Dolfin: Diffusion Layout Transformers without Autoencoder

In this paper, we introduce a novel generative model, Diffusion Layout Transformers without Autoencoder (Dolfin), which significantly improves the modeling capability with reduced complexity compared to existing methods. Dolfin employs a Transformer-based diffusion process to model layout generation. In addition to an efficient bi-directional (non-causal joint) sequence representation, we further propose an autoregressive diffusion model (Dolfin-AR) that is especially adept at capturing rich semantic correlations for the neighboring objects, such as alignment, size, and overlap. When evaluated against standard generative layout benchmarks, Dolfin notably improves performance across various metrics (fid, alignment, overlap, MaxIoU and DocSim scores), enhancing transparency and interoperability in the process. Moreover, Dolfin's applications extend beyond layout generation, making it suitable for modeling geometric structures, such as line segments. Our experiments present both qualitative and quantitative results to demonstrate the advantages of Dolfin

Interfacial Properties of Monolayer and Bilayer MoS2 Contacts with Metals: Beyond the Energy Band Calculations

Although many prototype devices based on two-dimensional (2D) MoS2 have been fabricated and wafer scale growth of 2D MoS2 has been realized, the fundamental nature of 2D MoS2-metal contacts has not been well understood yet. We provide a comprehensive ab initio study of the interfacial properties of a series of monolayer (ML) and bilayer (BL) MoS2-metal contacts (metal = Sc, Ti, Ag, Pt, Ni, and Au). A comparison between the calculated and observed Schottky barrier heights (SBHs) suggests that many-electron effects are strongly suppressed in channel 2D MoS2 due to a charge transfer. The extensively adopted energy band calculation scheme fails to reproduce the observed SBHs in 2D MoS2-Sc interface. By contrast, an ab initio quantum transport device simulation better reproduces the observed SBH in the two types of contacts and highlights the importance of a higher level theoretical approach beyond the energy band calculation in the interface study. BL MoS2-metal contacts have a reduced SBH than ML MoS2-metal contacts due to the interlayer coupling and thus have a higher electron injection efficiency.Comment: 36 pages, 13 figures, 3 table

Does P-type Ohmic Contact Exist in WSe2-metal Interfaces?

Formation of low-resistance metal contacts is the biggest challenge that masks the intrinsic exceptional electronic properties of 2D WSe2 devices. We present the first comparative study of the interfacial properties between ML/BL WSe2 and Sc, Al, Ag, Au, Pd, and Pt contacts by using ab initio energy band calculations with inclusion of the spin-orbital coupling (SOC) effects and quantum transport simulations. The interlayer coupling tends to reduce both the electron and hole Schottky barrier heights (SBHs) and alters the polarity for WSe2-Au contact, while the SOC chiefly reduces the hole SBH. In the absence of the SOC, Pd contact has the smallest hole SBH with a value no less than 0.22 eV. Dramatically, Pt contact surpasses Pd contact and becomes p-type Ohmic or quasi-Ohmic contact with inclusion of the SOC. Our study provides a theoretical foundation for the selection of favorable metal electrodes in ML/BL WSe2 devices

The role played by ailanthone in inhibiting bone metastasis of breast cancer by regulating tumor-bone microenvironment through the RANKL-dependent pathway

