOF-5 AND MOF-177

The addition of porous nanomaterials is promising to enhance the thermal energy property of the organic working fluid. In this paper, molecular dynamics (MD) and grand canonical Monte Carlo simulations are employed to investigate the adsorption and energy storage properties of R32, R134a and R1234yf in MOF-5 and MOF-177. The results showed that the working fluid with small molecular size is easier to absorb and desorb in MOF structure. Besides, the MOF with larger specific surface area and pore size can absorb more organic working fluids, which can result in the larger enhancement of energy storage.

NLO electroweak potentials for minimal dark matter and beyond

We calculate the one-loop correction to the static potential induced by γ, W and Z-exchange at tree-level for arbitrary heavy standard model multiplets. We find that the result obeys a “Casimir-like” scaling, making the NLO correction to the potential a “low-energy” property of the electroweak gauge bosons. Furthermore, we discuss the phenomenology of the NLO potentials, the analytically known asymptotic limits and provide fitting functions in position space for easy use of the results.

PARTISIPASI MASYARAKAT DALAM PENGELOLAAN OBJEK WISATA ALAM (STUDI KASUS WISATA BUKIT KAPUR SETIGI,DESA SEKAPUK,KECAMATAN UJUNG PANGKAH KABUPATEN GRESIK)

Wisata Alam Setigi merupakan wisata yang dibangun berdasarkan partisipasi masyarakat desa Sekapuk, memiliki keunikan tersendiri karena bekas galian tambang kapur yang sebelumnya tempat pembuangan sampah karena sudah tidak dipakai lagi untuk penambangan kapur. Kades Sekapuk melihat bahwa bukit tersebut akan menarik jika dikelola menjadi tempat wisata. Akhirnya lokasi bekas tambang kapur dan pembuangan sampah dikelola menjadi wisata Setigi yang selalu ingin dikunjungi,ditambah lagi dengan pahatan dari berbagai ornamen Pahatan yang menarik seperti Candi Topeng,Miniatur Masjid,dibangunnya jembatan peradaban,serta adanya tangga Derajat yang merupakan icon yang menambah keindahan wisata alam ini. Wisata Setigi merupakan potensi yang perlu dikembangkan,dapat membantu perekonomian warga Sekapuk yang mengelola objek wisata tersebut. Partisipasi masyarakat melalui pembentukan Taplus Invest,musyawarah bersama perwakilan masyarakat terkait persoalan di Sekapuk berupa dana untuk pengelolaan wisata setigi. Tujuan penelitian,untuk mengetahui paparan yang jelas terkait partisipasi masyarakat dalam proses pengelolaan Wisata Alam Setigi. Metode Penelitian, menggunakan penelitian metode deskriptif analisis dan jenis penelitiannya menggunakan metode pustaka dan penelitian lapangan, bahan-bahan pustaka yang didukung dengan wawancara dari beberapa narasumber terkait dengan pengelolaan wisata Setigi. Fokus penelitian,partisipasi masyarakat dari bentuk partisipasi Abu Huraerah:Partisipasi pemikiran, tenaga, harta benda, keterampilan dan kemahiran, partisipasi sosial. Hasil penelitian dari peneliti memperlihatkan bahwa dalam pengelolaan wisata Setigi ini masyarakat Sekapuk ikut antusias dalam pengelolaan wisata Setigi. Partisipasi masyarakat sekapuk juga membantu pertumbuhan perekonomian desa Sekapuk. Kata Kunci: Partisipasi , Masyarakat, Wisata Setigi Setigi Nature Tourism is a tour built based on the participation of the Sekapuk village community, which is unique because of the former excavation of a limestone mine that was previously a landfill because it is no longer used for limestone mining. Sekapuk village head sees that the hill will be attractive if it is managed as a tourist spot. Finally, the location of the former limestone mine and garbage disposal is managed to become Setigi tourism which is always wanted to be visited, coupled with carvings of various interesting carving ornaments such as Mask Temple, Mosque Miniature, construction of civilization bridge, and the existence of a Derajat staircase which is an icon that adds to the beauty of natural tourism this. Setigi tourism is a potential that needs to be developed, to help the economy of the Sekapuk residents who manage these tourist objects. Community participation through the formation of Taplus Invest, deliberations with community representatives regarding issues in Sekapuk in the form of funds for the management of Setigi tourism. The research objective was to determine a clear explanation regarding community participation in the management process of the Setigi Nature Tourism. Research Methods, using descriptive analysis method research and the type of research using library methods and field research, library materials supported by interviews from several sources related to the management of Setigi tourism. Research focus, community participation from the form of participation of Abu Huraerah: Participation of thoughts, energy, property, skills and skills, social participation. The results of the research from the researchers showed that in the management of Setigi tourism, the Sekapuk community was enthusiastic about managing Setigi tourism. The participation of the Sekapuk community also helps the economic growth of the Sekapuk village. Keywords: Participation,Community, Setigi Tourism

