UC Berkeley Previously Published Works

Deep Generative Models for Fast Photon Shower Simulation in ATLAS

(2024)

Abstract: The need for large-scale production of highly accurate simulated event samples for the extensive physics programme of the ATLAS experiment at the Large Hadron Collider motivates the development of new simulation techniques. Building on the recent success of deep learning algorithms, variational autoencoders and generative adversarial networks are investigated for modelling the response of the central region of the ATLAS electromagnetic calorimeter to photons of various energies. The properties of synthesised showers are compared with showers from a full detector simulation using geant4. Both variational autoencoders and generative adversarial networks are capable of quickly simulating electromagnetic showers with correct total energies and stochasticity, though the modelling of some shower shape distributions requires more refinement. This feasibility study demonstrates the potential of using such algorithms for ATLAS fast calorimeter simulation in the future and shows a possible way to complement current simulation techniques.

Software Performance of the ATLAS Track Reconstruction for LHC Run 3

(2024)

Charged particle reconstruction in the presence of many simultaneous proton–proton (pp) collisions in the LHC is a challenging task for the ATLAS experiment’s reconstruction software due to the combinatorial complexity. This paper describes the major changes made to adapt the software to reconstruct high-activity collisions with an average of 50 or more simultaneous pp interactions per bunch crossing (pile-up) promptly using the available computing resources. The performance of the key components of the track reconstruction chain and its dependence on pile-up are evaluated, and the improvement achieved compared to the previous software version is quantified. For events with an average of 60pp collisions per bunch crossing, the updated track reconstruction is twice as fast as the previous version, without significant reduction in reconstruction efficiency and while reducing the rate of combinatorial fake tracks by more than a factor two.

Sodium Carbonate ion complexes modify water structure at electrode interfaces

(2024)

Water structure near electrode interfaces may play an important role in controlling CO2 electroreduction. Using plasmon-enhanced vibrational sum frequency generation spectroscopy, we demonstrate the emergence of an interfacial water subpopulation with large electric fields along their OH bonds, when Na2CO3 ions are present near the electrode under applied potential. With molecular dynamics simulations, we show that the approach of aqueous Na2CO3 to electrodes is coupled to the formation of structured and oriented ion complexes, and that the emergent water population is associated with the first solvation shell of these complexes. This water subpopulation is seen even when the sole source of CO32− is its in-situ generation from CO2, indicating that the interfacial species investigated here are likely ubiquitous in CO2 electroreduction contexts.

Integration of genome-scale metabolic model with biorefinery process model reveals market-competitive carbon-negative sustainable aviation fuel utilizing microbial cell mass lipids and biogenic CO2

(2024)

Producing scalable, economically viable, low-carbon biofuels or biochemicals hinges on more efficient bioconversion processes. While microbial conversion can offer robust solutions, the native microbial growth process often redirects a large fraction of carbon to CO2 and cell mass. By integrating genome-scale metabolic models with techno-economic and life cycle assessment models, this study analyzes the effects of converting cell mass lipids to hydrocarbon fuels, and CO2 to methanol on the facility’s costs and life-cycle carbon footprint. Results show that upgrading microbial lipids or both microbial lipids and CO2 using renewable hydrogen produces carbon-negative bisabolene. Additionally, on-site electrolytic hydrogen production offers a supply of pure oxygen to use in place of air for bioconversion and fuel combustion in the boiler. To reach cost parity with conventional jet fuel, renewable hydrogen needs to be produced at less than $2.2 to $3.1/kg, with a bisabolene yield of 80% of the theoretical yield, along with cell mass and CO2 yields of 22 wt% and 54 wt%, respectively. The economic combination of cell mass, CO2, and bisabolene yields demonstrated in this study provides practical insights for prioritizing research, selecting suitable hosts, and determining necessary engineered production levels.

Machine-learning-assisted long-term G functions for bidirectional aquifer thermal energy storage system operation

(2024)

Optimization of aquifer thermal energy storage (ATES) performance in a building system is an important topic for maximizing the seasonal offset between energy demand and supply and minimizing the building's primary energy consumption. To evaluate ATES performance with bidirectional operation, this study develops an analytical solution-based model to simulate the spatiotemporal thermal response in an aquifer. The model consists of three temperature response functions, similar to the G functions in borehole thermal energy storage (BTES), to estimate the transient temperature profile in the aquifer during seasonally varying injection and extraction of hot/cold water. Applying machine learning (ML) based data classification and regression techniques to the results of a series of finite element (FE) benchmark simulations of typical ATES configurations, model input parameters are linked to the subsurface thermal, hydrogeological, and ATES operational properties. Compared to the benchmark simulation results, the errors of the proposed model in estimating the annual energy storage and locating the thermally affected area are about 3 % and 1 %, respectively. The model was applied to a previous short-term case study, and the error in the transient production temperature estimation is about 1 %. The long-term heat recovery ratio estimated from the model also compares well to those calculated from the previous study and the validated numerical model. Because of its fast computation, the proposed model can be coupled with the individual building system simulation and used for preliminary ATES design, and this will allow for greater exploration of ATES operational space and, therefore, better choices of ATES operating conditions. The proposed model can also be coupled with the district heating and cooling network simulation for computationally efficient city-scale long-term ATES potential assessment.