Introduction: Bone metastasis of breast cancer (BC) is a process in which the disruption of the bone homeostatic microenvironment leads to an increase in osteoclast differentiation. Ailanthus altissima shows an inhibitory effect on osteoclast differentiation. Ailanthone (AIL) refers to a natural compound isolated from Ailanthus altissima, a Chinese herbal medicine, and has effective anti-tumor activity in numerous cell lines. Its impact on bone metastases for BC is yet unclear.Methods: We measured the effect of AIL on MDA-MB-231 cells by wound healing experiments, Transwell and colony formation experiment. Using the Tartrate-resistant Acid Phosphatase (TRAP) staining tests, filamentous (F-actin) staining and bone resorption test to detect the effect of AIL on the osteoclast cell differentiation of the Bone Marrow-derived Macrophages (BMMs), activated by the MDA-MB-231 cell Conditioned Medium (MDA-MB-231 CM) and the Receptor Activator of Nuclear factor-κB Ligand (RANKL),and to explore its possibility Mechanisms. In vivo experiments verified the effect of AIL on bone destruction in breast cancer bone metastasis model mice.Results:In vitro, AIL significantly decrease the proliferation, migration and infiltration abilities of MDA-MB-231 cells at a safe concentration, and also reduced the expression of genes and proteins involved in osteoclast formation in MDA-MB-231 cells. Osteoclast cell differentiation of the BMMs, activated by MDA-MB-231 CM and RANKL, were suppressed by AIL in the concentration-dependent manner. Additionally, it inhibits osteoclast-specific gene and protein expression. It was noted that AIL inhibited the expression of the osteoclast differentiation-related cytokines RANKL and interleukin-1β (IL-1β) that were secreted by the MDA-MB-231 cells after upregulating the Forkhead box protein 3 (FOXP3) expression. Furthermore, AIL also inhibits the expression of the Mitogen-Activated Protein Kinase (MAPK), Phosphoinositide 3-kinase (PI3K)/protein kinase B (AKT), and Nuclear factor-κB Ligand (NF-κB) signaling pathways, which then suppresses the MDA-MB-231CM-induced development of Osteoclasts.Conclusion: Our study shows that AIL blocks osteoclast differentiation in the bone metastasis microenvironment by inhibiting cytokines secreted by BC cells, which may be a potential agent for the treatment of BC and its secondary bone metastasis

Graphdiyne-metal contacts and graphdiyne transistors

Graphdiyne is prepared on metal surface, and making devices out of it also inevitably involves contact with metals. Using density functional theory with dispersion correction, we systematically studied for the first time the interfacial properties of graphdiyne contacting with a series of metals (Al, Ag, Cu, Au, Ir, Pt, Ni, and Pd). Graphdiyne is in an n-type Ohmic or quasi-Ohmic contact with Al, Ag, and Cu, while it is in a Schottky contact with Au (at source/drain interface), Pd, Pt, Ni, and Ir (at source/drain-channel interface), with high Schottky barrier heights of 0.39, 0.21 (n-type), 0.30, 0.41, and 0.45 (p-type) eV, respectively. A graphdiyne field effect transistor (FET) with Al electrodes is simulated by using quantum transport calculations. This device exhibits an on-off ratio up to 104 and a very large on-state current of 1.3 * 104 mA/mm in a 10 nm channel length. Thus, a new prospect is opened up for graphdiyne in high performance nanoscale devices.Comment: 27 pages, 9 figure

Diameter effect on the heat transfer of supercritical hydrocarbon fuel in horizontal tubes under turbulent conditions

This document is the Accepted Manuscript version of the following article: Zeyuan Cheng, Zhi Tao, Jianqin Zhu, and Hongwei Wu, ‘Diameter effect on the heat transfer of supercritical hydrocarbon fuel in horizontal tubes under turbulent conditions’, Applied Thermal Engineering, Vol. 134: 39-53, April 2018. Under embargo until 31 January 2019. The final, definitive version is available online at: https://doi.org/10.1016/j.applthermaleng.2018.01.105This article presented a numerical investigation of supercritical heat transfer of the hydrocarbon fuel in a series of horizontal tubes with different diameters. The Reynolds averaging equations of mass, momentum and energy with the LS low-Reynolds number turbulence model have been solved using the pressure-based segregated solver based on the finite volume method. For the purpose of comparison, a four-species surrogate model and a ten-species surrogate model of the aviation kerosene RP-3 (Rocket Propellant 3) were tested against the published experimental data. In the current study, the tube diameter varied from 2 mm to 10 mm and the pressure was 3 MPa with heat flux to mass flux ratios ranging from 0.25 to 0.71 kJ/kg. It was found that the buoyancy has significant effect on the wall temperature non-uniformity in the horizontal tube. With the increase of the diameter, the buoyancy effect enhances and the thermal-induced acceleration effect reduces. The buoyancy effect makes wall temperature at the top and bottom generatrices of the horizontal tube increase and decrease, respectively. Due to the coupled effect of the buoyancy and thermal-induced acceleration caused by the significant change of the properties, as the diameter increases, the heat transfer deteriorates dramatically at the top generatrix but remains almost unchanged at the bottom generatrix at high heat flux to mass flux ratio. Heat transfer enhancement is observed at low heat flux to mass flux ratio when the tube diameter is less than 6 mm. Moreover, the safety analysis has been performed in order to optimally design the supercritical cooling system.Peer reviewe