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| 1 | Machine-learning driven global optimization of surface adsorbate geometries显示文摘The adsorption energies of molecular adsorbates on catalyst surfaces are key descriptors in computational catalysis research.For the relatively large reaction intermediates frequently encountered,e.g.,in syngas conversion,a multitude of possible binding motifs leads to complex potential energy surfaces(PES),however.This implies that finding the optimal structure is a difficult global optimization problem,which leads to significant uncertainty about the stability of many intermediates.To tackle this issue,we present a global optimization protocol for surface adsorbate geometries which trains a surrogate machine learning potential on-the-fly.The approach is applicable to arbitrary surface models and adsorbates and minimizes both human intervention and the number of required DFT calculations by iteratively updating the training set with configurations explored by the algorithm.We demonstrate the efficiency of this approach for a diverse set of adsorbates on the Rh(111)and(211)surfaces. | Hyunwook Jung Lena Sauerland Sina Stocker Karsten Reuter Johannes T.Margraf | 2023 | npj Computational Materials2023，，1： | 2 |
| 2 | Injection Strategy in Natural Gas–Diesel Dual-Fuel Premixed Charge Compression Ignition Combustion under Low Load Conditions显示文摘Dual-fuel premixed charge compression ignition (DF-PCCI) combustion has been proven to be a viable alternative to conventional diesel combustion in heavy-duty compression ignition engines due to its low nitrogen oxides (NOx) and particulate matter (PM) emissions. When natural gas (NG) is applied to a DF-PCCI engine, its low reactivity reduces the maximum pressure rise rate under high loads. However, the NG–diesel DF-PCCI engine suffers from low combustion efficiency under low loads. In this study, an injection strategy of fuel supply (NG and diesel) in a DF-PCCI engine was investigated in order to reduce both the fuel consumption and hydrocarbon (HC) and carbon monoxide (CO) emissions under low load conditions. A variation in the NG substitution and diesel start of energizing (SOE) was found to effectively control the formation of the fuel–air mixture. A double injection strategy of diesel was implemented to adjust the local reactivity of the mixture. Retardation of the diesel pilot SOE and a low fraction of the diesel pilot injection quantity were favorable for reducing the combustion loss. The introduction of exhaust gas recirculation (EGR) improved the fuel economy and reduced the NOx and PM emissions below Euro VI regulations by retarding the combustion phasing. The combination of an NG substitution of 40%, the double injection strategy of diesel, and a moderate EGR rate effectively improved the combustion efficiency and indicated efficiency, and reduced the HC and CO emissions under low load conditions. | Hyunwook Park Euijoon Shim Choongsik Bae | 2019 | Engineering2019，5，3： | 2 |
| 3 | Region-of-interest coding based on set partitioning in hierarchical trees显示文摘 | Keun-hyeong Park HyunWook Park | 2002 | IEEE Trans Circuits Syst Video Technol2002，12，2： | 1 |
| 4 | L/M-Fold image resizing in block-DCT domain using symmetric convolution 显示文摘 | HyunWook Park YoungSeo Park Seung-Kyun Oh | 2003 | IEEE Transactions Image Processing2003，12，12： | 1 |
| 5 | Active contour model with gradient directional information:directional snake显示文摘 | Hyunwook Park Schopflin Todd Yognin Kim | 2001 | IEEE Transactions on Circuits and Systems for Video Technology2001，11，2： | 1 |
| 6 | A mul- tiresolutional coding method based on SPIHT 显示文摘 | Keun-hyeong Park Chul Soo Lee HyunWook Park | 2002 | Signal pro- cessingImage communication2002，，17： | 1 |
| 7 | Discrete fracture mc:deling of as- phalt concrete显示文摘 | Hyunwook Kim | 2009 | Int J Solids Struct2009，46，13： | 1 |
| 8 | Discrete fracture mo- deling of asphalt concrete 显示文摘 | Hyunwook Kim Buttlar William G | 2009 | Int J Solids Struct2009，46，13： | 1 |
| 9 | Region of interest coding based on set partitioning in Hierarchical trees显示文摘 | Keun-hyeong Park and HyunWook Park | 2002 | IEEE Trans on Circuits Syst Video Technol2002，12，2： | 1 |
| 10 | A multiresolutional coding method based on SPIHT 显示文摘 | Keun-hyeong Park Chul Soo Lee HyunWook Park | 2002 | Signal Processing: Image Communication2002，，17： | 1 |
| 11 | A multiresolutional coding method based on SPIHT显示文摘 | Park Keun-hyeong Lee Chul Soo Park HyunWook | 2002 | Signal Processing:Image Communication2002，，17： | 1 |
| 12 | Region-of-interest coding based on set partitioning in hierarchical trees显示文摘 | Park Keun-hyeong Park HyunWook | 2002 | IEEE Transactions on Circuits and Systems for Video Technology2002，12，2： | 1 |
| 13 | Development of a double-torsion frac- ture test to predict channelized crack behaviors of asphalt concrete 显示文摘 | Hyunwook K Manfred N P | 2012 | Construction and Building Materials2012，26，1： | 1 |
| 14 | Segmentation of forward-looking infrared image using fuzzy thresholding and edge detection 显示文摘 | Sun-gu SUN Hyunwook PARK | 2001 | Optical Engineering2001，40，11： | 1 |
| 15 | Active contour model with gradient directional information: directional snake 显示文摘 | Park HyunWook Schoepflin T Kim Yongmin | 2001 | IEEE Transactions on Circuits and Systems for Video Technology2001，11，2： | 1 |
| 16 | Numerical and experimental analysis for the interlayer behavior of double-layered asphalt pavement specimens显示文摘 | HYUNWOOK K MARTIN A RAAB C | 2011 | Journal of Materials in Civil Engineering2011，23，1： | 1 |
| 17 | Molecular scale electronic devices using single molecules and molecular monolayers显示文摘 | Jong Yeog Son Hyunwook Song | 2013 | Current Applied Physics2013，，： | 1 |
| 18 | Development of a double?torsion fracture test to predict channelized crack behaviors of asphalt concrete显示文摘 | HYUNWOOK K MANFRED N P | 2012 | Construction and Building Materials2012，，26： | 1 |
| 19 | Discrete fracture modeling of asphalt concrete显示文摘 | Hyunwook Kim William G. Buttlar | 2009 | International Journal of Solids and Structures2009，，13： | 1 |
| 20 | Mesh-independent fracture modeliag for overlay pavement system under heavy aircraft gear loadings 显示文摘 | Hyunwook Kim Buttlar William G Chou Katie F | 2010 | Journal of Transportation Engineering2010，136，4： | 1 |
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