Exceptional cryogenic-to-ambient impact toughness of a low carbon micro-alloyed steel with a multi-heterogeneous structure

(2024)

A low-carbon micro-alloyed (LCMA) steel with a body-centered cubic (bcc) crystal structure suitable for extremely low temperatures was developed by overcoming the intrinsic ductile-to-brittle transition in bcc alloys at cryogenic temperatures. The excellent cryogenic-to-ambient impact toughness in the LCMA rolled plate results from its heterogeneous microstructure, which gradually changes from bamboo-like ultrafine grains (∼ 1.1 μm) on the surface to relatively equiaxed coarse grains in the core (∼ 3.4 μm), accompanied by a distinct texture gradient variation. The heterostructured LCMA steel displays a cryogenic impact toughness of ∼200 J/cm2 at 77 K, which is 24 times higher than the coarse-grained LCMA steel. Such high impact toughness of heterostructured LCMA arises from the coordinated deformation mechanisms over different length-scales coupled with delamination toughening. At 77 K, the heterostructured steel plate deforms by forming cellular sub-structures at the core to the surface, which refines the microstructure and promotes hetero-deformation induced (HDI) hardening to improve intrinsic toughening. Moreover, the subsequent delamination process induces extrinsic toughening by shielding and blunting the cracks, with the local plane-stress conditions induced by delamination promoting ductile fracture of the coarse grains in the core regions. This low alloy steel with its heterogeneous microstructure exhibits extraordinary impact toughness at cryogenic temperatures highlights the possibility of materials design strategies for sustainable development.

Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond.

(2024)

Water is often the testing ground for new, advanced force fields. While advanced functional forms for intermolecular interactions have been integral to the development of accurate water models, less attention has been paid to a transferable model for intramolecular valence terms. In this work, we present a one-body energy and dipole moment surface model, named 1B-UCB, that is simple yet accurate and can be feasibly adapted for both standard and advanced potentials. 1B-UCB for water is comparable in accuracy to those with much more complex functional forms, despite having drastically fewer parameters. The parametrization protocol has been implemented as part of the Q-Force automated workflow and requires only a quantum mechanical Hessian calculation as reference data, hence allowing it to be easily extended to a variety of molecular systems beyond water, which we demonstrate on a selection of small molecules with different symmetries.

Eliminating malaria vectors with precision-guided sterile males.

(2024)

Controlling the principal African malaria vector, the mosquito Anopheles gambiae, is considered essential to curtail malaria transmission. However, existing vector control technologies rely on insecticides, which are becoming increasingly ineffective. Sterile insect technique (SIT) is a powerful suppression approach that has successfully eradicated a number of insect pests, yet the A. gambiae toolkit lacks the requisite technologies for its implementation. SIT relies on iterative mass releases of nonbiting, nondriving, sterile males which seek out and mate with monandrous wild females. Once mated, females are permanently sterilized due to mating-induced refractoriness, which results in population suppression of the subsequent generation. However, sterilization by traditional methods renders males unfit, making the creation of precise genetic sterilization methods imperative. Here, we introduce a vector control technology termed precision-guided sterile insect technique (pgSIT), in A. gambiae for inducible, programmed male sterilization and female elimination for wide-scale use in SIT campaigns. Using a binary CRISPR strategy, we cross separate engineered Cas9 and gRNA strains to disrupt male-fertility and female-essential genes, yielding >99.5% male sterility and >99.9% female lethality in hybrid progeny. We demonstrate that these genetically sterilized males have good longevity, are able to induce sustained population suppression in cage trials, and are predicted to eliminate wild A. gambiae populations using mathematical models, making them ideal candidates for release. This work provides a valuable addition to the malaria genetic biocontrol toolkit, enabling scalable SIT-like confinable, species-specific, and safe suppression in the species.

The present and future of QCD

(2024)

This White Paper presents an overview of the current status and future perspective of QCD research, based on the community inputs and scientific conclusions from the 2022 Hot and Cold QCD Town Meeting. We present the progress made in the last decade toward a deep understanding of both the fundamental structure of the sub-atomic matter of nucleon and nucleus in cold QCD, and the hot QCD matter in heavy ion collisions. We identify key questions of QCD research and plausible paths to obtaining answers to those questions in the near future, hence defining priorities of our research over the coming decades.

Anthropogenic heat from buildings in Los Angeles County: A simulation framework and assessment

(2024)

Anthropogenic heat (AH), i.e., waste heat from buildings to the ambient environment, increases urban air temperature and contributes to the urban heat island effect, which leads to more air-conditioning energy use and higher associated waste heat during summer, forming a positive feedback loop. This study used a bottom-up simulation approach to develop a dataset of the annual hourly AH profiles for 1.7 million buildings in Los Angeles (LA) County for the year 2018 aggregated at three spatial resolutions: 450 m, 12 km, and the census tract. Building AH exhibits strong seasonal and diurnal patterns, as well as large spatial variations across the urban areas. Building AH peaks in May and reaches a maximum of 878 W/m2 within one of several AH hotspots in the region. Among the three major AH components (surface convection, heat rejection from HVAC systems, and zonal air exchange), the surface convection component is the largest, accounting for 78% of the total building AH across LA County. Higher AH is attributed to large building density, a high percentage of industrial buildings, and older building stock. While AH peaks during the day, the resulting ambient temperature increases are much larger during the night. During the July 2018 heatwave in LA County, building AH (excluding the surface component) leads to a daily maximum ambient temperature increase of up to 0.6 °C and a daily minimum ambient temperature increase of up to 2.9 °C. It is recommended that reducing summer building AH should be considered by policy makers in developing mitigation measures for cities to transition to clean energy while improving heat resilience.