Ship Security Relative Integrated Navigation with Injected Fault Measurement Attack and Unknown Statistical Property Noises

In this work, the ship relative integrated navigation approaches are studied for the navigation scenarios with the measurements disturbed by unknown statistical property noises and with the injected fault measurement attacks. On the basis of the limited energy property of system noises, the navigation states are estimated by the local finite horizon H∞ filter to satisfy the performance index function. Then, the local estimates are fused in the relative integrated navigation system with the weight fusion parameters obtained by using the local estimate error measurements. Further, the injected fault measurement attacks are considered in the relative integrated navigation systems. Due to the system noises and the measurement noises having unknown statistical property, the classical Chi-square test can hardly be utilized to detect the injected fault measurements. Therefore, a secure relative integrated navigation method is proposed with a distance-based clustering detector. The finial simulation results illustrate the effectiveness of the proposed relative integrated navigation approach and the proposed secure relative integrated navigation approach.

Machine learning for the structure–energy–property landscapes of molecular crystals

Polymorphism is common in molecular crystals, whose energy landscapes usually contain many structures with similar stability, but very different physical–chemical properties. Machine-learning techniques can accelerate the evaluation of energy and properties by side-stepping accurate but demanding electronic-structure calculations, and provide a data-driven classification of the most important molecular packing motifs.

Big picture of relativistic molecular quantum mechanics

Any quantum mechanical calculation on electronic structure ought to choose first an appropriate Hamiltonian H and then an Ansatz for parameterizing the wave function Ψ, from which the desired energy/property E(λ) can finally be calculated. Therefore, the very first question is: what is the most accurate many-electron Hamiltonian H? It is shown that such a Hamiltonian i.e. effective quantum electrodynamics (eQED) Hamiltonian, can be obtained naturally by incorporating properly the charge conjugation symmetry when normal ordering the second quantized fermion operators. Taking this eQED Hamiltonian as the basis, various approximate relativistic many-electron Hamiltonians can be obtained based entirely on physical arguments. All these Hamiltonians together form a complete and continuous ‘Hamiltonian ladder’, from which one can pick up the right one according to the target physics and accuracy. As for the many-electron wave function Ψ, the most intriguing questions are as follows. (i) How to do relativistic explicit correlation? (ii) How to handle strong correlation? Both general principles and practical strategies are outlined here to handle these issues. Among the electronic properties E(λ) that sample the electronic wave function nearby the nuclear region, nuclear magnetic resonance (NMR) shielding and nuclear spin-rotation (NSR) coupling constant are especially challenging: they require body-fixed molecular Hamiltonians that treat both the electrons and nuclei as relativistic quantum particles. Nevertheless, they have been formulated rigorously. In particular, a very robust ‘relativistic mapping’ between the two properties has been established, which can translate experimentally measured NSR coupling constants to very accurate absolute NMR shielding scales that otherwise cannot be obtained experimentally. Since the most general and fundamental issues pertinent to all the three components of the quantum mechanical equation HΨ = EΨ (i.e. Hamiltonian H, wave function Ψ, and energy/property E(λ)) have fully been understood, the big picture of relativistic molecular quantum mechanics can now be regarded as established.