论文标题
使用二元选择模型对催化剂材料进行比较评估
Comparative evaluation of catalyst materials using a binary choice model
论文作者
论文摘要
算法和硬件的进步使计算机能够设计新材料原子原子。但是，为了使这些计算机生成的材料真正解决社会重要性的问题，例如清洁能源的产生，它们具有卓越的物理特性是不够的。对他们而言，尽可能多的用户采用也很重要。在本文中，我们提出了一个简单的二进制选择模型，用于根据消费者的喜好比较催化剂材料。该模型考虑了一群公用事业最大化剂，他们通过比较催化速度与销售价格进行了比较，选择了两种材料之一。通过数值仿真和分析定理的混合，我们表征了模型在各种消费者行为方面的预测。我们还展示了该模型如何用作制定降低催化剂价格以提高其市场份额的制定政策的指南。这项工作是了解材料特性在设计新材料时应如何与生产成本和消费者需求平衡的第一步，这可能有助于促进绿色材料在社会中的传播。
Advances in algorithms and hardware have enabled computers to design new materials atom-by-atom. However, in order for these computer-generated materials to truly address problems of societal importance, such as clean energy generation, it is not enough for them to have superior physical properties. It is also important for them to be adopted by as many users as possible. In this paper, we present a simple binary choice model for comparing catalyst materials on the basis of consumer preferences. This model considers a population of utility maximisers who select one of two materials by comparing catalytic turnover rates with sales prices. Through a mixture of numerical simulation and analytic theorems, we characterise the predictions of the model in a variety of regimes of consumer behavior. We also show how the model can be used as a guide for crafting policies for lowering catalyst prices in order to improve their market shares. This work represents a first step towards understanding how material properties should be balanced against production costs and consumer demand when designing new materials, an intellectual advance which may facilitate the spread of green materials in society.
